*HEADER    MEMBRANE PROTEIN                        29-OCT-99   1D9O              
*TITLE     SOLUTION STRUCTURE OF CECROPIN A(1-8)-MAGAININ 2(1-12)                
*TITLE    2 HYBRID PEPTIDE ANALOGUE( P3)                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CECROPIN A(1-8)-MAGAININ 2 HYBRID PEPTIDE                  
*COMPND   3 ANALOGUE;                                                            
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: XENOPUS LAEVIS + HYALOPHORA CECROPIA;           
*SOURCE   3 ORGANISM_COMMON: AFRICAN CLAWED FROG + CECROPIA MOTH;                
*SOURCE   4 CELLULAR_LOCATION: MEMBRANE                                          
*KEYWDS    RANDOM-HINGE-HELIX                                                    
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    D.OH, Y.KIM                                                           
*REVDAT   1   12-NOV-99 1D9O    0

! 
assign (resid    3 and  name HN   )(resid    4 and  name HN   ) 4.0 2.2 1.0 
assign (resid    4 and  name HN   )(resid    5 and  name HN   ) 2.5 0.7 0.2 
assign (resid    7 and  name HN   )(resid    6 and  name HN   ) 3.0 1.2 0.3 
assign (resid    8 and  name HN   )(resid    7 and  name HN   ) 4.0 2.2 1.0 
assign (resid    9 and  name HN   )(resid    8 and  name HN   ) 3.0 1.2 0.3 
assign (resid    9 and  name HN   )(resid   10 and  name HN   ) 3.0 1.2 0.3 
assign (resid   10 and  name HN   )(resid   11 and  name HN   ) 2.5 0.7 0.2 
assign (resid   12 and  name HN   )(resid   11 and  name HN   ) 3.0 1.2 0.3 
assign (resid   12 and  name HN   )(resid   13 and  name HN   ) 4.0 2.2 1.0 
assign (resid   14 and  name HN   )(resid   13 and  name HN   ) 4.0 2.2 1.0 
assign (resid   15 and  name HN   )(resid   14 and  name HN   ) 2.5 0.7 0.2 
assign (resid   15 and  name HN   )(resid   16 and  name HN   ) 4.0 2.2 1.0 
assign (resid   17 and  name HN   )(resid   16 and  name HN   ) 4.0 2.2 1.0 
assign (resid   17 and  name HN   )(resid   18 and  name HN   ) 3.0 1.2 0.3 
assign (resid   18 and  name HN   )(resid   19 and  name HN   ) 4.0 2.2 1.0 
assign (resid   20 and  name HN   )(resid   19 and  name HN   ) 4.0 2.2 1.0 
! 
assign (resid    3 and  name HN   )(resid    2 and  name HA   ) 2.5 0.7 0.2 
assign (resid    4 and  name HN   )(resid    3 and  name HA   ) 2.5 0.7 0.2 
assign (resid    5 and  name HN   )(resid    4 and  name HA   ) 3.0 1.2 0.3 
assign (resid    6 and  name HN   )(resid    5 and  name HA   ) 4.0 2.2 1.0 
assign (resid    7 and  name HN   )(resid    6 and  name HA   ) 4.0 2.2 1.0 
assign (resid    8 and  name HN   )(resid    7 and  name HA   ) 2.5 0.7 0.2 
assign (resid    9 and  name HN   )(resid    8 and  name HA   ) 4.0 2.2 1.0 
assign (resid   10 and  name HN   )(resid    9 and  name HA1  ) 3.0 1.2 0.3 
assign (resid   10 and  name HN   )(resid    9 and  name HA2  ) 3.0 1.2 0.3 
assign (resid   11 and  name HN   )(resid   10 and  name HA   ) 3.0 1.2 0.3 
assign (resid   12 and  name HN   )(resid   11 and  name HA1  ) 3.0 1.2 0.3 
assign (resid   12 and  name HN   )(resid   11 and  name HA2  ) 3.0 1.2 0.3 
assign (resid   14 and  name HN   )(resid   13 and  name HA   ) 3.0 1.2 0.3 
assign (resid   15 and  name HN   )(resid   14 and  name HA   ) 3.0 1.2 0.3 
assign (resid   16 and  name HN   )(resid   15 and  name HA   ) 4.0 2.2 1.0 
assign (resid   17 and  name HN   )(resid   16 and  name HA   ) 3.0 1.2 0.3 
assign (resid   18 and  name HN   )(resid   17 and  name HA   ) 4.0 2.2 1.0 
assign (resid   19 and  name HN   )(resid   18 and  name HA   ) 3.0 1.2 0.3 
assign (resid   20 and  name HN   )(resid   19 and  name HA   ) 4.0 2.2 1.0 
! 
assign (resid    4 and  name HN   )(resid    3 and  name HB#  ) 4.0 2.2 2.0 
assign (resid    5 and  name HN   )(resid    4 and  name HB#  ) 4.0 2.2 2.0 
assign (resid    9 and  name HN   )(resid    8 and  name HB   ) 3.0 1.2 0.3 
assign (resid    9 and  name HN   )(resid    8 and  name HG2# ) 4.0 2.2 2.5 
assign (resid   11 and  name HN   )(resid   10 and  name HB   ) 3.0 1.2 0.3 
assign (resid   11 and  name HN   )(resid   10 and  name HG2# ) 4.0 2.2 2.5 
assign (resid   14 and  name HN   )(resid   13 and  name HB1  ) 3.0 1.2 0.3 
assign (resid   14 and  name HN   )(resid   13 and  name HB2  ) 3.0 1.2 0.3 
assign (resid   15 and  name HN   )(resid   14 and  name HB#  ) 3.0 1.2 1.3 
assign (resid   15 and  name HN   )(resid   14 and  name HG#  ) 4.0 2.2 2.0 
assign (resid   16 and  name HN   )(resid   15 and  name HB2  ) 3.0 1.2 0.3 
assign (resid   16 and  name HN   )(resid   15 and  name HB1  ) 3.0 1.2 0.3 
assign (resid   17 and  name HB#  )(resid   16 and  name HA   ) 4.0 2.2 2.0 
assign (resid   17 and  name HN   )(resid   16 and  name HB#  ) 3.0 1.2 1.3
assign (resid   18 and  name HN   )(resid   17 and  name HB#  ) 3.0 1.2 1.3 
assign (resid   19 and  name HN   )(resid   18 and  name HB#  ) 4.0 2.2 2.0 
assign (resid   20 and  name HD#  )(resid   19 and  name HB#  ) 3.0 1.2 3.3 
assign (resid   20 and  name HD#  )(resid   19 and  name HG#  ) 4.0 2.2 4.0 
! 
assign (resid    7 and  name HN   )(resid    5 and  name HA   ) 4.0 2.2 1.0 
assign (resid   18 and  name HN   )(resid   16 and  name HA   ) 4.0 2.2 1.0 
assign (resid   19 and  name HN   )(resid   17 and  name HB#  ) 4.0 2.2 1.0 
! 
assign (resid   11 and  name HN   )(resid    8 and  name HN   ) 4.0 2.2 1.0 
assign (resid   11 and  name HN   )(resid    8 and  name HA   ) 4.0 2.2 1.0 
assign (resid   13 and  name HN   )(resid   10 and  name HA   ) 4.0 2.2 1.0 
assign (resid   13 and  name HB2  )(resid   10 and  name HA   ) 4.0 2.2 1.0 
assign (resid   13 and  name HB1  )(resid   10 and  name HA   ) 4.0 2.2 1.0 
assign (resid   15 and  name HB1  )(resid   12 and  name HA   ) 4.0 2.2 1.0 
assign (resid   15 and  name HB2  )(resid   12 and  name HA   ) 4.0 2.2 1.0 
assign (resid   16 and  name HN   )(resid   13 and  name HA   ) 4.0 2.2 1.0 
assign (resid   17 and  name HB#  )(resid   14 and  name HA   ) 3.0 1.2 1.3 
assign (resid   19 and  name HN   )(resid   16 and  name HA   ) 4.0 2.2 1.0 
! 
assign (resid   19 and  name HN   )(resid   15 and  name HA   ) 4.0 2.2 1.0 
! 
assign (resid   15 and  name HN   )(resid   12 and  name HA   ) 4.0 2.2 1.0 
assign (resid   17 and  name HN   )(resid   14 and  name HA   ) 4.0 2.2 1.0 
assign (resid   18 and  name HN   )(resid   15 and  name HA   ) 4.0 2.2 1.0 
assign (resid   20 and  name HN   )(resid   17 and  name HA   ) 4.0 2.2 1.0 
!
assign (resid    2 and  name HA   )(resid    2 and  name HB#  ) 4.0 2.2 2.5 
assign (resid    2 and  name HN   )(resid    2 and  name HA   ) 4.0 2.2 1.0 
assign (resid    2 and  name HN   )(resid    2 and  name HB#  ) 4.0 2.2 2.5 
assign (resid    3 and  name HN   )(resid    3 and  name HB#  ) 3.0 1.2 1.3 
assign (resid    3 and  name HN   )(resid    3 and  name HG#  ) 4.0 2.2 2.0 
assign (resid    4 and  name HN   )(resid    4 and  name HG   ) 3.0 1.2 0.3 
assign (resid    4 and  name HN   )(resid    4 and  name HB#  ) 3.0 1.2 1.3 
assign (resid    5 and  name HN   )(resid    5 and  name HB2  ) 3.0 1.2 0.3 
assign (resid    5 and  name HN   )(resid    5 and  name HB1  ) 3.0 1.2 0.3 
assign (resid    5 and  name HN   )(resid    5 and  name HD#  ) 3.0 1.2 2.3 
assign (resid    5 and  name HD#  )(resid    5 and  name HA   ) 3.0 1.2 2.3 
assign (resid    5 and  name HD#  )(resid    5 and  name HB1  ) 3.0 1.2 2.3 
assign (resid    5 and  name HD#  )(resid    5 and  name HB2  ) 4.0 2.2 1.0 
assign (resid    7 and  name HN   )(resid    7 and  name HG#  ) 4.0 2.2 2.0 
assign (resid    8 and  name HN   )(resid    8 and  name HB   ) 2.5 0.7 0.2 
assign (resid    8 and  name HN   )(resid    8 and  name HG2# ) 4.0 2.2 2.5 
assign (resid    8 and  name HN   )(resid    8 and  name HD1# ) 4.0 2.2 2.5 
assign (resid    8 and  name HN   )(resid    8 and  name HG12 ) 3.0 1.2 0.3 
assign (resid    8 and  name HN   )(resid    8 and  name HG11 ) 3.0 1.2 0.3 
assign (resid   10 and  name HN   )(resid   10 and  name HB   ) 2.5 0.7 0.2 
assign (resid   10 and  name HN   )(resid   10 and  name HG12 ) 3.0 1.2 0.3 
assign (resid   10 and  name HN   )(resid   10 and  name HG11 ) 3.0 1.2 0.3 
assign (resid   10 and  name HN   )(resid   10 and  name HG2# ) 3.0 1.2 1.8 
assign (resid   10 and  name HN   )(resid   10 and  name HD1# ) 4.0 2.2 2.5 
assign (resid   12 and  name HN   )(resid   12 and  name HG#  ) 3.0 1.2 1.3 
assign (resid   13 and  name HN   )(resid   13 and  name HB1  ) 2.5 0.7 0.2 
assign (resid   13 and  name HN   )(resid   13 and  name HB2  ) 2.5 0.7 0.2 
assign (resid   13 and  name HD#  )(resid   13 and  name HN   ) 4.0 2.2 3.0 
assign (resid   13 and  name HD#  )(resid   13 and  name HB1  ) 3.0 1.2 2.3 
assign (resid   13 and  name HD#  )(resid   13 and  name HB2  ) 3.0 1.2 2.3 
assign (resid   13 and  name HD#  )(resid   13 and  name HA   ) 2.5 0.7 2.2 
assign (resid   14 and  name HN   )(resid   14 and  name HD2# ) 4.0 2.2 2.5 
assign (resid   14 and  name HN   )(resid   14 and  name HD1# ) 4.0 2.2 2.5 
assign (resid   14 and  name HN   )(resid   14 and  name HG   ) 3.0 1.2 0.3 
assign (resid   15 and  name HN   )(resid   15 and  name HD2  ) 4.0 2.2 1.0 
assign (resid   15 and  name HN   )(resid   15 and  name HB2  ) 4.0 2.2 1.0 
assign (resid   15 and  name HN   )(resid   15 and  name HB1  ) 2.5 0.7 0.2 
assign (resid   15 and  name HD2  )(resid   15 and  name HA   ) 4.0 2.2 1.0 
assign (resid   15 and  name HD2  )(resid   15 and  name HB2  ) 3.0 1.2 0.3 
assign (resid   15 and  name HD2  )(resid   15 and  name HB1  ) 4.0 2.2 1.0 
assign (resid   17 and  name HN   )(resid   17 and  name HB#  ) 2.5 0.7 1.2 
assign (resid   18 and  name HN   )(resid   18 and  name HG#  ) 4.0 2.2 2.0 
assign (resid   18 and  name HN   )(resid   18 and  name HB#  ) 3.0 1.2 1.3 
assign (resid   19 and  name HN   )(resid   19 and  name HG#  ) 4.0 2.2 2.0 
assign (resid   19 and  name HN   )(resid   19 and  name HB#  ) 3.0 1.2 1.3 
assign (resid   20 and  name HN   )(resid   20 and  name HB1  ) 2.5 0.7 0.2 
assign (resid   20 and  name HN   )(resid   20 and  name HB2  ) 3.0 1.2 0.3 
assign (resid   20 and  name HD#  )(resid   20 and  name HB1  ) 3.0 1.2 2.3 
assign (resid   20 and  name HD#  )(resid   20 and  name HB2  ) 3.0 1.2 2.3 
assign (resid   20 and  name HD#  )(resid   20 and  name HA   ) 4.0 2.2 3.0 
!
assign (resid   16 and  name N    )(resid   12 and  name O    ) 3.3 0.8 0.2
assign (resid   18 and  name N    )(resid   14 and  name O    ) 3.3 0.8 0.2
assign (resid   19 and  name N    )(resid   15 and  name O    ) 3.3 0.8 0.2
assign (resid   20 and  name N    )(resid   16 and  name O    ) 3.3 0.8 0.2
assign (resid   16 and  name HN   )(resid   12 and  name O    ) 2.3 0.8 0.2
assign (resid   18 and  name HN   )(resid   14 and  name O    ) 2.3 0.8 0.2
assign (resid   19 and  name HN   )(resid   15 and  name O    ) 2.3 0.8 0.2
assign (resid   20 and  name HN   )(resid   16 and  name O    ) 2.3 0.8 0.2
!
!!Phi
  !!    3
 assign (resid   2 and name c )   (resid   3 and name n ) 
        (resid   3 and name ca)   (resid   3 and name c )  1.0 -157.8 25.0 2
  !!    4
 assign (resid   3 and name c )   (resid   4 and name n ) 
        (resid   4 and name ca)   (resid   4 and name c )  1.0 -156.2 25.0 2
  !!    5
 assign (resid   4 and name c )   (resid   5 and name n ) 
        (resid   5 and name ca)   (resid   5 and name c )  1.0 -77.4 25.0 2
  !!    6
 assign (resid   5 and name c )   (resid   6 and name n ) 
        (resid   6 and name ca)   (resid   6 and name c )  1.0 -155.4 25.0 2
  !!    7
 assign (resid   6 and name c )   (resid   7 and name n ) 
        (resid   7 and name ca)   (resid   7 and name c )  1.0 -157.0 25.0 2
  !!    8
 assign (resid   7 and name c )   (resid   8 and name n ) 
        (resid   8 and name ca)   (resid   8 and name c )  1.0 -152.8 25.0 2
  !!    10 
 assign (resid   9 and name c )   (resid   10 and name n ) 
        (resid   10 and name ca)   (resid   10 and name c )  1.0 -105.0 60.0 2
  !!    12 
 assign (resid   11 and name c )   (resid   12 and name n ) 
        (resid   12 and name ca)   (resid   12 and name c )  1.0 -60.0 25.0 2
  !!    13 
 assign (resid   12 and name c )   (resid   13 and name n ) 
        (resid   13 and name ca)   (resid   13 and name c )  1.0 -60.0 25.0 2
  !!    14 
 assign (resid   13 and name c )   (resid   14 and name n ) 
        (resid   14 and name ca)   (resid   14 and name c )  1.0 -60.0 25.0 2
  !!    15 
 assign (resid   14 and name c )   (resid   15 and name n ) 
        (resid   15 and name ca)   (resid   15 and name c )  1.0 -60.0 25.0 2
  !!    16 
 assign (resid   15 and name c )   (resid   16 and name n ) 
        (resid   16 and name ca)   (resid   16 and name c )  1.0 -87.2 25.0 2
  !!    17 
 assign (resid   16 and name c )   (resid   17 and name n ) 
        (resid   17 and name ca)   (resid   17 and name c )  1.0 -60.0 25.0 2
  !!    18 
 assign (resid   17 and name c )   (resid   18 and name n ) 
        (resid   18 and name ca)   (resid   18 and name c )  1.0 -75.1 25.0 2
  !!    19 
 assign (resid   18 and name c )   (resid   19 and name n ) 
        (resid   19 and name ca)   (resid   19 and name c )  1.0 -60.0 25.0 2
  !!    20 
 assign (resid   19 and name c )   (resid   20 and name n ) 
        (resid   20 and name ca)   (resid   20 and name c )  1.0 -91.7 25.0 2
                                                

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    LYS   1          1H        LYS   1  12.089   5.224  -2.285
    2   2H    LYS   1          2H        LYS   1  12.467   5.088  -0.634
    3   3H    LYS   1          3H        LYS   1  12.326   6.621  -1.354
    4    HA   LYS   1           HA       LYS   1  10.333   6.229  -0.103
    5   1HB   LYS   1          2HB       LYS   1  10.377   6.154  -3.099
    6   2HB   LYS   1          1HB       LYS   1   8.815   6.030  -2.288
    7   1HG   LYS   1          2HG       LYS   1  10.206   8.094  -0.960
    8   2HG   LYS   1          1HG       LYS   1  10.467   8.367  -2.684
    9   1HD   LYS   1          2HD       LYS   1   8.409   9.291  -2.735
   10   2HD   LYS   1          1HD       LYS   1   7.771   7.663  -2.507
   11   1HE   LYS   1          2HE       LYS   1   8.570   8.513   0.064
   12   2HE   LYS   1          1HE       LYS   1   7.718   9.892  -0.658
   13   1HZ   LYS   1          1HZ       LYS   1   5.811   8.709  -0.920
   14   2HZ   LYS   1          2HZ       LYS   1   6.416   7.885   0.438
   15   3HZ   LYS   1          3HZ       LYS   1   6.611   7.227  -1.117
   16    H    ALA   2           H        ALA   2  10.083   3.931  -2.828
   17    HA   ALA   2           HA       ALA   2   8.626   2.032  -1.093
   18   1HB   ALA   2          1HB       ALA   2   9.001   2.631  -3.954
   19   2HB   ALA   2          2HB       ALA   2   7.588   1.983  -3.121
   20   3HB   ALA   2          3HB       ALA   2   8.903   0.906  -3.596
   21    H    LYS   3           H        LYS   3  11.085   2.074  -0.030
   22    HA   LYS   3           HA       LYS   3  12.321  -0.467  -0.997
   23   1HB   LYS   3          2HB       LYS   3  14.547   0.783  -0.422
   24   2HB   LYS   3          1HB       LYS   3  13.743   1.160  -1.945
   25   1HG   LYS   3          2HG       LYS   3  12.968   3.219  -1.185
   26   2HG   LYS   3          1HG       LYS   3  13.037   2.735   0.510
   27   1HD   LYS   3          2HD       LYS   3  15.238   3.295   0.715
   28   2HD   LYS   3          1HD       LYS   3  15.636   2.723  -0.905
   29   1HE   LYS   3          2HE       LYS   3  14.448   4.773  -1.823
   30   2HE   LYS   3          1HE       LYS   3  14.366   5.375  -0.155
   31   1HZ   LYS   3          1HZ       LYS   3  16.445   5.888  -1.641
   32   2HZ   LYS   3          2HZ       LYS   3  16.920   4.331  -1.154
   33   3HZ   LYS   3          3HZ       LYS   3  16.628   5.535   0.008
   34    H    LEU   4           H        LEU   4  10.602  -0.401   1.152
   35    HA   LEU   4           HA       LEU   4  12.447  -0.737   3.483
   36   1HB   LEU   4          2HB       LEU   4   9.828   0.712   3.200
   37   2HB   LEU   4          1HB       LEU   4  10.319   0.068   4.768
   38    HG   LEU   4           HG       LEU   4  12.094   1.853   3.091
   39   1HD1  LEU   4          1HD1      LEU   4  10.787   2.899   5.545
   40   2HD1  LEU   4          2HD1      LEU   4   9.748   2.716   4.132
   41   3HD1  LEU   4          3HD1      LEU   4  11.188   3.730   4.043
   42   1HD2  LEU   4          1HD2      LEU   4  12.221   1.517   6.067
   43   2HD2  LEU   4          2HD2      LEU   4  13.521   1.861   4.926
   44   3HD2  LEU   4          3HD2      LEU   4  12.861   0.230   5.045
   45    H    PHE   5           H        PHE   5   8.990  -1.156   3.234
   46    HA   PHE   5           HA       PHE   5   9.035  -3.814   4.383
   47   1HB   PHE   5          2HB       PHE   5   7.242  -1.797   4.154
   48   2HB   PHE   5          1HB       PHE   5   6.688  -2.827   2.834
   49    HD1  PHE   5           HD1      PHE   5   4.862  -4.109   3.494
   50    HD2  PHE   5           HD2      PHE   5   8.109  -3.517   6.243
   51    HE1  PHE   5           HE1      PHE   5   3.748  -5.602   5.132
   52    HE2  PHE   5           HE2      PHE   5   6.997  -5.013   7.879
   53    HZ   PHE   5           HZ       PHE   5   4.816  -6.056   7.323
   54    H    LYS   6           H        LYS   6   7.074  -5.081   2.690
   55    HA   LYS   6           HA       LYS   6   8.599  -5.506   0.144
   56   1HB   LYS   6          2HB       LYS   6   8.437  -7.898   0.508
   57   2HB   LYS   6          1HB       LYS   6   9.107  -7.177   1.971
   58   1HG   LYS   6          2HG       LYS   6   6.987  -7.287   3.097
   59   2HG   LYS   6          1HG       LYS   6   6.153  -7.731   1.607
   60   1HD   LYS   6          2HD       LYS   6   6.448  -9.760   2.861
   61   2HD   LYS   6          1HD       LYS   6   7.614  -9.806   1.537
   62   1HE   LYS   6          2HE       LYS   6   9.035 -10.343   3.295
   63   2HE   LYS   6          1HE       LYS   6   9.141  -8.574   3.391
   64   1HZ   LYS   6          1HZ       LYS   6   7.267 -10.325   4.892
   65   2HZ   LYS   6          2HZ       LYS   6   7.192  -8.628   4.884
   66   3HZ   LYS   6          3HZ       LYS   6   8.544  -9.419   5.543
   67    H    LYS   7           H        LYS   7   6.013  -4.087   0.854
   68    HA   LYS   7           HA       LYS   7   4.322  -5.502  -1.149
   69   1HB   LYS   7          2HB       LYS   7   3.632  -4.779   1.706
   70   2HB   LYS   7          1HB       LYS   7   2.382  -5.035   0.490
   71   1HG   LYS   7          2HG       LYS   7   3.511  -7.283   0.011
   72   2HG   LYS   7          1HG       LYS   7   4.426  -7.022   1.497
   73   1HD   LYS   7          2HD       LYS   7   2.209  -6.674   2.679
   74   2HD   LYS   7          1HD       LYS   7   1.420  -7.233   1.205
   75   1HE   LYS   7          2HE       LYS   7   2.071  -9.418   1.526
   76   2HE   LYS   7          1HE       LYS   7   3.609  -8.954   2.281
   77   1HZ   LYS   7          1HZ       LYS   7   1.109  -8.225   3.631
   78   2HZ   LYS   7          2HZ       LYS   7   2.629  -8.592   4.297
   79   3HZ   LYS   7          3HZ       LYS   7   1.622  -9.838   3.730
   80    H    ILE   8           H        ILE   8   4.209  -3.868  -2.681
   81    HA   ILE   8           HA       ILE   8   3.396  -1.147  -1.714
   82    HB   ILE   8           HB       ILE   8   5.181  -1.826  -4.069
   83   1HG1  ILE   8          2HG1      ILE   8   5.755  -1.326  -1.165
   84   2HG1  ILE   8          1HG1      ILE   8   6.539  -2.443  -2.276
   85   1HG2  ILE   8          1HG2      ILE   8   3.785   0.388  -3.849
   86   2HG2  ILE   8          2HG2      ILE   8   5.485   0.481  -4.307
   87   3HG2  ILE   8          3HG2      ILE   8   5.001   0.816  -2.645
   88   1HD1  ILE   8          1HD1      ILE   8   7.029   0.481  -1.871
   89   2HD1  ILE   8          2HD1      ILE   8   7.261  -0.183  -3.489
   90   3HD1  ILE   8          3HD1      ILE   8   8.187  -0.823  -2.131
   91    H    GLY   9           H        GLY   9   3.019  -3.699  -4.099
   92   1HA   GLY   9          2HA       GLY   9   1.002  -2.059  -5.553
   93   2HA   GLY   9          1HA       GLY   9   1.734  -3.541  -6.167
   94    H    ILE  10           H        ILE  10   1.135  -4.200  -3.023
   95    HA   ILE  10           HA       ILE  10  -1.558  -5.347  -3.659
   96    HB   ILE  10           HB       ILE  10   0.514  -6.306  -1.673
   97   1HG1  ILE  10          2HG1      ILE  10   0.135  -6.945  -4.606
   98   2HG1  ILE  10          1HG1      ILE  10   1.602  -6.386  -3.804
   99   1HG2  ILE  10          1HG2      ILE  10  -0.842  -8.128  -1.367
  100   2HG2  ILE  10          2HG2      ILE  10  -1.421  -8.108  -3.034
  101   3HG2  ILE  10          3HG2      ILE  10  -2.093  -6.984  -1.851
  102   1HD1  ILE  10          1HD1      ILE  10   2.145  -8.595  -3.749
  103   2HD1  ILE  10          2HD1      ILE  10   0.472  -9.107  -3.973
  104   3HD1  ILE  10          3HD1      ILE  10   1.046  -8.647  -2.370
  105    H    GLY  11           H        GLY  11   0.014  -3.046  -1.769
  106   1HA   GLY  11          2HA       GLY  11  -1.963  -3.318   0.442
  107   2HA   GLY  11          1HA       GLY  11  -0.467  -2.393   0.548
  108    H    LYS  12           H        LYS  12  -1.267  -1.511  -2.349
  109    HA   LYS  12           HA       LYS  12  -2.375   1.040  -1.587
  110   1HB   LYS  12          2HB       LYS  12  -2.477   1.330  -4.065
  111   2HB   LYS  12          1HB       LYS  12  -0.918   0.709  -3.524
  112   1HG   LYS  12          2HG       LYS  12  -1.237  -0.913  -5.080
  113   2HG   LYS  12          1HG       LYS  12  -2.356  -1.607  -3.908
  114   1HD   LYS  12          2HD       LYS  12  -3.475  -1.410  -6.066
  115   2HD   LYS  12          1HD       LYS  12  -4.198  -0.268  -4.932
  116   1HE   LYS  12          2HE       LYS  12  -2.435   1.421  -5.897
  117   2HE   LYS  12          1HE       LYS  12  -2.374   0.290  -7.263
  118   1HZ   LYS  12          1HZ       LYS  12  -4.618   1.899  -6.284
  119   2HZ   LYS  12          2HZ       LYS  12  -4.968   0.363  -6.921
  120   3HZ   LYS  12          3HZ       LYS  12  -4.176   1.523  -7.878
  121    H    PHE  13           H        PHE  13  -3.772  -1.982  -2.752
  122    HA   PHE  13           HA       PHE  13  -6.357  -0.994  -3.481
  123   1HB   PHE  13          2HB       PHE  13  -5.257  -3.225  -3.984
  124   2HB   PHE  13          1HB       PHE  13  -5.636  -3.692  -2.331
  125    HD1  PHE  13           HD1      PHE  13  -7.726  -4.604  -1.816
  126    HD2  PHE  13           HD2      PHE  13  -7.243  -2.346  -5.436
  127    HE1  PHE  13           HE1      PHE  13 -10.027  -5.216  -2.502
  128    HE2  PHE  13           HE2      PHE  13  -9.545  -2.957  -6.124
  129    HZ   PHE  13           HZ       PHE  13 -10.938  -4.392  -4.657
  130    H    LEU  14           H        LEU  14  -5.593  -2.937  -0.643
  131    HA   LEU  14           HA       LEU  14  -7.903  -2.393   0.854
  132   1HB   LEU  14          2HB       LEU  14  -5.045  -2.870   1.751
  133   2HB   LEU  14          1HB       LEU  14  -6.454  -3.019   2.802
  134    HG   LEU  14           HG       LEU  14  -6.393  -4.536   0.211
  135   1HD1  LEU  14          1HD1      LEU  14  -4.610  -4.926   2.523
  136   2HD1  LEU  14          2HD1      LEU  14  -4.487  -5.577   0.888
  137   3HD1  LEU  14          3HD1      LEU  14  -5.524  -6.367   2.076
  138   1HD2  LEU  14          1HD2      LEU  14  -7.784  -4.640   2.859
  139   2HD2  LEU  14          2HD2      LEU  14  -7.536  -6.159   1.996
  140   3HD2  LEU  14          3HD2      LEU  14  -8.446  -4.852   1.238
  141    H    HIS  15           H        HIS  15  -5.115  -0.418   0.293
  142    HA   HIS  15           HA       HIS  15  -5.594   1.490   2.454
  143   1HB   HIS  15          2HB       HIS  15  -3.445   0.908   1.093
  144   2HB   HIS  15          1HB       HIS  15  -4.091   2.020  -0.107
  145    HD1  HIS  15           HD1      HIS  15  -3.423   4.386   0.226
  146    HD2  HIS  15           HD2      HIS  15  -3.392   2.282   3.823
  147    HE1  HIS  15           HE1      HIS  15  -2.604   6.003   1.993
  148    H    SER  16           H        SER  16  -5.940   1.642  -1.098
  149    HA   SER  16           HA       SER  16  -7.302   4.146  -1.181
  150   1HB   SER  16          2HB       SER  16  -6.984   1.756  -2.960
  151   2HB   SER  16          1HB       SER  16  -8.119   3.019  -3.430
  152    HG   SER  16           HG       SER  16  -5.526   3.693  -2.583
  153    H    ALA  17           H        ALA  17  -8.457   0.849  -0.897
  154    HA   ALA  17           HA       ALA  17 -11.241   1.227  -1.211
  155   1HB   ALA  17          1HB       ALA  17 -11.153  -0.979  -0.709
  156   2HB   ALA  17          2HB       ALA  17 -10.579  -0.631   0.922
  157   3HB   ALA  17          3HB       ALA  17  -9.428  -0.777  -0.407
  158    H    LYS  18           H        LYS  18  -9.375   1.243   1.859
  159    HA   LYS  18           HA       LYS  18 -11.614   2.233   3.415
  160   1HB   LYS  18          2HB       LYS  18  -9.410   0.885   4.010
  161   2HB   LYS  18          1HB       LYS  18  -8.741   2.504   4.229
  162   1HG   LYS  18          2HG       LYS  18 -10.746   2.999   5.716
  163   2HG   LYS  18          1HG       LYS  18 -11.100   1.272   5.666
  164   1HD   LYS  18          2HD       LYS  18  -9.703   1.120   7.444
  165   2HD   LYS  18          1HD       LYS  18  -8.410   1.296   6.258
  166   1HE   LYS  18          2HE       LYS  18  -9.648   3.840   7.156
  167   2HE   LYS  18          1HE       LYS  18  -8.692   2.975   8.376
  168   1HZ   LYS  18          1HZ       LYS  18  -7.012   2.653   6.511
  169   2HZ   LYS  18          2HZ       LYS  18  -7.122   4.209   7.186
  170   3HZ   LYS  18          3HZ       LYS  18  -7.848   3.875   5.686
  171    H    LYS  19           H        LYS  19  -9.248   3.680   1.409
  172    HA   LYS  19           HA       LYS  19  -8.938   6.258   2.590
  173   1HB   LYS  19          2HB       LYS  19  -7.965   4.935   0.441
  174   2HB   LYS  19          1HB       LYS  19  -9.133   5.979  -0.370
  175   1HG   LYS  19          2HG       LYS  19  -7.150   7.066   1.633
  176   2HG   LYS  19          1HG       LYS  19  -6.760   6.919  -0.082
  177   1HD   LYS  19          2HD       LYS  19  -9.305   8.276   0.764
  178   2HD   LYS  19          1HD       LYS  19  -7.781   9.165   0.801
  179   1HE   LYS  19          2HE       LYS  19  -8.727   7.654  -1.655
  180   2HE   LYS  19          1HE       LYS  19  -9.072   9.374  -1.384
  181   1HZ   LYS  19          1HZ       LYS  19  -6.491   8.043  -1.813
  182   2HZ   LYS  19          2HZ       LYS  19  -6.534   9.415  -0.812
  183   3HZ   LYS  19          3HZ       LYS  19  -7.053   9.521  -2.427
  184    H    PHE  20           H        PHE  20 -11.058   5.376  -0.154
  185    HA   PHE  20           HA       PHE  20 -12.697   7.780   0.242
  186   1HB   PHE  20          2HB       PHE  20 -12.346   7.204  -2.005
  187   2HB   PHE  20          1HB       PHE  20 -12.496   5.477  -1.686
  188    HD1  PHE  20           HD1      PHE  20 -14.679   8.437  -0.926
  189    HD2  PHE  20           HD2      PHE  20 -14.326   4.596  -2.815
  190    HE1  PHE  20           HE1      PHE  20 -17.080   8.524  -1.550
  191    HE2  PHE  20           HE2      PHE  20 -16.725   4.681  -3.439
  192    HZ   PHE  20           HZ       PHE  20 -18.103   6.646  -2.806
  193   1HN   NH2  21          1HN       NH2  21 -13.605   7.248   2.435
  194   2HN   NH2  21          2HN       NH2  21 -14.843   6.095   2.582
  Start of MODEL    2
    1   1H    LYS   1          1H        LYS   1  17.192   6.195 -15.270
    2   2H    LYS   1          2H        LYS   1  16.600   5.491 -16.699
    3   3H    LYS   1          3H        LYS   1  16.328   4.737 -15.201
    4    HA   LYS   1           HA       LYS   1  15.040   6.789 -14.531
    5   1HB   LYS   1          2HB       LYS   1  15.659   7.218 -17.457
    6   2HB   LYS   1          1HB       LYS   1  14.282   8.010 -16.688
    7   1HG   LYS   1          2HG       LYS   1  17.184   8.230 -15.832
    8   2HG   LYS   1          1HG       LYS   1  16.224   9.494 -16.600
    9   1HD   LYS   1          2HD       LYS   1  14.676   8.690 -14.417
   10   2HD   LYS   1          1HD       LYS   1  16.327   8.708 -13.797
   11   1HE   LYS   1          2HE       LYS   1  16.236  10.967 -13.681
   12   2HE   LYS   1          1HE       LYS   1  15.978  11.034 -15.437
   13   1HZ   LYS   1          1HZ       LYS   1  13.760  10.234 -13.682
   14   2HZ   LYS   1          2HZ       LYS   1  13.709  10.981 -15.207
   15   3HZ   LYS   1          3HZ       LYS   1  14.130  11.881 -13.830
   16    H    ALA   2           H        ALA   2  15.092   4.236 -16.878
   17    HA   ALA   2           HA       ALA   2  12.108   4.051 -16.881
   18   1HB   ALA   2          1HB       ALA   2  13.690   4.037 -18.962
   19   2HB   ALA   2          2HB       ALA   2  12.386   2.851 -18.892
   20   3HB   ALA   2          3HB       ALA   2  14.034   2.375 -18.484
   21    H    LYS   3           H        LYS   3  11.316   2.734 -15.282
   22    HA   LYS   3           HA       LYS   3  12.568   0.073 -14.866
   23   1HB   LYS   3          2HB       LYS   3  12.349   2.320 -12.863
   24   2HB   LYS   3          1HB       LYS   3  12.421   0.640 -12.328
   25   1HG   LYS   3          2HG       LYS   3  14.470   0.664 -14.112
   26   2HG   LYS   3          1HG       LYS   3  14.535   2.331 -13.536
   27   1HD   LYS   3          2HD       LYS   3  14.117   0.623 -11.278
   28   2HD   LYS   3          1HD       LYS   3  15.469  -0.018 -12.213
   29   1HE   LYS   3          2HE       LYS   3  16.276   2.477 -12.289
   30   2HE   LYS   3          1HE       LYS   3  15.202   2.675 -10.890
   31   1HZ   LYS   3          1HZ       LYS   3  17.692   1.742 -10.692
   32   2HZ   LYS   3          2HZ       LYS   3  16.848   0.283 -10.897
   33   3HZ   LYS   3          3HZ       LYS   3  16.451   1.324  -9.614
   34    H    LEU   4           H        LEU   4  10.850  -1.330 -14.957
   35    HA   LEU   4           HA       LEU   4   8.292  -0.499 -13.634
   36   1HB   LEU   4          2HB       LEU   4   7.089  -1.427 -15.553
   37   2HB   LEU   4          1HB       LEU   4   8.239  -0.214 -16.114
   38    HG   LEU   4           HG       LEU   4   9.043  -3.111 -15.975
   39   1HD1  LEU   4          1HD1      LEU   4   6.841  -2.330 -17.425
   40   2HD1  LEU   4          2HD1      LEU   4   7.885  -3.688 -17.845
   41   3HD1  LEU   4          3HD1      LEU   4   8.141  -2.113 -18.597
   42   1HD2  LEU   4          1HD2      LEU   4  10.933  -2.239 -16.840
   43   2HD2  LEU   4          2HD2      LEU   4  10.207  -0.632 -16.812
   44   3HD2  LEU   4          3HD2      LEU   4  10.018  -1.659 -18.233
   45    H    PHE   5           H        PHE   5  10.733  -2.500 -13.226
   46    HA   PHE   5           HA       PHE   5   9.267  -5.065 -13.074
   47   1HB   PHE   5          2HB       PHE   5  12.061  -4.042 -12.930
   48   2HB   PHE   5          1HB       PHE   5  11.716  -5.525 -12.045
   49    HD1  PHE   5           HD1      PHE   5   9.740  -6.904 -13.647
   50    HD2  PHE   5           HD2      PHE   5  13.142  -4.611 -14.927
   51    HE1  PHE   5           HE1      PHE   5   9.802  -8.181 -15.772
   52    HE2  PHE   5           HE2      PHE   5  13.201  -5.888 -17.053
   53    HZ   PHE   5           HZ       PHE   5  11.533  -7.673 -17.475
   54    H    LYS   6           H        LYS   6   8.554  -2.720 -11.325
   55    HA   LYS   6           HA       LYS   6   8.735  -4.149  -8.718
   56   1HB   LYS   6          2HB       LYS   6  10.390  -2.011  -9.476
   57   2HB   LYS   6          1HB       LYS   6   9.162  -1.283  -8.440
   58   1HG   LYS   6          2HG       LYS   6   9.873  -2.402  -6.580
   59   2HG   LYS   6          1HG       LYS   6  10.286  -3.856  -7.489
   60   1HD   LYS   6          2HD       LYS   6  11.975  -1.586  -8.215
   61   2HD   LYS   6          1HD       LYS   6  12.097  -1.988  -6.502
   62   1HE   LYS   6          2HE       LYS   6  12.100  -4.473  -7.822
   63   2HE   LYS   6          1HE       LYS   6  13.174  -3.431  -8.777
   64   1HZ   LYS   6          1HZ       LYS   6  14.030  -4.606  -6.603
   65   2HZ   LYS   6          2HZ       LYS   6  13.307  -3.263  -5.854
   66   3HZ   LYS   6          3HZ       LYS   6  14.535  -3.039  -7.006
   67    H    LYS   7           H        LYS   7   6.375  -4.309  -9.751
   68    HA   LYS   7           HA       LYS   7   4.784  -2.090  -8.532
   69   1HB   LYS   7          2HB       LYS   7   5.272  -2.102 -11.155
   70   2HB   LYS   7          1HB       LYS   7   3.939  -3.260 -11.155
   71   1HG   LYS   7          2HG       LYS   7   3.610  -0.730  -9.591
   72   2HG   LYS   7          1HG       LYS   7   3.481  -0.643 -11.348
   73   1HD   LYS   7          2HD       LYS   7   1.998  -2.913 -10.634
   74   2HD   LYS   7          1HD       LYS   7   1.579  -1.699  -9.424
   75   1HE   LYS   7          2HE       LYS   7   0.064  -1.467 -11.336
   76   2HE   LYS   7          1HE       LYS   7   1.157  -0.070 -11.312
   77   1HZ   LYS   7          1HZ       LYS   7   2.284  -2.332 -12.663
   78   2HZ   LYS   7          2HZ       LYS   7   2.140  -0.723 -13.188
   79   3HZ   LYS   7          3HZ       LYS   7   0.847  -1.807 -13.396
   80    H    ILE   8           H        ILE   8   2.742  -2.777  -7.735
   81    HA   ILE   8           HA       ILE   8   2.197  -5.723  -7.893
   82    HB   ILE   8           HB       ILE   8   1.595  -3.967  -5.515
   83   1HG1  ILE   8          2HG1      ILE   8   4.222  -5.331  -6.186
   84   2HG1  ILE   8          1HG1      ILE   8   3.961  -3.608  -5.933
   85   1HG2  ILE   8          1HG2      ILE   8   0.676  -6.314  -5.761
   86   2HG2  ILE   8          2HG2      ILE   8   1.656  -6.061  -4.316
   87   3HG2  ILE   8          3HG2      ILE   8   2.339  -6.900  -5.710
   88   1HD1  ILE   8          1HD1      ILE   8   3.181  -5.492  -3.741
   89   2HD1  ILE   8          2HD1      ILE   8   3.761  -3.830  -3.636
   90   3HD1  ILE   8          3HD1      ILE   8   4.891  -5.140  -3.974
   91    H    GLY   9           H        GLY   9   0.655  -2.646  -6.857
   92   1HA   GLY   9          2HA       GLY   9  -1.355  -1.715  -7.724
   93   2HA   GLY   9          1HA       GLY   9  -1.618  -3.179  -8.658
   94    H    ILE  10           H        ILE  10  -1.234  -4.917  -6.345
   95    HA   ILE  10           HA       ILE  10  -3.943  -4.611  -5.171
   96    HB   ILE  10           HB       ILE  10  -1.946  -6.859  -4.839
   97   1HG1  ILE  10          2HG1      ILE  10  -4.023  -6.553  -7.030
   98   2HG1  ILE  10          1HG1      ILE  10  -2.301  -6.256  -7.260
   99   1HG2  ILE  10          1HG2      ILE  10  -4.088  -8.182  -4.671
  100   2HG2  ILE  10          2HG2      ILE  10  -4.968  -6.653  -4.698
  101   3HG2  ILE  10          3HG2      ILE  10  -3.865  -7.011  -3.370
  102   1HD1  ILE  10          1HD1      ILE  10  -3.748  -8.824  -6.937
  103   2HD1  ILE  10          2HD1      ILE  10  -2.199  -8.704  -6.104
  104   3HD1  ILE  10          3HD1      ILE  10  -2.282  -8.463  -7.849
  105    H    GLY  11           H        GLY  11  -0.798  -3.760  -4.394
  106   1HA   GLY  11          2HA       GLY  11  -0.768  -4.378  -1.578
  107   2HA   GLY  11          1HA       GLY  11   0.288  -3.222  -2.376
  108    H    LYS  12           H        LYS  12  -1.249  -1.325  -3.289
  109    HA   LYS  12           HA       LYS  12  -2.273   0.004  -0.885
  110   1HB   LYS  12          2HB       LYS  12  -2.383   0.955  -3.756
  111   2HB   LYS  12          1HB       LYS  12  -2.275   1.934  -2.293
  112   1HG   LYS  12          2HG       LYS  12  -0.032   0.792  -1.857
  113   2HG   LYS  12          1HG       LYS  12  -0.136   0.176  -3.507
  114   1HD   LYS  12          2HD       LYS  12  -0.097   3.081  -2.643
  115   2HD   LYS  12          1HD       LYS  12   1.142   2.228  -3.563
  116   1HE   LYS  12          2HE       LYS  12  -0.284   2.022  -5.481
  117   2HE   LYS  12          1HE       LYS  12  -1.707   2.538  -4.557
  118   1HZ   LYS  12          1HZ       LYS  12   0.364   4.428  -4.238
  119   2HZ   LYS  12          2HZ       LYS  12  -1.180   4.651  -4.912
  120   3HZ   LYS  12          3HZ       LYS  12   0.117   4.164  -5.895
  121    H    PHE  13           H        PHE  13  -3.660  -2.277  -2.748
  122    HA   PHE  13           HA       PHE  13  -6.148  -1.260  -3.633
  123   1HB   PHE  13          2HB       PHE  13  -4.935  -3.576  -3.822
  124   2HB   PHE  13          1HB       PHE  13  -5.804  -3.947  -2.338
  125    HD1  PHE  13           HD1      PHE  13  -5.994  -3.945  -5.876
  126    HD2  PHE  13           HD2      PHE  13  -8.379  -3.365  -2.352
  127    HE1  PHE  13           HE1      PHE  13  -8.045  -4.420  -7.186
  128    HE2  PHE  13           HE2      PHE  13 -10.431  -3.839  -3.662
  129    HZ   PHE  13           HZ       PHE  13 -10.263  -4.367  -6.080
  130    H    LEU  14           H        LEU  14  -5.332  -2.793  -0.572
  131    HA   LEU  14           HA       LEU  14  -7.877  -2.311   0.693
  132   1HB   LEU  14          2HB       LEU  14  -5.100  -2.926   1.734
  133   2HB   LEU  14          1HB       LEU  14  -6.555  -2.979   2.730
  134    HG   LEU  14           HG       LEU  14  -6.543  -4.499   0.152
  135   1HD1  LEU  14          1HD1      LEU  14  -5.133  -5.334   2.700
  136   2HD1  LEU  14          2HD1      LEU  14  -4.431  -5.195   1.088
  137   3HD1  LEU  14          3HD1      LEU  14  -5.605  -6.466   1.433
  138   1HD2  LEU  14          1HD2      LEU  14  -8.037  -4.373   2.680
  139   2HD2  LEU  14          2HD2      LEU  14  -7.659  -6.019   2.172
  140   3HD2  LEU  14          3HD2      LEU  14  -8.558  -4.949   1.096
  141    H    HIS  15           H        HIS  15  -5.172  -0.310   0.089
  142    HA   HIS  15           HA       HIS  15  -5.586   1.509   2.357
  143   1HB   HIS  15          2HB       HIS  15  -3.451   0.912   0.951
  144   2HB   HIS  15          1HB       HIS  15  -4.059   2.139  -0.157
  145    HD1  HIS  15           HD1      HIS  15  -2.461   4.042   0.354
  146    HD2  HIS  15           HD2      HIS  15  -4.213   2.464   3.791
  147    HE1  HIS  15           HE1      HIS  15  -1.834   5.594   2.256
  148    H    SER  16           H        SER  16  -5.785   1.985  -1.195
  149    HA   SER  16           HA       SER  16  -7.261   4.426  -1.050
  150   1HB   SER  16          2HB       SER  16  -7.844   2.836  -3.406
  151   2HB   SER  16          1HB       SER  16  -6.877   4.303  -3.276
  152    HG   SER  16           HG       SER  16  -5.114   3.046  -2.709
  153    H    ALA  17           H        ALA  17  -8.194   1.233  -0.378
  154    HA   ALA  17           HA       ALA  17 -10.998   1.412  -1.150
  155   1HB   ALA  17          1HB       ALA  17 -10.667  -0.807  -0.853
  156   2HB   ALA  17          2HB       ALA  17 -10.534  -0.528   0.884
  157   3HB   ALA  17          3HB       ALA  17  -9.090  -0.490  -0.130
  158    H    LYS  18           H        LYS  18  -9.344   1.315   2.038
  159    HA   LYS  18           HA       LYS  18 -11.689   2.114   3.520
  160   1HB   LYS  18          2HB       LYS  18  -9.606   0.866   4.305
  161   2HB   LYS  18          1HB       LYS  18  -8.777   2.423   4.293
  162   1HG   LYS  18          2HG       LYS  18  -9.530   2.591   6.432
  163   2HG   LYS  18          1HG       LYS  18 -11.055   3.046   5.673
  164   1HD   LYS  18          2HD       LYS  18 -11.395   0.418   5.552
  165   2HD   LYS  18          1HD       LYS  18 -10.255   0.434   6.898
  166   1HE   LYS  18          2HE       LYS  18 -12.478   0.572   7.851
  167   2HE   LYS  18          1HE       LYS  18 -11.764   2.191   7.989
  168   1HZ   LYS  18          1HZ       LYS  18 -13.244   1.413   5.559
  169   2HZ   LYS  18          2HZ       LYS  18 -12.940   2.968   6.173
  170   3HZ   LYS  18          3HZ       LYS  18 -14.087   1.963   6.925
  171    H    LYS  19           H        LYS  19  -9.678   3.849   1.456
  172    HA   LYS  19           HA       LYS  19  -9.737   6.413   2.893
  173   1HB   LYS  19          2HB       LYS  19  -8.147   5.265   1.004
  174   2HB   LYS  19          1HB       LYS  19  -9.177   6.268  -0.017
  175   1HG   LYS  19          2HG       LYS  19  -8.211   7.619   2.418
  176   2HG   LYS  19          1HG       LYS  19  -6.937   7.173   1.282
  177   1HD   LYS  19          2HD       LYS  19  -7.856   8.468  -0.451
  178   2HD   LYS  19          1HD       LYS  19  -9.445   8.531   0.312
  179   1HE   LYS  19          2HE       LYS  19  -7.743   9.679   2.213
  180   2HE   LYS  19          1HE       LYS  19  -7.182  10.334   0.661
  181   1HZ   LYS  19          1HZ       LYS  19 -10.066  10.118   1.219
  182   2HZ   LYS  19          2HZ       LYS  19  -9.257  11.165   0.153
  183   3HZ   LYS  19          3HZ       LYS  19  -9.192  11.437   1.829
  184    H    PHE  20           H        PHE  20 -10.919   5.538  -0.367
  185    HA   PHE  20           HA       PHE  20 -12.957   7.649  -0.260
  186   1HB   PHE  20          2HB       PHE  20 -11.709   7.189  -2.298
  187   2HB   PHE  20          1HB       PHE  20 -12.204   5.496  -2.262
  188    HD1  PHE  20           HD1      PHE  20 -14.524   4.846  -2.760
  189    HD2  PHE  20           HD2      PHE  20 -13.237   8.936  -2.999
  190    HE1  PHE  20           HE1      PHE  20 -16.571   5.414  -4.040
  191    HE2  PHE  20           HE2      PHE  20 -15.285   9.506  -4.277
  192    HZ   PHE  20           HZ       PHE  20 -16.952   7.745  -4.799
  193   1HN   NH2  21          1HN       NH2  21 -15.134   7.296   0.308
  194   2HN   NH2  21          2HN       NH2  21 -15.845   5.769   0.525
  Start of MODEL    3
    1   1H    LYS   1          1H        LYS   1   1.190 -19.631  -0.871
    2   2H    LYS   1          2H        LYS   1   2.573 -18.746  -1.308
    3   3H    LYS   1          3H        LYS   1   1.569 -18.193  -0.055
    4    HA   LYS   1           HA       LYS   1   2.144 -20.484   1.029
    5   1HB   LYS   1          2HB       LYS   1   3.260 -21.058  -1.204
    6   2HB   LYS   1          1HB       LYS   1   4.540 -19.936  -0.739
    7   1HG   LYS   1          2HG       LYS   1   5.406 -21.911   0.111
    8   2HG   LYS   1          1HG       LYS   1   4.496 -21.343   1.511
    9   1HD   LYS   1          2HD       LYS   1   2.674 -22.807   1.052
   10   2HD   LYS   1          1HD       LYS   1   3.270 -23.158  -0.572
   11   1HE   LYS   1          2HE       LYS   1   5.080 -24.472   0.260
   12   2HE   LYS   1          1HE       LYS   1   4.861 -23.860   1.911
   13   1HZ   LYS   1          1HZ       LYS   1   3.283 -25.825   0.438
   14   2HZ   LYS   1          2HZ       LYS   1   2.425 -24.754   1.440
   15   3HZ   LYS   1          3HZ       LYS   1   3.639 -25.747   2.095
   16    H    ALA   2           H        ALA   2   1.797 -18.206   2.203
   17    HA   ALA   2           HA       ALA   2   2.699 -16.492   3.576
   18   1HB   ALA   2          1HB       ALA   2   4.524 -18.891   3.829
   19   2HB   ALA   2          2HB       ALA   2   3.229 -18.390   4.916
   20   3HB   ALA   2          3HB       ALA   2   4.727 -17.462   4.845
   21    H    LYS   3           H        LYS   3   3.269 -15.769   1.037
   22    HA   LYS   3           HA       LYS   3   6.075 -14.767   1.229
   23   1HB   LYS   3          2HB       LYS   3   5.809 -16.882  -0.186
   24   2HB   LYS   3          1HB       LYS   3   4.848 -15.904  -1.296
   25   1HG   LYS   3          2HG       LYS   3   6.854 -14.266  -1.271
   26   2HG   LYS   3          1HG       LYS   3   7.763 -15.614  -0.585
   27   1HD   LYS   3          2HD       LYS   3   7.821 -16.734  -2.560
   28   2HD   LYS   3          1HD       LYS   3   6.142 -16.339  -2.935
   29   1HE   LYS   3          2HE       LYS   3   6.857 -14.026  -3.562
   30   2HE   LYS   3          1HE       LYS   3   8.544 -14.512  -3.294
   31   1HZ   LYS   3          1HZ       LYS   3   8.254 -15.007  -5.516
   32   2HZ   LYS   3          2HZ       LYS   3   6.635 -15.483  -5.319
   33   3HZ   LYS   3          3HZ       LYS   3   7.891 -16.498  -4.792
   34    H    LEU   4           H        LEU   4   6.320 -12.684   0.343
   35    HA   LEU   4           HA       LEU   4   4.063 -11.492  -1.178
   36   1HB   LEU   4          2HB       LEU   4   3.973  -9.617   0.470
   37   2HB   LEU   4          1HB       LEU   4   3.521 -11.162   1.187
   38    HG   LEU   4           HG       LEU   4   6.307 -11.024   1.478
   39   1HD1  LEU   4          1HD1      LEU   4   5.000  -8.351   1.652
   40   2HD1  LEU   4          2HD1      LEU   4   6.661  -8.764   1.231
   41   3HD1  LEU   4          3HD1      LEU   4   6.155  -8.762   2.920
   42   1HD2  LEU   4          1HD2      LEU   4   5.804 -11.229   3.758
   43   2HD2  LEU   4          2HD2      LEU   4   4.318 -11.808   3.004
   44   3HD2  LEU   4          3HD2      LEU   4   4.402 -10.166   3.644
   45    H    PHE   5           H        PHE   5   6.760 -12.142  -1.976
   46    HA   PHE   5           HA       PHE   5   8.365  -9.687  -1.886
   47   1HB   PHE   5          2HB       PHE   5   8.686 -12.463  -2.433
   48   2HB   PHE   5          1HB       PHE   5   9.185 -11.588  -3.882
   49    HD1  PHE   5           HD1      PHE   5   9.460 -11.119  -0.162
   50    HD2  PHE   5           HD2      PHE   5  11.440 -11.043  -3.973
   51    HE1  PHE   5           HE1      PHE   5  11.579 -10.474   0.952
   52    HE2  PHE   5           HE2      PHE   5  13.560 -10.397  -2.858
   53    HZ   PHE   5           HZ       PHE   5  13.629 -10.112  -0.396
   54    H    LYS   6           H        LYS   6   5.951 -11.091  -3.973
   55    HA   LYS   6           HA       LYS   6   6.359  -8.827  -5.895
   56   1HB   LYS   6          2HB       LYS   6   5.771 -10.520  -7.679
   57   2HB   LYS   6          1HB       LYS   6   7.302 -10.843  -6.863
   58   1HG   LYS   6          2HG       LYS   6   6.317 -12.547  -5.495
   59   2HG   LYS   6          1HG       LYS   6   4.686 -12.091  -5.991
   60   1HD   LYS   6          2HD       LYS   6   5.583 -14.149  -7.150
   61   2HD   LYS   6          1HD       LYS   6   5.078 -12.860  -8.244
   62   1HE   LYS   6          2HE       LYS   6   7.192 -12.574  -9.037
   63   2HE   LYS   6          1HE       LYS   6   7.892 -12.629  -7.408
   64   1HZ   LYS   6          1HZ       LYS   6   6.756 -15.059  -8.634
   65   2HZ   LYS   6          2HZ       LYS   6   7.909 -14.928  -7.393
   66   3HZ   LYS   6          3HZ       LYS   6   8.344 -14.588  -8.999
   67    H    LYS   7           H        LYS   7   4.480  -8.831  -3.748
   68    HA   LYS   7           HA       LYS   7   1.941  -8.814  -5.307
   69   1HB   LYS   7          2HB       LYS   7   2.725 -10.583  -3.066
   70   2HB   LYS   7          1HB       LYS   7   1.126  -9.855  -2.916
   71   1HG   LYS   7          2HG       LYS   7   1.520 -10.758  -5.625
   72   2HG   LYS   7          1HG       LYS   7   1.849 -12.081  -4.505
   73   1HD   LYS   7          2HD       LYS   7  -0.338 -11.430  -3.335
   74   2HD   LYS   7          1HD       LYS   7  -0.678 -10.442  -4.755
   75   1HE   LYS   7          2HE       LYS   7   0.182 -13.029  -5.659
   76   2HE   LYS   7          1HE       LYS   7  -1.110 -13.243  -4.459
   77   1HZ   LYS   7          1HZ       LYS   7  -2.569 -11.957  -5.652
   78   2HZ   LYS   7          2HZ       LYS   7  -1.713 -12.696  -6.920
   79   3HZ   LYS   7          3HZ       LYS   7  -1.347 -11.102  -6.458
   80    H    ILE   8           H        ILE   8   2.215  -6.459  -5.114
   81    HA   ILE   8           HA       ILE   8   1.564  -5.450  -2.364
   82    HB   ILE   8           HB       ILE   8   3.165  -4.028  -4.509
   83   1HG1  ILE   8          2HG1      ILE   8   3.997  -5.955  -2.346
   84   2HG1  ILE   8          1HG1      ILE   8   4.538  -5.874  -4.020
   85   1HG2  ILE   8          1HG2      ILE   8   3.400  -3.509  -1.576
   86   2HG2  ILE   8          2HG2      ILE   8   1.941  -2.944  -2.390
   87   3HG2  ILE   8          3HG2      ILE   8   3.524  -2.384  -2.928
   88   1HD1  ILE   8          1HD1      ILE   8   5.724  -3.759  -3.539
   89   2HD1  ILE   8          2HD1      ILE   8   6.297  -5.060  -2.495
   90   3HD1  ILE   8          3HD1      ILE   8   5.189  -3.845  -1.860
   91    H    GLY   9           H        GLY   9   1.014  -5.234  -5.839
   92   1HA   GLY   9          2HA       GLY   9  -0.537  -2.896  -5.986
   93   2HA   GLY   9          1HA       GLY   9  -0.793  -4.299  -7.021
   94    H    ILE  10           H        ILE  10  -1.209  -5.898  -4.473
   95    HA   ILE  10           HA       ILE  10  -4.109  -5.323  -4.225
   96    HB   ILE  10           HB       ILE  10  -2.572  -7.638  -3.045
   97   1HG1  ILE  10          2HG1      ILE  10  -1.918  -7.310  -5.458
   98   2HG1  ILE  10          1HG1      ILE  10  -2.753  -8.826  -5.148
   99   1HG2  ILE  10          1HG2      ILE  10  -5.386  -7.247  -4.102
  100   2HG2  ILE  10          2HG2      ILE  10  -4.907  -7.508  -2.425
  101   3HG2  ILE  10          3HG2      ILE  10  -4.733  -8.807  -3.603
  102   1HD1  ILE  10          1HD1      ILE  10  -3.874  -8.038  -7.047
  103   2HD1  ILE  10          2HD1      ILE  10  -3.775  -6.357  -6.523
  104   3HD1  ILE  10          3HD1      ILE  10  -4.912  -7.457  -5.745
  105    H    GLY  11           H        GLY  11  -1.189  -4.814  -2.565
  106   1HA   GLY  11          2HA       GLY  11  -2.401  -4.776   0.114
  107   2HA   GLY  11          1HA       GLY  11  -0.718  -4.412  -0.254
  108    H    LYS  12           H        LYS  12  -1.335  -2.581  -2.368
  109    HA   LYS  12           HA       LYS  12  -1.855  -0.167  -0.774
  110   1HB   LYS  12          2HB       LYS  12  -1.048  -0.840  -3.605
  111   2HB   LYS  12          1HB       LYS  12  -1.470   0.816  -3.164
  112   1HG   LYS  12          2HG       LYS  12   0.263   0.867  -1.468
  113   2HG   LYS  12          1HG       LYS  12   0.616  -0.842  -1.720
  114   1HD   LYS  12          2HD       LYS  12   1.486  -0.438  -3.910
  115   2HD   LYS  12          1HD       LYS  12   0.849   1.207  -3.934
  116   1HE   LYS  12          2HE       LYS  12   2.867   0.342  -1.850
  117   2HE   LYS  12          1HE       LYS  12   3.370   0.966  -3.433
  118   1HZ   LYS  12          1HZ       LYS  12   3.154   2.897  -2.214
  119   2HZ   LYS  12          2HZ       LYS  12   1.837   2.317  -1.312
  120   3HZ   LYS  12          3HZ       LYS  12   1.622   2.784  -2.932
  121    H    PHE  13           H        PHE  13  -3.604  -2.324  -2.842
  122    HA   PHE  13           HA       PHE  13  -5.659  -0.548  -3.775
  123   1HB   PHE  13          2HB       PHE  13  -4.831  -3.057  -4.285
  124   2HB   PHE  13          1HB       PHE  13  -6.171  -3.421  -3.208
  125    HD1  PHE  13           HD1      PHE  13  -5.485  -3.357  -6.510
  126    HD2  PHE  13           HD2      PHE  13  -8.189  -1.474  -3.752
  127    HE1  PHE  13           HE1      PHE  13  -7.082  -2.941  -8.361
  128    HE2  PHE  13           HE2      PHE  13  -9.785  -1.058  -5.604
  129    HZ   PHE  13           HZ       PHE  13  -9.233  -1.791  -7.907
  130    H    LEU  14           H        LEU  14  -5.268  -2.608  -0.975
  131    HA   LEU  14           HA       LEU  14  -7.873  -2.263   0.169
  132   1HB   LEU  14          2HB       LEU  14  -5.130  -3.052   1.100
  133   2HB   LEU  14          1HB       LEU  14  -6.399  -2.804   2.300
  134    HG   LEU  14           HG       LEU  14  -6.723  -4.607  -0.113
  135   1HD1  LEU  14          1HD1      LEU  14  -6.120  -6.460   1.214
  136   2HD1  LEU  14          2HD1      LEU  14  -6.263  -5.545   2.716
  137   3HD1  LEU  14          3HD1      LEU  14  -4.905  -5.251   1.629
  138   1HD2  LEU  14          1HD2      LEU  14  -8.526  -5.534   1.507
  139   2HD2  LEU  14          2HD2      LEU  14  -8.859  -4.001   0.702
  140   3HD2  LEU  14          3HD2      LEU  14  -8.318  -4.016   2.380
  141    H    HIS  15           H        HIS  15  -5.088  -0.255  -0.011
  142    HA   HIS  15           HA       HIS  15  -5.592   1.493   2.233
  143   1HB   HIS  15          2HB       HIS  15  -3.490   1.146   0.783
  144   2HB   HIS  15          1HB       HIS  15  -4.270   2.189  -0.398
  145    HD1  HIS  15           HD1      HIS  15  -3.474   4.525  -0.174
  146    HD2  HIS  15           HD2      HIS  15  -3.727   2.649   3.542
  147    HE1  HIS  15           HE1      HIS  15  -2.807   6.256   1.549
  148    H    SER  16           H        SER  16  -6.127   1.906  -1.268
  149    HA   SER  16           HA       SER  16  -7.654   4.311  -1.082
  150   1HB   SER  16          2HB       SER  16  -8.429   2.550  -3.271
  151   2HB   SER  16          1HB       SER  16  -7.548   4.074  -3.336
  152    HG   SER  16           HG       SER  16  -6.278   2.311  -4.055
  153    H    ALA  17           H        ALA  17  -8.431   1.054  -0.364
  154    HA   ALA  17           HA       ALA  17 -11.308   1.181  -0.721
  155   1HB   ALA  17          1HB       ALA  17 -10.758  -0.737   1.203
  156   2HB   ALA  17          2HB       ALA  17  -9.233  -0.622   0.325
  157   3HB   ALA  17          3HB       ALA  17 -10.720  -1.013  -0.539
  158    H    LYS  18           H        LYS  18  -9.070   1.734   1.985
  159    HA   LYS  18           HA       LYS  18 -11.210   2.291   3.900
  160   1HB   LYS  18          2HB       LYS  18  -8.232   2.206   3.789
  161   2HB   LYS  18          1HB       LYS  18  -8.948   3.201   5.057
  162   1HG   LYS  18          2HG       LYS  18 -10.226   0.567   4.749
  163   2HG   LYS  18          1HG       LYS  18  -8.534   0.487   5.244
  164   1HD   LYS  18          2HD       LYS  18  -9.172   0.999   7.340
  165   2HD   LYS  18          1HD       LYS  18  -9.699   2.576   6.753
  166   1HE   LYS  18          2HE       LYS  18 -11.883   2.006   6.974
  167   2HE   LYS  18          1HE       LYS  18 -11.632   0.486   6.093
  168   1HZ   LYS  18          1HZ       LYS  18 -10.456  -0.301   8.172
  169   2HZ   LYS  18          2HZ       LYS  18 -12.145  -0.152   8.282
  170   3HZ   LYS  18          3HZ       LYS  18 -11.138   1.036   8.963
  171    H    LYS  19           H        LYS  19  -9.616   4.003   1.436
  172    HA   LYS  19           HA       LYS  19  -9.747   6.678   2.588
  173   1HB   LYS  19          2HB       LYS  19  -8.515   5.411   0.458
  174   2HB   LYS  19          1HB       LYS  19  -9.755   6.377  -0.341
  175   1HG   LYS  19          2HG       LYS  19  -8.855   8.235   1.368
  176   2HG   LYS  19          1HG       LYS  19  -7.387   7.267   1.242
  177   1HD   LYS  19          2HD       LYS  19  -7.057   8.673  -0.558
  178   2HD   LYS  19          1HD       LYS  19  -7.967   7.392  -1.360
  179   1HE   LYS  19          2HE       LYS  19  -9.839   8.701  -1.617
  180   2HE   LYS  19          1HE       LYS  19  -9.593   9.529  -0.068
  181   1HZ   LYS  19          1HZ       LYS  19  -8.745  11.193  -1.266
  182   2HZ   LYS  19          2HZ       LYS  19  -8.650  10.254  -2.678
  183   3HZ   LYS  19          3HZ       LYS  19  -7.395  10.202  -1.536
  184    H    PHE  20           H        PHE  20 -11.821   4.657   0.550
  185    HA   PHE  20           HA       PHE  20 -13.892   6.830   0.579
  186   1HB   PHE  20          2HB       PHE  20 -12.943   6.142  -1.626
  187   2HB   PHE  20          1HB       PHE  20 -13.492   4.495  -1.319
  188    HD1  PHE  20           HD1      PHE  20 -15.084   4.280  -3.090
  189    HD2  PHE  20           HD2      PHE  20 -15.318   7.583  -0.355
  190    HE1  PHE  20           HE1      PHE  20 -17.326   4.856  -3.979
  191    HE2  PHE  20           HE2      PHE  20 -17.561   8.159  -1.243
  192    HZ   PHE  20           HZ       PHE  20 -18.565   6.796  -3.055
  193   1HN   NH2  21          1HN       NH2  21 -15.904   6.283   1.537
  194   2HN   NH2  21          2HN       NH2  21 -16.306   4.735   2.106
  Start of MODEL    4
    1   1H    LYS   1          1H        LYS   1  18.473 -12.173   2.981
    2   2H    LYS   1          2H        LYS   1  18.719 -10.885   4.060
    3   3H    LYS   1          3H        LYS   1  19.892 -11.250   2.888
    4    HA   LYS   1           HA       LYS   1  18.765 -10.233   1.209
    5   1HB   LYS   1          2HB       LYS   1  16.731 -11.819   2.432
    6   2HB   LYS   1          1HB       LYS   1  16.062 -10.207   2.175
    7   1HG   LYS   1          2HG       LYS   1  17.003 -10.338  -0.193
    8   2HG   LYS   1          1HG       LYS   1  17.291 -12.050   0.117
    9   1HD   LYS   1          2HD       LYS   1  15.154 -11.979  -0.912
   10   2HD   LYS   1          1HD       LYS   1  14.816 -12.167   0.809
   11   1HE   LYS   1          2HE       LYS   1  13.901 -10.071   0.986
   12   2HE   LYS   1          1HE       LYS   1  15.064  -9.363  -0.153
   13   1HZ   LYS   1          1HZ       LYS   1  13.234 -11.374  -1.204
   14   2HZ   LYS   1          2HZ       LYS   1  13.839  -9.969  -1.941
   15   3HZ   LYS   1          3HZ       LYS   1  12.558  -9.864  -0.830
   16    H    ALA   2           H        ALA   2  18.162  -8.005   0.984
   17    HA   ALA   2           HA       ALA   2  18.205  -6.477   3.549
   18   1HB   ALA   2          1HB       ALA   2  19.296  -4.830   2.317
   19   2HB   ALA   2          2HB       ALA   2  18.480  -5.271   0.817
   20   3HB   ALA   2          3HB       ALA   2  19.794  -6.272   1.432
   21    H    LYS   3           H        LYS   3  16.974  -4.216   3.136
   22    HA   LYS   3           HA       LYS   3  14.325  -4.767   1.854
   23   1HB   LYS   3          2HB       LYS   3  13.365  -3.636   3.942
   24   2HB   LYS   3          1HB       LYS   3  14.041  -5.247   4.188
   25   1HG   LYS   3          2HG       LYS   3  15.841  -4.459   5.382
   26   2HG   LYS   3          1HG       LYS   3  15.907  -2.944   4.483
   27   1HD   LYS   3          2HD       LYS   3  13.540  -3.466   6.247
   28   2HD   LYS   3          1HD       LYS   3  15.061  -2.972   6.991
   29   1HE   LYS   3          2HE       LYS   3  15.124  -0.934   5.676
   30   2HE   LYS   3          1HE       LYS   3  13.722  -1.458   4.722
   31   1HZ   LYS   3          1HZ       LYS   3  13.609  -1.299   7.671
   32   2HZ   LYS   3          2HZ       LYS   3  12.321  -1.340   6.564
   33   3HZ   LYS   3          3HZ       LYS   3  13.275   0.058   6.711
   34    H    LEU   4           H        LEU   4  14.214  -3.192   0.283
   35    HA   LEU   4           HA       LEU   4  14.650  -0.364   1.112
   36   1HB   LEU   4          2HB       LEU   4  16.006  -0.061  -0.997
   37   2HB   LEU   4          1HB       LEU   4  16.777  -1.102   0.200
   38    HG   LEU   4           HG       LEU   4  15.135  -2.790  -1.362
   39   1HD1  LEU   4          1HD1      LEU   4  15.612  -2.317  -3.607
   40   2HD1  LEU   4          2HD1      LEU   4  16.973  -1.273  -3.198
   41   3HD1  LEU   4          3HD1      LEU   4  15.322  -0.708  -2.945
   42   1HD2  LEU   4          1HD2      LEU   4  17.140  -3.652  -0.483
   43   2HD2  LEU   4          2HD2      LEU   4  18.091  -2.285  -1.064
   44   3HD2  LEU   4          3HD2      LEU   4  17.506  -3.500  -2.202
   45    H    PHE   5           H        PHE   5  12.394  -2.301   0.171
   46    HA   PHE   5           HA       PHE   5  11.503  -1.103  -2.363
   47   1HB   PHE   5          2HB       PHE   5  11.097  -3.465  -0.897
   48   2HB   PHE   5          1HB       PHE   5   9.539  -2.637  -0.862
   49    HD1  PHE   5           HD1      PHE   5   8.545  -1.816  -3.068
   50    HD2  PHE   5           HD2      PHE   5  11.857  -4.543  -2.863
   51    HE1  PHE   5           HE1      PHE   5   8.129  -2.498  -5.416
   52    HE2  PHE   5           HE2      PHE   5  11.443  -5.224  -5.210
   53    HZ   PHE   5           HZ       PHE   5   9.579  -4.202  -6.488
   54    H    LYS   6           H        LYS   6   9.600   0.224  -2.558
   55    HA   LYS   6           HA       LYS   6   8.614   1.440   0.001
   56   1HB   LYS   6          2HB       LYS   6   9.569   2.710  -2.573
   57   2HB   LYS   6          1HB       LYS   6   8.591   3.594  -1.400
   58   1HG   LYS   6          2HG       LYS   6  10.376   3.932  -0.071
   59   2HG   LYS   6          1HG       LYS   6  10.764   2.211  -0.074
   60   1HD   LYS   6          2HD       LYS   6  11.802   2.536  -2.353
   61   2HD   LYS   6          1HD       LYS   6  11.584   4.272  -2.137
   62   1HE   LYS   6          2HE       LYS   6  12.931   4.127  -0.018
   63   2HE   LYS   6          1HE       LYS   6  13.259   2.425  -0.401
   64   1HZ   LYS   6          1HZ       LYS   6  14.755   4.437  -1.312
   65   2HZ   LYS   6          2HZ       LYS   6  13.630   4.311  -2.579
   66   3HZ   LYS   6          3HZ       LYS   6  14.571   2.967  -2.135
   67    H    LYS   7           H        LYS   7   7.184  -0.608  -1.266
   68    HA   LYS   7           HA       LYS   7   4.636   0.640  -1.754
   69   1HB   LYS   7          2HB       LYS   7   6.247   1.013  -3.851
   70   2HB   LYS   7          1HB       LYS   7   5.708  -0.619  -4.252
   71   1HG   LYS   7          2HG       LYS   7   3.330   0.492  -3.604
   72   2HG   LYS   7          1HG       LYS   7   4.170   1.922  -4.203
   73   1HD   LYS   7          2HD       LYS   7   4.442   1.035  -6.343
   74   2HD   LYS   7          1HD       LYS   7   4.294  -0.630  -5.781
   75   1HE   LYS   7          2HE       LYS   7   1.846   0.106  -5.124
   76   2HE   LYS   7          1HE       LYS   7   2.125   1.374  -6.334
   77   1HZ   LYS   7          1HZ       LYS   7   2.802  -0.302  -7.918
   78   2HZ   LYS   7          2HZ       LYS   7   1.245  -0.668  -7.342
   79   3HZ   LYS   7          3HZ       LYS   7   2.591  -1.530  -6.767
   80    H    ILE   8           H        ILE   8   2.974  -1.027  -2.320
   81    HA   ILE   8           HA       ILE   8   3.939  -3.818  -1.782
   82    HB   ILE   8           HB       ILE   8   1.312  -2.624  -0.876
   83   1HG1  ILE   8          2HG1      ILE   8   4.033  -2.537   0.445
   84   2HG1  ILE   8          1HG1      ILE   8   2.930  -1.195   0.144
   85   1HG2  ILE   8          1HG2      ILE   8   1.888  -5.172  -0.943
   86   2HG2  ILE   8          2HG2      ILE   8   1.170  -4.503   0.524
   87   3HG2  ILE   8          3HG2      ILE   8   2.906  -4.807   0.450
   88   1HD1  ILE   8          1HD1      ILE   8   1.344  -2.066   1.771
   89   2HD1  ILE   8          2HD1      ILE   8   2.929  -1.948   2.533
   90   3HD1  ILE   8          3HD1      ILE   8   2.323  -3.516   1.999
   91    H    GLY   9           H        GLY   9   1.137  -1.946  -3.015
   92   1HA   GLY   9          2HA       GLY   9   0.037  -2.288  -5.104
   93   2HA   GLY   9          1HA       GLY   9   0.980  -3.752  -5.345
   94    H    ILE  10           H        ILE  10   0.501  -5.201  -3.173
   95    HA   ILE  10           HA       ILE  10  -2.240  -6.119  -3.537
   96    HB   ILE  10           HB       ILE  10  -0.083  -6.901  -1.555
   97   1HG1  ILE  10          2HG1      ILE  10   0.554  -6.982  -4.009
   98   2HG1  ILE  10          1HG1      ILE  10   0.631  -8.532  -3.174
   99   1HG2  ILE  10          1HG2      ILE  10  -2.421  -7.688  -1.061
  100   2HG2  ILE  10          2HG2      ILE  10  -1.281  -8.998  -1.366
  101   3HG2  ILE  10          3HG2      ILE  10  -2.420  -8.511  -2.621
  102   1HD1  ILE  10          1HD1      ILE  10  -1.755  -8.941  -4.001
  103   2HD1  ILE  10          2HD1      ILE  10  -0.496  -8.966  -5.234
  104   3HD1  ILE  10          3HD1      ILE  10  -1.523  -7.544  -5.052
  105    H    GLY  11           H        GLY  11  -0.543  -4.069  -1.356
  106   1HA   GLY  11          2HA       GLY  11  -2.829  -4.042   0.546
  107   2HA   GLY  11          1HA       GLY  11  -1.227  -3.384   0.885
  108    H    LYS  12           H        LYS  12  -1.434  -2.343  -2.043
  109    HA   LYS  12           HA       LYS  12  -2.080   0.365  -1.449
  110   1HB   LYS  12          2HB       LYS  12  -0.673  -0.260  -3.309
  111   2HB   LYS  12          1HB       LYS  12  -1.947  -1.262  -4.005
  112   1HG   LYS  12          2HG       LYS  12  -3.163   1.218  -3.733
  113   2HG   LYS  12          1HG       LYS  12  -1.521   1.621  -4.233
  114   1HD   LYS  12          2HD       LYS  12  -1.699   0.130  -6.158
  115   2HD   LYS  12          1HD       LYS  12  -3.303  -0.389  -5.639
  116   1HE   LYS  12          2HE       LYS  12  -4.302   1.487  -6.472
  117   2HE   LYS  12          1HE       LYS  12  -3.006   2.544  -5.880
  118   1HZ   LYS  12          1HZ       LYS  12  -2.001   2.462  -7.848
  119   2HZ   LYS  12          2HZ       LYS  12  -3.352   1.642  -8.472
  120   3HZ   LYS  12          3HZ       LYS  12  -2.030   0.765  -7.870
  121    H    PHE  13           H        PHE  13  -4.012  -2.262  -2.902
  122    HA   PHE  13           HA       PHE  13  -6.336  -0.720  -3.512
  123   1HB   PHE  13          2HB       PHE  13  -5.513  -3.186  -4.025
  124   2HB   PHE  13          1HB       PHE  13  -6.449  -3.563  -2.585
  125    HD1  PHE  13           HD1      PHE  13  -6.863  -1.268  -5.531
  126    HD2  PHE  13           HD2      PHE  13  -8.606  -4.315  -3.053
  127    HE1  PHE  13           HE1      PHE  13  -8.950  -1.158  -6.864
  128    HE2  PHE  13           HE2      PHE  13 -10.694  -4.205  -4.387
  129    HZ   PHE  13           HZ       PHE  13 -10.865  -2.627  -6.293
  130    H    LEU  14           H        LEU  14  -5.398  -2.594  -0.702
  131    HA   LEU  14           HA       LEU  14  -7.723  -2.148   0.895
  132   1HB   LEU  14          2HB       LEU  14  -4.833  -2.843   1.366
  133   2HB   LEU  14          1HB       LEU  14  -5.899  -2.572   2.745
  134    HG   LEU  14           HG       LEU  14  -7.247  -4.253   0.845
  135   1HD1  LEU  14          1HD1      LEU  14  -4.477  -5.163   1.683
  136   2HD1  LEU  14          2HD1      LEU  14  -5.037  -4.899   0.032
  137   3HD1  LEU  14          3HD1      LEU  14  -5.709  -6.218   0.990
  138   1HD2  LEU  14          1HD2      LEU  14  -6.465  -4.189   3.690
  139   2HD2  LEU  14          2HD2      LEU  14  -6.645  -5.812   3.024
  140   3HD2  LEU  14          3HD2      LEU  14  -7.993  -4.676   2.956
  141    H    HIS  15           H        HIS  15  -5.131  -0.104  -0.021
  142    HA   HIS  15           HA       HIS  15  -5.392   1.787   2.215
  143   1HB   HIS  15          2HB       HIS  15  -3.392   1.070   0.572
  144   2HB   HIS  15          1HB       HIS  15  -4.029   2.416  -0.368
  145    HD1  HIS  15           HD1      HIS  15  -2.934   4.577   0.218
  146    HD2  HIS  15           HD2      HIS  15  -3.105   2.018   3.506
  147    HE1  HIS  15           HE1      HIS  15  -1.814   5.796   2.135
  148    H    SER  16           H        SER  16  -5.940   1.941  -1.329
  149    HA   SER  16           HA       SER  16  -7.427   4.425  -1.180
  150   1HB   SER  16          2HB       SER  16  -6.089   3.369  -3.118
  151   2HB   SER  16          1HB       SER  16  -7.500   2.347  -3.378
  152    HG   SER  16           HG       SER  16  -8.666   4.474  -3.350
  153    H    ALA  17           H        ALA  17  -8.194   1.228  -0.407
  154    HA   ALA  17           HA       ALA  17 -11.018   1.267  -1.187
  155   1HB   ALA  17          1HB       ALA  17 -10.033  -0.867  -1.102
  156   2HB   ALA  17          2HB       ALA  17 -10.882  -0.794   0.442
  157   3HB   ALA  17          3HB       ALA  17  -9.144  -0.498   0.377
  158    H    LYS  18           H        LYS  18  -9.354   1.145   1.994
  159    HA   LYS  18           HA       LYS  18 -11.718   1.950   3.463
  160   1HB   LYS  18          2HB       LYS  18  -9.017   1.064   3.911
  161   2HB   LYS  18          1HB       LYS  18  -9.326   2.484   4.911
  162   1HG   LYS  18          2HG       LYS  18 -10.243   0.960   6.341
  163   2HG   LYS  18          1HG       LYS  18 -11.645   1.108   5.280
  164   1HD   LYS  18          2HD       LYS  18 -11.440  -1.040   4.648
  165   2HD   LYS  18          1HD       LYS  18  -9.780  -0.755   4.126
  166   1HE   LYS  18          2HE       LYS  18 -10.011  -2.522   5.935
  167   2HE   LYS  18          1HE       LYS  18  -8.943  -1.178   6.378
  168   1HZ   LYS  18          1HZ       LYS  18 -11.196  -1.981   7.737
  169   2HZ   LYS  18          2HZ       LYS  18 -11.673  -0.569   6.925
  170   3HZ   LYS  18          3HZ       LYS  18 -10.337  -0.539   7.973
  171    H    LYS  19           H        LYS  19  -9.568   3.661   1.506
  172    HA   LYS  19           HA       LYS  19  -9.631   6.196   3.003
  173   1HB   LYS  19          2HB       LYS  19  -8.405   5.040   0.555
  174   2HB   LYS  19          1HB       LYS  19  -8.683   6.781   0.528
  175   1HG   LYS  19          2HG       LYS  19  -7.445   7.040   2.626
  176   2HG   LYS  19          1HG       LYS  19  -7.209   5.295   2.721
  177   1HD   LYS  19          2HD       LYS  19  -5.473   5.360   1.280
  178   2HD   LYS  19          1HD       LYS  19  -6.369   6.365   0.140
  179   1HE   LYS  19          2HE       LYS  19  -5.786   8.021   2.372
  180   2HE   LYS  19          1HE       LYS  19  -4.286   7.169   1.956
  181   1HZ   LYS  19          1HZ       LYS  19  -5.049   9.301   0.634
  182   2HZ   LYS  19          2HZ       LYS  19  -5.956   8.157  -0.234
  183   3HZ   LYS  19          3HZ       LYS  19  -4.266   8.013  -0.143
  184    H    PHE  20           H        PHE  20 -10.544   5.481  -0.380
  185    HA   PHE  20           HA       PHE  20 -12.431   7.670  -0.499
  186   1HB   PHE  20          2HB       PHE  20 -10.989   6.301  -2.269
  187   2HB   PHE  20          1HB       PHE  20 -12.459   5.334  -2.370
  188    HD1  PHE  20           HD1      PHE  20 -11.549   8.971  -2.131
  189    HD2  PHE  20           HD2      PHE  20 -13.963   5.968  -4.029
  190    HE1  PHE  20           HE1      PHE  20 -12.581  10.710  -3.569
  191    HE2  PHE  20           HE2      PHE  20 -14.996   7.706  -5.466
  192    HZ   PHE  20           HZ       PHE  20 -14.304  10.076  -5.236
  193   1HN   NH2  21          1HN       NH2  21 -12.910   4.080  -0.464
  194   2HN   NH2  21          2HN       NH2  21 -14.508   4.144   0.103
  Start of MODEL    5
    1   1H    LYS   1          1H        LYS   1  12.571 -19.052   1.516
    2   2H    LYS   1          2H        LYS   1  12.757 -19.370   3.174
    3   3H    LYS   1          3H        LYS   1  13.472 -17.992   2.486
    4    HA   LYS   1           HA       LYS   1  11.511 -16.831   2.371
    5   1HB   LYS   1          2HB       LYS   1   9.333 -18.271   2.424
    6   2HB   LYS   1          1HB       LYS   1  10.312 -18.292   0.958
    7   1HG   LYS   1          2HG       LYS   1  11.148 -20.292   2.941
    8   2HG   LYS   1          1HG       LYS   1   9.503 -20.532   2.357
    9   1HD   LYS   1          2HD       LYS   1  11.426 -19.853   0.236
   10   2HD   LYS   1          1HD       LYS   1  11.769 -21.382   1.045
   11   1HE   LYS   1          2HE       LYS   1   8.910 -21.026   0.443
   12   2HE   LYS   1          1HE       LYS   1   9.938 -21.070  -1.004
   13   1HZ   LYS   1          1HZ       LYS   1   9.245 -23.302  -0.114
   14   2HZ   LYS   1          2HZ       LYS   1  10.227 -22.990   1.237
   15   3HZ   LYS   1          3HZ       LYS   1  10.916 -23.089  -0.312
   16    H    ALA   2           H        ALA   2  10.853 -15.850   4.246
   17    HA   ALA   2           HA       ALA   2  10.079 -17.455   6.601
   18   1HB   ALA   2          1HB       ALA   2  12.732 -16.711   6.196
   19   2HB   ALA   2          2HB       ALA   2  12.020 -17.179   7.741
   20   3HB   ALA   2          3HB       ALA   2  12.120 -15.475   7.297
   21    H    LYS   3           H        LYS   3   8.292 -15.913   5.366
   22    HA   LYS   3           HA       LYS   3   7.997 -13.566   7.180
   23   1HB   LYS   3          2HB       LYS   3   8.961 -13.379   4.577
   24   2HB   LYS   3          1HB       LYS   3   7.245 -13.010   4.400
   25   1HG   LYS   3          2HG       LYS   3   7.394 -11.270   6.096
   26   2HG   LYS   3          1HG       LYS   3   9.075 -11.692   6.427
   27   1HD   LYS   3          2HD       LYS   3   9.278 -11.271   3.782
   28   2HD   LYS   3          1HD       LYS   3   7.912 -10.205   4.119
   29   1HE   LYS   3          2HE       LYS   3  10.370 -10.101   5.867
   30   2HE   LYS   3          1HE       LYS   3  10.314  -9.205   4.337
   31   1HZ   LYS   3          1HZ       LYS   3   8.004  -9.091   6.148
   32   2HZ   LYS   3          2HZ       LYS   3   8.547  -7.940   5.023
   33   3HZ   LYS   3          3HZ       LYS   3   9.360  -8.137   6.502
   34    H    LEU   4           H        LEU   4   5.696 -12.502   6.288
   35    HA   LEU   4           HA       LEU   4   3.760 -14.777   5.994
   36   1HB   LEU   4          2HB       LEU   4   3.444 -12.299   7.720
   37   2HB   LEU   4          1HB       LEU   4   2.372 -13.697   7.676
   38    HG   LEU   4           HG       LEU   4   5.183 -14.365   8.249
   39   1HD1  LEU   4          1HD1      LEU   4   3.819 -13.274  10.626
   40   2HD1  LEU   4          2HD1      LEU   4   4.323 -12.057   9.456
   41   3HD1  LEU   4          3HD1      LEU   4   5.513 -13.158  10.149
   42   1HD2  LEU   4          1HD2      LEU   4   2.854 -15.675   8.439
   43   2HD2  LEU   4          2HD2      LEU   4   2.882 -14.973  10.056
   44   3HD2  LEU   4          3HD2      LEU   4   4.199 -16.019   9.525
   45    H    PHE   5           H        PHE   5   4.994 -12.531   4.230
   46    HA   PHE   5           HA       PHE   5   2.794 -10.742   3.588
   47   1HB   PHE   5          2HB       PHE   5   5.571 -11.178   2.964
   48   2HB   PHE   5          1HB       PHE   5   4.669 -10.958   1.465
   49    HD1  PHE   5           HD1      PHE   5   5.077  -8.745   0.770
   50    HD2  PHE   5           HD2      PHE   5   4.085  -9.530   4.877
   51    HE1  PHE   5           HE1      PHE   5   4.952  -6.306   1.209
   52    HE2  PHE   5           HE2      PHE   5   3.960  -7.091   5.313
   53    HZ   PHE   5           HZ       PHE   5   4.393  -5.480   3.479
   54    H    LYS   6           H        LYS   6   2.638 -10.799   0.845
   55    HA   LYS   6           HA       LYS   6   2.059 -13.506  -0.141
   56   1HB   LYS   6          2HB       LYS   6   0.069 -11.762   1.136
   57   2HB   LYS   6          1HB       LYS   6  -0.416 -12.297  -0.472
   58   1HG   LYS   6          2HG       LYS   6   0.389 -14.652   0.377
   59   2HG   LYS   6          1HG       LYS   6   0.153 -13.943   1.974
   60   1HD   LYS   6          2HD       LYS   6  -2.151 -13.160   0.825
   61   2HD   LYS   6          1HD       LYS   6  -1.859 -14.626  -0.112
   62   1HE   LYS   6          2HE       LYS   6  -1.856 -14.508   2.928
   63   2HE   LYS   6          1HE       LYS   6  -3.207 -15.096   1.938
   64   1HZ   LYS   6          1HZ       LYS   6  -1.610 -16.860   2.674
   65   2HZ   LYS   6          2HZ       LYS   6  -0.434 -16.125   1.691
   66   3HZ   LYS   6          3HZ       LYS   6  -1.845 -16.771   0.997
   67    H    LYS   7           H        LYS   7   1.551 -10.004  -0.556
   68    HA   LYS   7           HA       LYS   7   2.753  -9.948  -3.179
   69   1HB   LYS   7          2HB       LYS   7   0.017 -10.805  -2.932
   70   2HB   LYS   7          1HB       LYS   7   0.058  -9.261  -3.785
   71   1HG   LYS   7          2HG       LYS   7   0.998 -10.183  -5.623
   72   2HG   LYS   7          1HG       LYS   7   2.162 -11.101  -4.667
   73   1HD   LYS   7          2HD       LYS   7   0.966 -12.955  -5.108
   74   2HD   LYS   7          1HD       LYS   7  -0.346 -12.276  -4.143
   75   1HE   LYS   7          2HE       LYS   7  -1.240 -11.130  -6.144
   76   2HE   LYS   7          1HE       LYS   7   0.074 -11.816  -7.120
   77   1HZ   LYS   7          1HZ       LYS   7  -2.270 -13.114  -6.011
   78   2HZ   LYS   7          2HZ       LYS   7  -0.820 -13.981  -5.827
   79   3HZ   LYS   7          3HZ       LYS   7  -1.350 -13.523  -7.375
   80    H    ILE   8           H        ILE   8   2.339  -7.724  -4.216
   81    HA   ILE   8           HA       ILE   8   1.636  -5.706  -2.113
   82    HB   ILE   8           HB       ILE   8   3.798  -5.429  -4.210
   83   1HG1  ILE   8          2HG1      ILE   8   3.870  -6.694  -1.467
   84   2HG1  ILE   8          1HG1      ILE   8   4.538  -7.312  -2.976
   85   1HG2  ILE   8          1HG2      ILE   8   2.609  -3.618  -2.473
   86   2HG2  ILE   8          2HG2      ILE   8   4.187  -3.420  -3.235
   87   3HG2  ILE   8          3HG2      ILE   8   4.070  -4.099  -1.612
   88   1HD1  ILE   8          1HD1      ILE   8   5.831  -4.870  -2.648
   89   2HD1  ILE   8          2HD1      ILE   8   6.515  -6.457  -2.294
   90   3HD1  ILE   8          3HD1      ILE   8   5.750  -5.519  -1.010
   91    H    GLY   9           H        GLY   9   1.265  -6.770  -5.392
   92   1HA   GLY   9          2HA       GLY   9   0.590  -4.335  -6.678
   93   2HA   GLY   9          1HA       GLY   9  -0.064  -5.908  -7.135
   94    H    ILE  10           H        ILE  10  -1.020  -6.138  -4.261
   95    HA   ILE  10           HA       ILE  10  -3.530  -4.554  -4.623
   96    HB   ILE  10           HB       ILE  10  -3.095  -6.968  -2.853
   97   1HG1  ILE  10          2HG1      ILE  10  -3.871  -6.935  -5.788
   98   2HG1  ILE  10          1HG1      ILE  10  -2.343  -7.530  -5.143
   99   1HG2  ILE  10          1HG2      ILE  10  -5.428  -5.487  -4.029
  100   2HG2  ILE  10          2HG2      ILE  10  -5.196  -6.071  -2.383
  101   3HG2  ILE  10          3HG2      ILE  10  -5.593  -7.206  -3.672
  102   1HD1  ILE  10          1HD1      ILE  10  -3.375  -9.351  -4.049
  103   2HD1  ILE  10          2HD1      ILE  10  -4.197  -9.272  -5.608
  104   3HD1  ILE  10          3HD1      ILE  10  -4.978  -8.625  -4.165
  105    H    GLY  11           H        GLY  11  -0.695  -4.678  -2.810
  106   1HA   GLY  11          2HA       GLY  11  -1.461  -4.151  -0.169
  107   2HA   GLY  11          1HA       GLY  11  -0.026  -3.454  -0.910
  108    H    LYS  12           H        LYS  12  -1.113  -1.870  -2.827
  109    HA   LYS  12           HA       LYS  12  -2.095   0.403  -1.279
  110   1HB   LYS  12          2HB       LYS  12  -1.918   0.104  -4.286
  111   2HB   LYS  12          1HB       LYS  12  -1.753   1.580  -3.335
  112   1HG   LYS  12          2HG       LYS  12   0.203  -0.015  -2.247
  113   2HG   LYS  12          1HG       LYS  12   0.248  -0.492  -3.944
  114   1HD   LYS  12          2HD       LYS  12   1.261   1.435  -4.513
  115   2HD   LYS  12          1HD       LYS  12  -0.008   2.377  -3.732
  116   1HE   LYS  12          2HE       LYS  12   2.291   1.083  -2.224
  117   2HE   LYS  12          1HE       LYS  12   2.266   2.784  -2.732
  118   1HZ   LYS  12          1HZ       LYS  12   0.768   1.471  -0.638
  119   2HZ   LYS  12          2HZ       LYS  12  -0.176   2.468  -1.639
  120   3HZ   LYS  12          3HZ       LYS  12   1.165   3.109  -0.818
  121    H    PHE  13           H        PHE  13  -3.600  -2.281  -2.611
  122    HA   PHE  13           HA       PHE  13  -5.993  -1.125  -3.728
  123   1HB   PHE  13          2HB       PHE  13  -4.932  -3.469  -3.972
  124   2HB   PHE  13          1HB       PHE  13  -5.711  -3.833  -2.433
  125    HD1  PHE  13           HD1      PHE  13  -6.121  -4.163  -5.847
  126    HD2  PHE  13           HD2      PHE  13  -8.277  -2.827  -2.381
  127    HE1  PHE  13           HE1      PHE  13  -8.268  -4.572  -7.021
  128    HE2  PHE  13           HE2      PHE  13 -10.422  -3.235  -3.555
  129    HZ   PHE  13           HZ       PHE  13 -10.417  -4.108  -5.878
  130    H    LEU  14           H        LEU  14  -5.636  -2.999  -0.760
  131    HA   LEU  14           HA       LEU  14  -8.096  -2.218   0.424
  132   1HB   LEU  14          2HB       LEU  14  -7.145  -3.230   2.416
  133   2HB   LEU  14          1HB       LEU  14  -6.581  -4.146   1.018
  134    HG   LEU  14           HG       LEU  14  -4.798  -1.930   1.544
  135   1HD1  LEU  14          1HD1      LEU  14  -5.131  -1.931   3.831
  136   2HD1  LEU  14          2HD1      LEU  14  -3.960  -3.245   3.715
  137   3HD1  LEU  14          3HD1      LEU  14  -5.679  -3.607   3.855
  138   1HD2  LEU  14          1HD2      LEU  14  -3.290  -3.501   0.895
  139   2HD2  LEU  14          2HD2      LEU  14  -4.697  -4.502   0.537
  140   3HD2  LEU  14          3HD2      LEU  14  -3.869  -4.667   2.086
  141    H    HIS  15           H        HIS  15  -5.177  -0.484   0.034
  142    HA   HIS  15           HA       HIS  15  -5.327   1.271   2.322
  143   1HB   HIS  15          2HB       HIS  15  -3.506   0.642   0.452
  144   2HB   HIS  15          1HB       HIS  15  -4.154   2.099  -0.294
  145    HD1  HIS  15           HD1      HIS  15  -4.387   4.172   1.650
  146    HD2  HIS  15           HD2      HIS  15  -1.470   1.244   2.184
  147    HE1  HIS  15           HE1      HIS  15  -2.676   5.145   3.245
  148    H    SER  16           H        SER  16  -5.921   2.017  -1.136
  149    HA   SER  16           HA       SER  16  -7.391   4.422  -0.604
  150   1HB   SER  16          2HB       SER  16  -7.664   4.441  -2.948
  151   2HB   SER  16          1HB       SER  16  -6.195   3.493  -2.733
  152    HG   SER  16           HG       SER  16  -8.844   2.556  -3.136
  153    H    ALA  17           H        ALA  17  -8.210   1.134  -0.308
  154    HA   ALA  17           HA       ALA  17 -11.015   1.191  -0.931
  155   1HB   ALA  17          1HB       ALA  17  -9.132  -0.672  -0.236
  156   2HB   ALA  17          2HB       ALA  17 -10.867  -0.990  -0.231
  157   3HB   ALA  17          3HB       ALA  17 -10.046  -0.549   1.268
  158    H    LYS  18           H        LYS  18  -9.204   1.626   2.123
  159    HA   LYS  18           HA       LYS  18 -11.583   2.239   3.678
  160   1HB   LYS  18          2HB       LYS  18  -8.747   3.019   4.357
  161   2HB   LYS  18          1HB       LYS  18 -10.029   2.494   5.448
  162   1HG   LYS  18          2HG       LYS  18  -9.911   0.273   4.022
  163   2HG   LYS  18          1HG       LYS  18  -8.289   0.851   3.643
  164   1HD   LYS  18          2HD       LYS  18  -7.601   0.015   5.615
  165   2HD   LYS  18          1HD       LYS  18  -8.597   1.229   6.418
  166   1HE   LYS  18          2HE       LYS  18 -10.358  -0.260   6.780
  167   2HE   LYS  18          1HE       LYS  18  -9.899  -1.291   5.411
  168   1HZ   LYS  18          1HZ       LYS  18  -8.317  -2.342   6.605
  169   2HZ   LYS  18          2HZ       LYS  18  -9.263  -1.861   7.933
  170   3HZ   LYS  18          3HZ       LYS  18  -7.895  -0.957   7.488
  171    H    LYS  19           H        LYS  19  -9.458   3.985   1.614
  172    HA   LYS  19           HA       LYS  19 -10.146   6.646   2.681
  173   1HB   LYS  19          2HB       LYS  19  -8.180   5.414   0.987
  174   2HB   LYS  19          1HB       LYS  19  -8.929   6.745   0.106
  175   1HG   LYS  19          2HG       LYS  19  -8.141   7.204   2.957
  176   2HG   LYS  19          1HG       LYS  19  -6.872   7.178   1.732
  177   1HD   LYS  19          2HD       LYS  19  -7.393   9.324   1.284
  178   2HD   LYS  19          1HD       LYS  19  -8.910   8.735   0.605
  179   1HE   LYS  19          2HE       LYS  19  -9.317   8.727   3.391
  180   2HE   LYS  19          1HE       LYS  19  -8.493  10.261   3.035
  181   1HZ   LYS  19          1HZ       LYS  19 -10.911  10.409   2.696
  182   2HZ   LYS  19          2HZ       LYS  19 -10.815   9.185   1.522
  183   3HZ   LYS  19          3HZ       LYS  19 -10.048  10.680   1.261
  184    H    PHE  20           H        PHE  20 -10.323   5.462  -0.684
  185    HA   PHE  20           HA       PHE  20 -12.793   7.058  -1.089
  186   1HB   PHE  20          2HB       PHE  20 -10.608   6.878  -2.559
  187   2HB   PHE  20          1HB       PHE  20 -11.379   5.418  -3.174
  188    HD1  PHE  20           HD1      PHE  20 -10.843   7.627  -5.020
  189    HD2  PHE  20           HD2      PHE  20 -14.201   6.992  -2.414
  190    HE1  PHE  20           HE1      PHE  20 -12.265   9.007  -6.512
  191    HE2  PHE  20           HE2      PHE  20 -15.619   8.374  -3.907
  192    HZ   PHE  20           HZ       PHE  20 -14.651   9.380  -5.956
  193   1HN   NH2  21          1HN       NH2  21 -11.688   3.639  -1.439
  194   2HN   NH2  21          2HN       NH2  21 -13.248   2.972  -1.477
  Start of MODEL    6
    1   1H    LYS   1          1H        LYS   1   0.971  -2.466  17.737
    2   2H    LYS   1          2H        LYS   1  -0.518  -2.991  17.107
    3   3H    LYS   1          3H        LYS   1  -0.363  -1.418  17.731
    4    HA   LYS   1           HA       LYS   1   0.586  -0.603  15.862
    5   1HB   LYS   1          2HB       LYS   1   2.599  -1.909  16.318
    6   2HB   LYS   1          1HB       LYS   1   1.829  -3.366  15.691
    7   1HG   LYS   1          2HG       LYS   1   2.279  -2.801  13.549
    8   2HG   LYS   1          1HG       LYS   1   1.730  -1.143  13.792
    9   1HD   LYS   1          2HD       LYS   1   4.319  -1.936  15.052
   10   2HD   LYS   1          1HD       LYS   1   4.299  -1.704  13.303
   11   1HE   LYS   1          2HE       LYS   1   4.793   0.465  14.108
   12   2HE   LYS   1          1HE       LYS   1   3.034   0.533  13.886
   13   1HZ   LYS   1          1HZ       LYS   1   4.037  -0.553  16.406
   14   2HZ   LYS   1          2HZ       LYS   1   2.641   0.367  16.102
   15   3HZ   LYS   1          3HZ       LYS   1   4.160   1.125  16.190
   16    H    ALA   2           H        ALA   2  -2.036  -1.654  15.955
   17    HA   ALA   2           HA       ALA   2  -3.784  -2.288  14.497
   18   1HB   ALA   2          1HB       ALA   2  -1.815  -2.067  12.242
   19   2HB   ALA   2          2HB       ALA   2  -2.202  -0.625  13.180
   20   3HB   ALA   2          3HB       ALA   2  -3.479  -1.489  12.325
   21    H    LYS   3           H        LYS   3  -3.959  -3.847  12.309
   22    HA   LYS   3           HA       LYS   3  -2.365  -6.316  12.899
   23   1HB   LYS   3          2HB       LYS   3  -5.347  -6.053  12.374
   24   2HB   LYS   3          1HB       LYS   3  -4.488  -7.572  12.635
   25   1HG   LYS   3          2HG       LYS   3  -3.932  -6.976  14.888
   26   2HG   LYS   3          1HG       LYS   3  -4.456  -5.309  14.644
   27   1HD   LYS   3          2HD       LYS   3  -6.781  -6.163  14.234
   28   2HD   LYS   3          1HD       LYS   3  -6.216  -7.776  14.669
   29   1HE   LYS   3          2HE       LYS   3  -5.793  -5.435  16.535
   30   2HE   LYS   3          1HE       LYS   3  -7.296  -6.377  16.560
   31   1HZ   LYS   3          1HZ       LYS   3  -5.070  -7.098  17.866
   32   2HZ   LYS   3          2HZ       LYS   3  -4.861  -7.940  16.405
   33   3HZ   LYS   3          3HZ       LYS   3  -6.256  -8.191  17.343
   34    H    LEU   4           H        LEU   4  -1.195  -5.302  10.951
   35    HA   LEU   4           HA       LEU   4  -2.428  -6.352   8.439
   36   1HB   LEU   4          2HB       LEU   4  -1.135  -3.641   8.901
   37   2HB   LEU   4          1HB       LEU   4  -1.653  -4.252   7.329
   38    HG   LEU   4           HG       LEU   4  -3.840  -4.593   9.110
   39   1HD1  LEU   4          1HD1      LEU   4  -2.369  -1.985   9.401
   40   2HD1  LEU   4          2HD1      LEU   4  -3.148  -2.964  10.644
   41   3HD1  LEU   4          3HD1      LEU   4  -4.128  -2.023   9.521
   42   1HD2  LEU   4          1HD2      LEU   4  -4.294  -4.235   6.834
   43   2HD2  LEU   4          2HD2      LEU   4  -3.186  -2.867   6.730
   44   3HD2  LEU   4          3HD2      LEU   4  -4.734  -2.687   7.556
   45    H    PHE   5           H        PHE   5  -0.487  -7.726   9.915
   46    HA   PHE   5           HA       PHE   5   2.193  -7.065   8.938
   47   1HB   PHE   5          2HB       PHE   5   0.875  -9.196  10.617
   48   2HB   PHE   5          1HB       PHE   5   2.568  -9.320  10.164
   49    HD1  PHE   5           HD1      PHE   5   0.933  -8.708  12.926
   50    HD2  PHE   5           HD2      PHE   5   3.391  -6.456  10.215
   51    HE1  PHE   5           HE1      PHE   5   1.529  -7.150  14.760
   52    HE2  PHE   5           HE2      PHE   5   3.985  -4.899  12.048
   53    HZ   PHE   5           HZ       PHE   5   3.055  -5.245  14.321
   54    H    LYS   6           H        LYS   6   0.085  -7.745   6.896
   55    HA   LYS   6           HA       LYS   6   1.594  -9.923   5.535
   56   1HB   LYS   6          2HB       LYS   6  -0.512 -10.649   6.921
   57   2HB   LYS   6          1HB       LYS   6  -1.418  -9.930   5.589
   58   1HG   LYS   6          2HG       LYS   6  -1.196 -11.987   4.638
   59   2HG   LYS   6          1HG       LYS   6   0.423 -11.419   4.222
   60   1HD   LYS   6          2HD       LYS   6   1.334 -13.003   5.533
   61   2HD   LYS   6          1HD       LYS   6   0.458 -12.369   6.926
   62   1HE   LYS   6          2HE       LYS   6  -1.567 -13.679   6.139
   63   2HE   LYS   6          1HE       LYS   6  -0.503 -14.461   4.952
   64   1HZ   LYS   6          1HZ       LYS   6   0.564 -14.296   7.639
   65   2HZ   LYS   6          2HZ       LYS   6   0.593 -15.588   6.537
   66   3HZ   LYS   6          3HZ       LYS   6  -0.789 -15.305   7.482
   67    H    LYS   7           H        LYS   7   1.789  -7.233   4.861
   68    HA   LYS   7           HA       LYS   7   0.558  -7.221   2.170
   69   1HB   LYS   7          2HB       LYS   7  -0.524  -5.048   2.577
   70   2HB   LYS   7          1HB       LYS   7  -1.111  -6.241   3.735
   71   1HG   LYS   7          2HG       LYS   7  -0.553  -4.732   5.326
   72   2HG   LYS   7          1HG       LYS   7   1.116  -5.206   5.006
   73   1HD   LYS   7          2HD       LYS   7   1.130  -3.449   3.160
   74   2HD   LYS   7          1HD       LYS   7  -0.401  -2.873   3.819
   75   1HE   LYS   7          2HE       LYS   7   1.389  -1.556   4.818
   76   2HE   LYS   7          1HE       LYS   7   0.762  -2.648   6.069
   77   1HZ   LYS   7          1HZ       LYS   7   2.790  -3.810   4.372
   78   2HZ   LYS   7          2HZ       LYS   7   2.624  -3.870   6.062
   79   3HZ   LYS   7          3HZ       LYS   7   3.350  -2.524   5.323
   80    H    ILE   8           H        ILE   8   2.206  -6.600   0.826
   81    HA   ILE   8           HA       ILE   8   4.181  -4.586   1.852
   82    HB   ILE   8           HB       ILE   8   4.766  -6.843  -0.075
   83   1HG1  ILE   8          2HG1      ILE   8   4.741  -6.832   2.948
   84   2HG1  ILE   8          1HG1      ILE   8   4.009  -8.006   1.856
   85   1HG2  ILE   8          1HG2      ILE   8   6.220  -4.625   0.715
   86   2HG2  ILE   8          2HG2      ILE   8   6.905  -6.101   0.036
   87   3HG2  ILE   8          3HG2      ILE   8   6.827  -5.889   1.785
   88   1HD1  ILE   8          1HD1      ILE   8   6.731  -7.906   2.908
   89   2HD1  ILE   8          2HD1      ILE   8   6.704  -8.038   1.149
   90   3HD1  ILE   8          3HD1      ILE   8   5.878  -9.243   2.138
   91    H    GLY   9           H        GLY   9   3.085  -6.146  -1.193
   92   1HA   GLY   9          2HA       GLY   9   3.336  -3.471  -2.503
   93   2HA   GLY   9          1HA       GLY   9   3.508  -5.004  -3.357
   94    H    ILE  10           H        ILE  10   1.083  -5.595  -1.274
   95    HA   ILE  10           HA       ILE  10  -0.990  -4.885  -3.304
   96    HB   ILE  10           HB       ILE  10  -1.279  -6.803  -0.993
   97   1HG1  ILE  10          2HG1      ILE  10  -0.104  -7.475  -3.712
   98   2HG1  ILE  10          1HG1      ILE  10   0.847  -7.320  -2.234
   99   1HG2  ILE  10          1HG2      ILE  10  -2.495  -7.861  -3.225
  100   2HG2  ILE  10          2HG2      ILE  10  -2.713  -6.129  -3.475
  101   3HG2  ILE  10          3HG2      ILE  10  -3.312  -6.889  -2.001
  102   1HD1  ILE  10          1HD1      ILE  10  -1.447  -9.052  -1.817
  103   2HD1  ILE  10          2HD1      ILE  10   0.265  -9.387  -1.554
  104   3HD1  ILE  10          3HD1      ILE  10  -0.448  -9.633  -3.148
  105    H    GLY  11           H        GLY  11   0.194  -3.892  -0.321
  106   1HA   GLY  11          2HA       GLY  11  -2.117  -3.350   1.206
  107   2HA   GLY  11          1HA       GLY  11  -0.638  -2.402   1.294
  108    H    LYS  12           H        LYS  12  -0.975  -1.878  -1.685
  109    HA   LYS  12           HA       LYS  12  -2.260   0.681  -1.491
  110   1HB   LYS  12          2HB       LYS  12  -0.589  -0.625  -3.222
  111   2HB   LYS  12          1HB       LYS  12  -2.100  -0.640  -4.135
  112   1HG   LYS  12          2HG       LYS  12  -1.693   1.494  -4.720
  113   2HG   LYS  12          1HG       LYS  12  -1.911   1.944  -3.028
  114   1HD   LYS  12          2HD       LYS  12   0.718   0.766  -3.564
  115   2HD   LYS  12          1HD       LYS  12   0.430   2.250  -4.474
  116   1HE   LYS  12          2HE       LYS  12   1.167   3.223  -2.514
  117   2HE   LYS  12          1HE       LYS  12  -0.528   3.002  -2.041
  118   1HZ   LYS  12          1HZ       LYS  12   0.703   0.553  -1.671
  119   2HZ   LYS  12          2HZ       LYS  12   0.181   1.627  -0.464
  120   3HZ   LYS  12          3HZ       LYS  12   1.780   1.695  -1.030
  121    H    PHE  13           H        PHE  13  -3.393  -2.513  -2.509
  122    HA   PHE  13           HA       PHE  13  -5.838  -1.853  -3.740
  123   1HB   PHE  13          2HB       PHE  13  -4.579  -4.085  -3.355
  124   2HB   PHE  13          1HB       PHE  13  -5.453  -4.146  -1.828
  125    HD1  PHE  13           HD1      PHE  13  -7.912  -4.319  -1.785
  126    HD2  PHE  13           HD2      PHE  13  -5.721  -4.374  -5.477
  127    HE1  PHE  13           HE1      PHE  13  -9.915  -5.190  -2.960
  128    HE2  PHE  13           HE2      PHE  13  -7.723  -5.244  -6.654
  129    HZ   PHE  13           HZ       PHE  13  -9.819  -5.651  -5.395
  130    H    LEU  14           H        LEU  14  -5.458  -2.881  -0.388
  131    HA   LEU  14           HA       LEU  14  -8.059  -1.899   0.438
  132   1HB   LEU  14          2HB       LEU  14  -5.574  -2.926   1.822
  133   2HB   LEU  14          1HB       LEU  14  -7.014  -2.450   2.724
  134    HG   LEU  14           HG       LEU  14  -7.445  -4.263   0.408
  135   1HD1  LEU  14          1HD1      LEU  14  -5.417  -4.872   2.254
  136   2HD1  LEU  14          2HD1      LEU  14  -6.210  -5.998   1.153
  137   3HD1  LEU  14          3HD1      LEU  14  -6.819  -5.796   2.795
  138   1HD2  LEU  14          1HD2      LEU  14  -9.304  -3.515   1.814
  139   2HD2  LEU  14          2HD2      LEU  14  -8.483  -4.113   3.256
  140   3HD2  LEU  14          3HD2      LEU  14  -9.058  -5.248   2.036
  141    H    HIS  15           H        HIS  15  -5.296  -0.220  -0.343
  142    HA   HIS  15           HA       HIS  15  -5.180   1.698   1.836
  143   1HB   HIS  15          2HB       HIS  15  -3.502   0.944  -0.084
  144   2HB   HIS  15          1HB       HIS  15  -4.273   2.263  -0.962
  145    HD1  HIS  15           HD1      HIS  15  -4.684   4.308   1.261
  146    HD2  HIS  15           HD2      HIS  15  -1.163   2.118   0.830
  147    HE1  HIS  15           HE1      HIS  15  -2.873   5.624   2.445
  148    H    SER  16           H        SER  16  -6.214   2.078  -1.581
  149    HA   SER  16           HA       SER  16  -7.642   4.549  -1.005
  150   1HB   SER  16          2HB       SER  16  -7.372   4.692  -3.246
  151   2HB   SER  16          1HB       SER  16  -6.649   3.087  -3.225
  152    HG   SER  16           HG       SER  16  -9.405   3.742  -3.466
  153    H    ALA  17           H        ALA  17  -8.364   1.312  -0.472
  154    HA   ALA  17           HA       ALA  17 -11.211   1.350  -1.109
  155   1HB   ALA  17          1HB       ALA  17 -10.723  -0.850  -0.944
  156   2HB   ALA  17          2HB       ALA  17 -10.576  -0.647   0.801
  157   3HB   ALA  17          3HB       ALA  17  -9.154  -0.478  -0.228
  158    H    LYS  18           H        LYS  18  -9.316   1.461   1.938
  159    HA   LYS  18           HA       LYS  18 -11.707   2.043   3.526
  160   1HB   LYS  18          2HB       LYS  18  -8.791   2.275   4.306
  161   2HB   LYS  18          1HB       LYS  18 -10.163   1.940   5.363
  162   1HG   LYS  18          2HG       LYS  18 -10.522  -0.159   3.884
  163   2HG   LYS  18          1HG       LYS  18  -8.870   0.126   3.334
  164   1HD   LYS  18          2HD       LYS  18  -8.194  -1.013   5.159
  165   2HD   LYS  18          1HD       LYS  18  -8.705   0.388   6.102
  166   1HE   LYS  18          2HE       LYS  18 -11.040  -1.155   5.475
  167   2HE   LYS  18          1HE       LYS  18  -9.814  -2.237   6.166
  168   1HZ   LYS  18          1HZ       LYS  18 -10.678  -1.325   8.066
  169   2HZ   LYS  18          2HZ       LYS  18 -11.039   0.164   7.333
  170   3HZ   LYS  18          3HZ       LYS  18  -9.436  -0.216   7.750
  171    H    LYS  19           H        LYS  19  -9.399   3.831   1.747
  172    HA   LYS  19           HA       LYS  19  -9.517   6.323   3.243
  173   1HB   LYS  19          2HB       LYS  19  -8.462   5.267   0.667
  174   2HB   LYS  19          1HB       LYS  19  -8.739   7.008   0.740
  175   1HG   LYS  19          2HG       LYS  19  -7.450   7.025   2.909
  176   2HG   LYS  19          1HG       LYS  19  -7.014   5.348   2.581
  177   1HD   LYS  19          2HD       LYS  19  -5.951   6.005   0.475
  178   2HD   LYS  19          1HD       LYS  19  -6.442   7.679   0.730
  179   1HE   LYS  19          2HE       LYS  19  -4.862   6.335   2.897
  180   2HE   LYS  19          1HE       LYS  19  -4.007   6.888   1.443
  181   1HZ   LYS  19          1HZ       LYS  19  -4.357   9.021   1.958
  182   2HZ   LYS  19          2HZ       LYS  19  -4.738   8.477   3.521
  183   3HZ   LYS  19          3HZ       LYS  19  -5.975   8.756   2.393
  184    H    PHE  20           H        PHE  20 -11.264   4.917   0.515
  185    HA   PHE  20           HA       PHE  20 -12.836   7.370   0.069
  186   1HB   PHE  20          2HB       PHE  20 -11.856   5.453  -1.525
  187   2HB   PHE  20          1HB       PHE  20 -13.422   4.724  -1.180
  188    HD1  PHE  20           HD1      PHE  20 -14.687   5.028  -3.125
  189    HD2  PHE  20           HD2      PHE  20 -12.481   8.330  -1.492
  190    HE1  PHE  20           HE1      PHE  20 -15.768   6.552  -4.759
  191    HE2  PHE  20           HE2      PHE  20 -13.561   9.858  -3.126
  192    HZ   PHE  20           HZ       PHE  20 -15.205   8.967  -4.759
  193   1HN   NH2  21          1HN       NH2  21 -13.169   6.036   2.720
  194   2HN   NH2  21          2HN       NH2  21 -14.782   5.515   2.801
  Start of MODEL    7
    1   1H    LYS   1          1H        LYS   1  15.938 -17.414  -6.890
    2   2H    LYS   1          2H        LYS   1  17.112 -16.736  -5.866
    3   3H    LYS   1          3H        LYS   1  17.366 -16.774  -7.545
    4    HA   LYS   1           HA       LYS   1  15.631 -14.994  -5.968
    5   1HB   LYS   1          2HB       LYS   1  17.968 -14.979  -7.694
    6   2HB   LYS   1          1HB       LYS   1  16.747 -13.852  -8.285
    7   1HG   LYS   1          2HG       LYS   1  16.653 -12.722  -6.157
    8   2HG   LYS   1          1HG       LYS   1  17.677 -13.947  -5.404
    9   1HD   LYS   1          2HD       LYS   1  19.580 -13.021  -6.216
   10   2HD   LYS   1          1HD       LYS   1  18.864 -12.728  -7.801
   11   1HE   LYS   1          2HE       LYS   1  18.392 -11.035  -5.317
   12   2HE   LYS   1          1HE       LYS   1  19.388 -10.576  -6.713
   13   1HZ   LYS   1          1HZ       LYS   1  17.138 -11.375  -7.912
   14   2HZ   LYS   1          2HZ       LYS   1  17.455  -9.759  -7.493
   15   3HZ   LYS   1          3HZ       LYS   1  16.499 -10.732  -6.479
   16    H    ALA   2           H        ALA   2  15.867 -16.652  -9.102
   17    HA   ALA   2           HA       ALA   2  14.282 -16.873 -10.842
   18   1HB   ALA   2          1HB       ALA   2  12.440 -17.764  -9.873
   19   2HB   ALA   2          2HB       ALA   2  11.972 -16.197  -9.212
   20   3HB   ALA   2          3HB       ALA   2  13.086 -17.232  -8.320
   21    H    LYS   3           H        LYS   3  12.413 -15.597 -11.942
   22    HA   LYS   3           HA       LYS   3  12.580 -12.674 -11.337
   23   1HB   LYS   3          2HB       LYS   3  12.755 -12.439 -13.906
   24   2HB   LYS   3          1HB       LYS   3  14.196 -12.991 -13.053
   25   1HG   LYS   3          2HG       LYS   3  13.807 -15.267 -13.666
   26   2HG   LYS   3          1HG       LYS   3  12.172 -14.909 -14.223
   27   1HD   LYS   3          2HD       LYS   3  12.942 -14.423 -16.279
   28   2HD   LYS   3          1HD       LYS   3  14.035 -13.211 -15.609
   29   1HE   LYS   3          2HE       LYS   3  15.812 -14.568 -15.969
   30   2HE   LYS   3          1HE       LYS   3  15.042 -15.868 -15.038
   31   1HZ   LYS   3          1HZ       LYS   3  13.700 -16.424 -16.957
   32   2HZ   LYS   3          2HZ       LYS   3  15.345 -16.491 -17.374
   33   3HZ   LYS   3          3HZ       LYS   3  14.398 -15.167 -17.855
   34    H    LEU   4           H        LEU   4  10.369 -13.861 -10.507
   35    HA   LEU   4           HA       LEU   4   8.343 -13.192 -12.597
   36   1HB   LEU   4          2HB       LEU   4   7.095 -15.259 -11.809
   37   2HB   LEU   4          1HB       LEU   4   8.590 -15.587 -12.683
   38    HG   LEU   4           HG       LEU   4   9.668 -15.546 -10.281
   39   1HD1  LEU   4          1HD1      LEU   4   7.290 -16.789  -9.198
   40   2HD1  LEU   4          2HD1      LEU   4   6.950 -15.122  -9.661
   41   3HD1  LEU   4          3HD1      LEU   4   8.255 -15.473  -8.528
   42   1HD2  LEU   4          1HD2      LEU   4   9.885 -17.614 -11.243
   43   2HD2  LEU   4          2HD2      LEU   4   8.201 -17.661 -11.765
   44   3HD2  LEU   4          3HD2      LEU   4   8.617 -18.040 -10.094
   45    H    PHE   5           H        PHE   5   9.502 -12.501  -9.604
   46    HA   PHE   5           HA       PHE   5   7.363 -12.520  -7.799
   47   1HB   PHE   5          2HB       PHE   5   8.569 -10.348  -7.026
   48   2HB   PHE   5          1HB       PHE   5   9.486 -11.844  -7.029
   49    HD1  PHE   5           HD1      PHE   5   8.713  -8.839  -9.123
   50    HD2  PHE   5           HD2      PHE   5  11.473 -12.017  -8.267
   51    HE1  PHE   5           HE1      PHE   5  10.359  -7.829 -10.679
   52    HE2  PHE   5           HE2      PHE   5  13.120 -11.007  -9.821
   53    HZ   PHE   5           HZ       PHE   5  12.563  -8.915 -11.029
   54    H    LYS   6           H        LYS   6   5.683 -10.999  -7.360
   55    HA   LYS   6           HA       LYS   6   5.224  -8.800  -9.305
   56   1HB   LYS   6          2HB       LYS   6   4.282 -11.199  -9.944
   57   2HB   LYS   6          1HB       LYS   6   3.015 -10.764  -8.796
   58   1HG   LYS   6          2HG       LYS   6   2.131  -9.187 -10.176
   59   2HG   LYS   6          1HG       LYS   6   3.716  -8.631 -10.714
   60   1HD   LYS   6          2HD       LYS   6   3.844 -10.876 -11.998
   61   2HD   LYS   6          1HD       LYS   6   2.103 -10.968 -11.733
   62   1HE   LYS   6          2HE       LYS   6   2.099  -9.810 -13.743
   63   2HE   LYS   6          1HE       LYS   6   2.258  -8.427 -12.641
   64   1HZ   LYS   6          1HZ       LYS   6   4.798  -9.379 -12.862
   65   2HZ   LYS   6          2HZ       LYS   6   4.177  -8.028 -13.685
   66   3HZ   LYS   6          3HZ       LYS   6   4.198  -9.551 -14.439
   67    H    LYS   7           H        LYS   7   5.720  -7.844  -7.013
   68    HA   LYS   7           HA       LYS   7   3.113  -7.523  -5.572
   69   1HB   LYS   7          2HB       LYS   7   5.589  -8.736  -4.703
   70   2HB   LYS   7          1HB       LYS   7   5.229  -7.326  -3.705
   71   1HG   LYS   7          2HG       LYS   7   3.735  -8.579  -2.580
   72   2HG   LYS   7          1HG       LYS   7   2.770  -8.663  -4.053
   73   1HD   LYS   7          2HD       LYS   7   3.116 -10.921  -3.682
   74   2HD   LYS   7          1HD       LYS   7   4.523 -10.560  -4.683
   75   1HE   LYS   7          2HE       LYS   7   5.915 -11.125  -2.989
   76   2HE   LYS   7          1HE       LYS   7   5.109  -9.975  -1.904
   77   1HZ   LYS   7          1HZ       LYS   7   3.234 -11.710  -1.897
   78   2HZ   LYS   7          2HZ       LYS   7   4.612 -12.016  -0.951
   79   3HZ   LYS   7          3HZ       LYS   7   4.416 -12.793  -2.450
   80    H    ILE   8           H        ILE   8   2.763  -5.405  -6.383
   81    HA   ILE   8           HA       ILE   8   4.699  -3.348  -5.415
   82    HB   ILE   8           HB       ILE   8   3.361  -3.365  -8.131
   83   1HG1  ILE   8          2HG1      ILE   8   5.909  -4.602  -7.155
   84   2HG1  ILE   8          1HG1      ILE   8   4.795  -5.170  -8.395
   85   1HG2  ILE   8          1HG2      ILE   8   4.565  -1.438  -8.562
   86   2HG2  ILE   8          2HG2      ILE   8   5.872  -1.886  -7.466
   87   3HG2  ILE   8          3HG2      ILE   8   4.357  -1.258  -6.819
   88   1HD1  ILE   8          1HD1      ILE   8   6.948  -4.399  -9.371
   89   2HD1  ILE   8          2HD1      ILE   8   6.661  -2.795  -8.696
   90   3HD1  ILE   8          3HD1      ILE   8   5.585  -3.433  -9.940
   91    H    GLY   9           H        GLY   9   1.595  -3.534  -7.207
   92   1HA   GLY   9          2HA       GLY   9   0.541  -1.210  -5.815
   93   2HA   GLY   9          1HA       GLY   9  -0.359  -2.244  -6.925
   94    H    ILE  10           H        ILE  10   1.034  -4.296  -4.748
   95    HA   ILE  10           HA       ILE  10  -1.434  -4.982  -3.476
   96    HB   ILE  10           HB       ILE  10   1.341  -5.559  -2.422
   97   1HG1  ILE  10          2HG1      ILE  10   1.632  -6.019  -4.729
   98   2HG1  ILE  10          1HG1      ILE  10   1.162  -7.572  -4.050
   99   1HG2  ILE  10          1HG2      ILE  10  -0.531  -7.764  -2.622
  100   2HG2  ILE  10          2HG2      ILE  10  -1.243  -6.421  -1.730
  101   3HG2  ILE  10          3HG2      ILE  10   0.284  -7.123  -1.196
  102   1HD1  ILE  10          1HD1      ILE  10  -0.308  -7.487  -5.829
  103   2HD1  ILE  10          2HD1      ILE  10  -0.398  -5.726  -5.803
  104   3HD1  ILE  10          3HD1      ILE  10  -1.285  -6.673  -4.607
  105    H    GLY  11           H        GLY  11   0.702  -2.422  -2.893
  106   1HA   GLY  11          2HA       GLY  11   0.171  -2.214  -0.017
  107   2HA   GLY  11          1HA       GLY  11   1.085  -1.058  -0.976
  108    H    LYS  12           H        LYS  12  -0.824  -0.619  -2.976
  109    HA   LYS  12           HA       LYS  12  -2.646   1.222  -1.573
  110   1HB   LYS  12          2HB       LYS  12  -1.507   0.780  -4.248
  111   2HB   LYS  12          1HB       LYS  12  -3.188   1.312  -4.290
  112   1HG   LYS  12          2HG       LYS  12  -2.124   3.368  -4.187
  113   2HG   LYS  12          1HG       LYS  12  -2.316   3.041  -2.463
  114   1HD   LYS  12          2HD       LYS  12  -0.087   2.790  -2.143
  115   2HD   LYS  12          1HD       LYS  12   0.107   1.846  -3.620
  116   1HE   LYS  12          2HE       LYS  12  -0.464   4.360  -4.616
  117   2HE   LYS  12          1HE       LYS  12   0.527   4.724  -3.190
  118   1HZ   LYS  12          1HZ       LYS  12   1.191   2.740  -5.303
  119   2HZ   LYS  12          2HZ       LYS  12   2.124   3.058  -3.920
  120   3HZ   LYS  12          3HZ       LYS  12   1.927   4.255  -5.109
  121    H    PHE  13           H        PHE  13  -2.830  -1.974  -2.013
  122    HA   PHE  13           HA       PHE  13  -5.187  -2.608  -3.402
  123   1HB   PHE  13          2HB       PHE  13  -3.544  -4.181  -2.441
  124   2HB   PHE  13          1HB       PHE  13  -4.084  -3.756  -0.822
  125    HD1  PHE  13           HD1      PHE  13  -4.440  -6.346  -0.752
  126    HD2  PHE  13           HD2      PHE  13  -6.778  -3.671  -3.170
  127    HE1  PHE  13           HE1      PHE  13  -6.233  -8.053  -0.909
  128    HE2  PHE  13           HE2      PHE  13  -8.569  -5.378  -3.326
  129    HZ   PHE  13           HZ       PHE  13  -8.296  -7.569  -2.197
  130    H    LEU  14           H        LEU  14  -5.673  -3.251  -0.066
  131    HA   LEU  14           HA       LEU  14  -8.311  -2.121  -0.044
  132   1HB   LEU  14          2HB       LEU  14  -8.232  -2.805   2.323
  133   2HB   LEU  14          1HB       LEU  14  -7.525  -4.055   1.298
  134    HG   LEU  14           HG       LEU  14  -5.317  -2.572   1.790
  135   1HD1  LEU  14          1HD1      LEU  14  -6.128  -0.971   3.285
  136   2HD1  LEU  14          2HD1      LEU  14  -5.535  -2.215   4.385
  137   3HD1  LEU  14          3HD1      LEU  14  -7.260  -2.097   4.035
  138   1HD2  LEU  14          1HD2      LEU  14  -5.813  -4.356   4.039
  139   2HD2  LEU  14          2HD2      LEU  14  -4.672  -4.533   2.706
  140   3HD2  LEU  14          3HD2      LEU  14  -6.339  -5.077   2.518
  141    H    HIS  15           H        HIS  15  -5.333  -0.580   0.166
  142    HA   HIS  15           HA       HIS  15  -5.757   1.363   2.222
  143   1HB   HIS  15          2HB       HIS  15  -3.711   0.659   0.697
  144   2HB   HIS  15          1HB       HIS  15  -4.312   1.941  -0.346
  145    HD1  HIS  15           HD1      HIS  15  -3.080   4.056   0.123
  146    HD2  HIS  15           HD2      HIS  15  -3.739   1.868   3.610
  147    HE1  HIS  15           HE1      HIS  15  -2.128   5.433   2.024
  148    H    SER  16           H        SER  16  -6.211   1.624  -1.321
  149    HA   SER  16           HA       SER  16  -7.558   4.170  -1.209
  150   1HB   SER  16          2HB       SER  16  -8.066   3.606  -3.580
  151   2HB   SER  16          1HB       SER  16  -6.380   3.291  -3.181
  152    HG   SER  16           HG       SER  16  -8.293   1.266  -2.836
  153    H    ALA  17           H        ALA  17  -8.590   1.139  -0.211
  154    HA   ALA  17           HA       ALA  17 -11.385   1.341  -1.078
  155   1HB   ALA  17          1HB       ALA  17 -10.493  -0.432   1.150
  156   2HB   ALA  17          2HB       ALA  17  -9.746  -0.692  -0.426
  157   3HB   ALA  17          3HB       ALA  17 -11.497  -0.811  -0.250
  158    H    LYS  18           H        LYS  18  -9.684   1.536   2.084
  159    HA   LYS  18           HA       LYS  18 -12.108   2.609   3.365
  160   1HB   LYS  18          2HB       LYS  18  -9.977   1.053   4.145
  161   2HB   LYS  18          1HB       LYS  18  -9.552   2.625   4.824
  162   1HG   LYS  18          2HG       LYS  18 -12.360   1.636   5.162
  163   2HG   LYS  18          1HG       LYS  18 -11.094   0.943   6.178
  164   1HD   LYS  18          2HD       LYS  18 -10.609   3.709   6.207
  165   2HD   LYS  18          1HD       LYS  18 -12.360   3.550   6.360
  166   1HE   LYS  18          2HE       LYS  18 -12.155   2.146   8.302
  167   2HE   LYS  18          1HE       LYS  18 -10.409   1.958   8.056
  168   1HZ   LYS  18          1HZ       LYS  18 -10.023   3.899   9.044
  169   2HZ   LYS  18          2HZ       LYS  18 -11.657   3.944   9.505
  170   3HZ   LYS  18          3HZ       LYS  18 -11.156   4.704   8.071
  171    H    LYS  19           H        LYS  19  -9.149   3.777   2.009
  172    HA   LYS  19           HA       LYS  19  -9.220   6.389   3.338
  173   1HB   LYS  19          2HB       LYS  19  -7.332   4.853   2.116
  174   2HB   LYS  19          1HB       LYS  19  -7.716   5.979   0.813
  175   1HG   LYS  19          2HG       LYS  19  -7.547   7.689   2.930
  176   2HG   LYS  19          1HG       LYS  19  -6.360   6.469   3.395
  177   1HD   LYS  19          2HD       LYS  19  -5.567   6.709   0.893
  178   2HD   LYS  19          1HD       LYS  19  -6.376   8.273   0.995
  179   1HE   LYS  19          2HE       LYS  19  -4.962   8.283   3.341
  180   2HE   LYS  19          1HE       LYS  19  -3.864   7.376   2.281
  181   1HZ   LYS  19          1HZ       LYS  19  -3.663   9.105   0.837
  182   2HZ   LYS  19          2HZ       LYS  19  -3.935  10.001   2.254
  183   3HZ   LYS  19          3HZ       LYS  19  -5.208   9.723   1.164
  184    H    PHE  20           H        PHE  20 -10.237   5.024   0.228
  185    HA   PHE  20           HA       PHE  20 -11.423   7.683  -0.494
  186   1HB   PHE  20          2HB       PHE  20  -9.534   6.473  -1.846
  187   2HB   PHE  20          1HB       PHE  20 -10.837   5.421  -2.397
  188    HD1  PHE  20           HD1      PHE  20  -9.195   8.580  -2.843
  189    HD2  PHE  20           HD2      PHE  20 -12.934   6.542  -3.408
  190    HE1  PHE  20           HE1      PHE  20  -9.884  10.302  -4.489
  191    HE2  PHE  20           HE2      PHE  20 -13.622   8.265  -5.055
  192    HZ   PHE  20           HZ       PHE  20 -12.097  10.145  -5.594
  193   1HN   NH2  21          1HN       NH2  21 -13.477   7.182   0.648
  194   2HN   NH2  21          2HN       NH2  21 -14.548   6.011   0.043
  Start of MODEL    8
    1   1H    LYS   1          1H        LYS   1  16.402 -12.084 -12.572
    2   2H    LYS   1          2H        LYS   1  17.803 -12.680 -13.323
    3   3H    LYS   1          3H        LYS   1  17.928 -11.731 -11.921
    4    HA   LYS   1           HA       LYS   1  17.568 -14.551 -12.153
    5   1HB   LYS   1          2HB       LYS   1  18.321 -12.421 -10.183
    6   2HB   LYS   1          1HB       LYS   1  17.987 -14.042  -9.575
    7   1HG   LYS   1          2HG       LYS   1  19.775 -13.776 -11.957
    8   2HG   LYS   1          1HG       LYS   1  20.433 -13.355 -10.377
    9   1HD   LYS   1          2HD       LYS   1  20.541 -15.519  -9.737
   10   2HD   LYS   1          1HD       LYS   1  18.903 -15.842 -10.307
   11   1HE   LYS   1          2HE       LYS   1  19.891 -17.063 -11.956
   12   2HE   LYS   1          1HE       LYS   1  20.358 -15.504 -12.665
   13   1HZ   LYS   1          1HZ       LYS   1  22.266 -17.019 -12.180
   14   2HZ   LYS   1          2HZ       LYS   1  21.906 -16.863 -10.526
   15   3HZ   LYS   1          3HZ       LYS   1  22.372 -15.502 -11.430
   16    H    ALA   2           H        ALA   2  15.771 -15.739 -11.655
   17    HA   ALA   2           HA       ALA   2  13.190 -14.791 -11.312
   18   1HB   ALA   2          1HB       ALA   2  13.432 -17.082 -11.690
   19   2HB   ALA   2          2HB       ALA   2  12.981 -17.066  -9.985
   20   3HB   ALA   2          3HB       ALA   2  14.672 -17.256 -10.449
   21    H    LYS   3           H        LYS   3  12.950 -13.041  -9.867
   22    HA   LYS   3           HA       LYS   3  12.747 -13.737  -7.028
   23   1HB   LYS   3          2HB       LYS   3  15.216 -13.050  -7.839
   24   2HB   LYS   3          1HB       LYS   3  14.559 -11.433  -7.582
   25   1HG   LYS   3          2HG       LYS   3  15.385 -11.931  -5.460
   26   2HG   LYS   3          1HG       LYS   3  13.706 -12.454  -5.312
   27   1HD   LYS   3          2HD       LYS   3  15.180 -14.196  -4.435
   28   2HD   LYS   3          1HD       LYS   3  14.405 -14.768  -5.914
   29   1HE   LYS   3          2HE       LYS   3  16.955 -15.168  -5.703
   30   2HE   LYS   3          1HE       LYS   3  16.396 -14.408  -7.207
   31   1HZ   LYS   3          1HZ       LYS   3  16.955 -12.288  -6.428
   32   2HZ   LYS   3          2HZ       LYS   3  18.280 -13.252  -5.979
   33   3HZ   LYS   3          3HZ       LYS   3  17.117 -12.811  -4.822
   34    H    LEU   4           H        LEU   4  10.825 -12.760  -6.536
   35    HA   LEU   4           HA       LEU   4  10.378  -9.966  -7.520
   36   1HB   LEU   4          2HB       LEU   4   8.070 -10.631  -8.051
   37   2HB   LEU   4          1HB       LEU   4   9.207 -11.680  -8.900
   38    HG   LEU   4           HG       LEU   4   8.629 -12.729  -6.262
   39   1HD1  LEU   4          1HD1      LEU   4   6.202 -13.346  -7.458
   40   2HD1  LEU   4          2HD1      LEU   4   6.387 -11.623  -7.784
   41   3HD1  LEU   4          3HD1      LEU   4   6.430 -12.217  -6.123
   42   1HD2  LEU   4          1HD2      LEU   4   9.266 -14.460  -7.575
   43   2HD2  LEU   4          2HD2      LEU   4   8.880 -13.578  -9.053
   44   3HD2  LEU   4          3HD2      LEU   4   7.615 -14.455  -8.192
   45    H    PHE   5           H        PHE   5  10.689 -11.930  -4.862
   46    HA   PHE   5           HA       PHE   5   8.505 -11.100  -3.178
   47   1HB   PHE   5          2HB       PHE   5   9.899 -13.047  -2.715
   48   2HB   PHE   5          1HB       PHE   5  11.336 -12.031  -2.607
   49    HD1  PHE   5           HD1      PHE   5  12.033 -11.318  -0.501
   50    HD2  PHE   5           HD2      PHE   5   7.898 -12.300  -1.121
   51    HE1  PHE   5           HE1      PHE   5  11.579 -10.926   1.905
   52    HE2  PHE   5           HE2      PHE   5   7.444 -11.907   1.285
   53    HZ   PHE   5           HZ       PHE   5   9.284 -11.221   2.798
   54    H    LYS   6           H        LYS   6   8.560  -8.735  -3.853
   55    HA   LYS   6           HA       LYS   6  10.436  -7.216  -2.074
   56   1HB   LYS   6          2HB       LYS   6   9.868  -7.018  -5.010
   57   2HB   LYS   6          1HB       LYS   6  10.243  -5.539  -4.129
   58   1HG   LYS   6          2HG       LYS   6  12.065  -7.675  -3.392
   59   2HG   LYS   6          1HG       LYS   6  12.089  -7.395  -5.133
   60   1HD   LYS   6          2HD       LYS   6  12.006  -4.859  -3.788
   61   2HD   LYS   6          1HD       LYS   6  13.317  -5.824  -3.109
   62   1HE   LYS   6          2HE       LYS   6  14.177  -4.584  -5.033
   63   2HE   LYS   6          1HE       LYS   6  14.085  -6.301  -5.475
   64   1HZ   LYS   6          1HZ       LYS   6  11.662  -5.640  -6.127
   65   2HZ   LYS   6          2HZ       LYS   6  12.943  -5.354  -7.206
   66   3HZ   LYS   6          3HZ       LYS   6  12.323  -4.084  -6.263
   67    H    LYS   7           H        LYS   7   7.264  -7.932  -2.756
   68    HA   LYS   7           HA       LYS   7   6.234  -5.689  -1.214
   69   1HB   LYS   7          2HB       LYS   7   6.795  -5.183  -3.870
   70   2HB   LYS   7          1HB       LYS   7   5.081  -5.592  -3.916
   71   1HG   LYS   7          2HG       LYS   7   4.466  -3.749  -2.700
   72   2HG   LYS   7          1HG       LYS   7   5.942  -3.767  -1.734
   73   1HD   LYS   7          2HD       LYS   7   6.784  -2.143  -3.041
   74   2HD   LYS   7          1HD       LYS   7   6.732  -3.254  -4.408
   75   1HE   LYS   7          2HE       LYS   7   4.308  -2.606  -4.743
   76   2HE   LYS   7          1HE       LYS   7   4.549  -1.340  -3.524
   77   1HZ   LYS   7          1HZ       LYS   7   6.714  -0.996  -5.027
   78   2HZ   LYS   7          2HZ       LYS   7   5.259  -0.165  -5.301
   79   3HZ   LYS   7          3HZ       LYS   7   5.636  -1.546  -6.216
   80    H    ILE   8           H        ILE   8   3.638  -5.642  -2.151
   81    HA   ILE   8           HA       ILE   8   2.730  -8.494  -1.934
   82    HB   ILE   8           HB       ILE   8   1.358  -6.061  -0.767
   83   1HG1  ILE   8          2HG1      ILE   8   3.546  -7.801   0.386
   84   2HG1  ILE   8          1HG1      ILE   8   3.488  -6.042   0.301
   85   1HG2  ILE   8          1HG2      ILE   8   0.235  -7.710   0.627
   86   2HG2  ILE   8          2HG2      ILE   8   1.251  -9.000  -0.019
   87   3HG2  ILE   8          3HG2      ILE   8   0.076  -8.197  -1.060
   88   1HD1  ILE   8          1HD1      ILE   8   2.889  -6.377   2.521
   89   2HD1  ILE   8          2HD1      ILE   8   2.058  -7.894   2.175
   90   3HD1  ILE   8          3HD1      ILE   8   1.300  -6.358   1.755
   91    H    GLY   9           H        GLY   9   1.910  -5.194  -3.009
   92   1HA   GLY   9          2HA       GLY   9   0.920  -4.632  -5.101
   93   2HA   GLY   9          1HA       GLY   9   0.546  -6.330  -5.366
   94    H    ILE  10           H        ILE  10  -0.662  -6.622  -2.721
   95    HA   ILE  10           HA       ILE  10  -3.321  -5.514  -3.381
   96    HB   ILE  10           HB       ILE  10  -2.656  -7.307  -1.058
   97   1HG1  ILE  10          2HG1      ILE  10  -1.387  -8.306  -2.863
   98   2HG1  ILE  10          1HG1      ILE  10  -2.862  -9.241  -2.669
   99   1HG2  ILE  10          1HG2      ILE  10  -4.955  -6.774  -1.182
  100   2HG2  ILE  10          2HG2      ILE  10  -4.841  -8.356  -1.953
  101   3HG2  ILE  10          3HG2      ILE  10  -4.978  -6.901  -2.940
  102   1HD1  ILE  10          1HD1      ILE  10  -2.654  -8.891  -5.015
  103   2HD1  ILE  10          2HD1      ILE  10  -2.232  -7.192  -4.795
  104   3HD1  ILE  10          3HD1      ILE  10  -3.879  -7.740  -4.481
  105    H    GLY  11           H        GLY  11  -0.677  -4.823  -1.352
  106   1HA   GLY  11          2HA       GLY  11  -2.101  -3.704   0.896
  107   2HA   GLY  11          1HA       GLY  11  -0.414  -3.383   0.498
  108    H    LYS  12           H        LYS  12  -1.805  -2.685  -2.296
  109    HA   LYS  12           HA       LYS  12  -1.844   0.204  -1.770
  110   1HB   LYS  12          2HB       LYS  12  -0.992  -1.375  -3.794
  111   2HB   LYS  12          1HB       LYS  12  -2.598  -0.967  -4.397
  112   1HG   LYS  12          2HG       LYS  12  -1.580   0.908  -5.176
  113   2HG   LYS  12          1HG       LYS  12  -1.740   1.467  -3.511
  114   1HD   LYS  12          2HD       LYS  12   0.515   0.431  -3.036
  115   2HD   LYS  12          1HD       LYS  12   0.676   0.139  -4.769
  116   1HE   LYS  12          2HE       LYS  12   0.081   2.897  -3.658
  117   2HE   LYS  12          1HE       LYS  12   1.737   2.312  -3.924
  118   1HZ   LYS  12          1HZ       LYS  12   1.492   2.355  -6.144
  119   2HZ   LYS  12          2HZ       LYS  12   0.223   3.440  -5.834
  120   3HZ   LYS  12          3HZ       LYS  12  -0.108   1.793  -6.093
  121    H    PHE  13           H        PHE  13  -4.142  -2.200  -3.128
  122    HA   PHE  13           HA       PHE  13  -6.363  -0.461  -3.416
  123   1HB   PHE  13          2HB       PHE  13  -5.868  -2.908  -4.171
  124   2HB   PHE  13          1HB       PHE  13  -6.579  -3.346  -2.622
  125    HD1  PHE  13           HD1      PHE  13  -7.340  -0.796  -5.276
  126    HD2  PHE  13           HD2      PHE  13  -8.812  -3.976  -2.790
  127    HE1  PHE  13           HE1      PHE  13  -9.610  -0.487  -6.223
  128    HE2  PHE  13           HE2      PHE  13 -11.082  -3.668  -3.740
  129    HZ   PHE  13           HZ       PHE  13 -11.481  -1.922  -5.457
  130    H    LEU  14           H        LEU  14  -5.672  -2.729  -0.811
  131    HA   LEU  14           HA       LEU  14  -7.775  -2.207   0.934
  132   1HB   LEU  14          2HB       LEU  14  -5.071  -3.268   1.026
  133   2HB   LEU  14          1HB       LEU  14  -5.474  -2.446   2.535
  134    HG   LEU  14           HG       LEU  14  -6.980  -4.717   1.214
  135   1HD1  LEU  14          1HD1      LEU  14  -6.634  -5.552   3.685
  136   2HD1  LEU  14          2HD1      LEU  14  -5.348  -4.345   3.708
  137   3HD1  LEU  14          3HD1      LEU  14  -5.301  -5.660   2.534
  138   1HD2  LEU  14          1HD2      LEU  14  -7.944  -2.568   2.931
  139   2HD2  LEU  14          2HD2      LEU  14  -8.157  -4.146   3.690
  140   3HD2  LEU  14          3HD2      LEU  14  -8.859  -3.829   2.104
  141    H    HIS  15           H        HIS  15  -5.113  -0.174   0.106
  142    HA   HIS  15           HA       HIS  15  -5.422   1.663   2.367
  143   1HB   HIS  15          2HB       HIS  15  -3.435   0.971   0.648
  144   2HB   HIS  15          1HB       HIS  15  -4.028   2.428  -0.139
  145    HD1  HIS  15           HD1      HIS  15  -2.729   4.418   0.632
  146    HD2  HIS  15           HD2      HIS  15  -3.244   1.641   3.700
  147    HE1  HIS  15           HE1      HIS  15  -1.604   5.394   2.681
  148    H    SER  16           H        SER  16  -5.872   1.963  -1.182
  149    HA   SER  16           HA       SER  16  -7.373   4.423  -0.986
  150   1HB   SER  16          2HB       SER  16  -7.301   4.291  -3.294
  151   2HB   SER  16          1HB       SER  16  -6.040   3.117  -2.927
  152    HG   SER  16           HG       SER  16  -7.283   1.614  -3.693
  153    H    ALA  17           H        ALA  17  -8.144   1.135  -0.493
  154    HA   ALA  17           HA       ALA  17 -10.968   1.240  -1.206
  155   1HB   ALA  17          1HB       ALA  17 -10.984  -0.968  -0.220
  156   2HB   ALA  17          2HB       ALA  17  -9.518  -0.625   0.698
  157   3HB   ALA  17          3HB       ALA  17  -9.441  -0.793  -1.056
  158    H    LYS  18           H        LYS  18  -9.106   1.432   1.835
  159    HA   LYS  18           HA       LYS  18 -11.482   1.925   3.457
  160   1HB   LYS  18          2HB       LYS  18  -8.494   2.164   3.948
  161   2HB   LYS  18          1HB       LYS  18  -9.720   2.299   5.209
  162   1HG   LYS  18          2HG       LYS  18 -10.299   0.046   5.081
  163   2HG   LYS  18          1HG       LYS  18  -9.734  -0.109   3.417
  164   1HD   LYS  18          2HD       LYS  18  -7.769  -0.892   4.180
  165   2HD   LYS  18          1HD       LYS  18  -7.490   0.650   4.991
  166   1HE   LYS  18          2HE       LYS  18  -8.166  -0.159   7.043
  167   2HE   LYS  18          1HE       LYS  18  -9.352  -1.267   6.328
  168   1HZ   LYS  18          1HZ       LYS  18  -7.170  -2.282   5.292
  169   2HZ   LYS  18          2HZ       LYS  18  -7.719  -2.755   6.829
  170   3HZ   LYS  18          3HZ       LYS  18  -6.467  -1.616   6.685
  171    H    LYS  19           H        LYS  19  -9.621   3.808   1.359
  172    HA   LYS  19           HA       LYS  19  -9.759   6.339   2.821
  173   1HB   LYS  19          2HB       LYS  19  -8.619   5.218   0.397
  174   2HB   LYS  19          1HB       LYS  19  -9.360   6.786   0.072
  175   1HG   LYS  19          2HG       LYS  19  -7.433   6.276   2.355
  176   2HG   LYS  19          1HG       LYS  19  -6.948   6.927   0.789
  177   1HD   LYS  19          2HD       LYS  19  -7.626   8.990   1.383
  178   2HD   LYS  19          1HD       LYS  19  -9.233   8.383   1.785
  179   1HE   LYS  19          2HE       LYS  19  -8.455   7.727   4.025
  180   2HE   LYS  19          1HE       LYS  19  -6.815   8.275   3.628
  181   1HZ   LYS  19          1HZ       LYS  19  -8.275  10.389   2.885
  182   2HZ   LYS  19          2HZ       LYS  19  -7.556  10.236   4.417
  183   3HZ   LYS  19          3HZ       LYS  19  -9.194   9.837   4.199
  184    H    PHE  20           H        PHE  20 -11.228   5.352  -0.312
  185    HA   PHE  20           HA       PHE  20 -13.360   7.366   0.082
  186   1HB   PHE  20          2HB       PHE  20 -11.920   6.662  -2.049
  187   2HB   PHE  20          1HB       PHE  20 -13.209   5.473  -2.230
  188    HD1  PHE  20           HD1      PHE  20 -13.267   8.985  -0.935
  189    HD2  PHE  20           HD2      PHE  20 -14.624   6.242  -3.951
  190    HE1  PHE  20           HE1      PHE  20 -14.739  10.746  -1.871
  191    HE2  PHE  20           HE2      PHE  20 -16.097   8.006  -4.889
  192    HZ   PHE  20           HZ       PHE  20 -16.155  10.256  -3.848
  193   1HN   NH2  21          1HN       NH2  21 -13.292   3.843  -0.762
  194   2HN   NH2  21          2HN       NH2  21 -14.768   3.480  -0.008
  Start of MODEL    9
    1   1H    LYS   1          1H        LYS   1  16.914   3.293  -9.845
    2   2H    LYS   1          2H        LYS   1  15.893   4.338 -10.711
    3   3H    LYS   1          3H        LYS   1  16.187   2.767 -11.285
    4    HA   LYS   1           HA       LYS   1  14.109   3.598  -9.623
    5   1HB   LYS   1          2HB       LYS   1  14.599   1.729 -11.461
    6   2HB   LYS   1          1HB       LYS   1  14.904   0.738 -10.034
    7   1HG   LYS   1          2HG       LYS   1  12.702   0.558  -9.615
    8   2HG   LYS   1          1HG       LYS   1  12.502   2.309  -9.667
    9   1HD   LYS   1          2HD       LYS   1  11.631   2.236 -11.746
   10   2HD   LYS   1          1HD       LYS   1  12.933   1.196 -12.325
   11   1HE   LYS   1          2HE       LYS   1  11.160  -0.266 -10.536
   12   2HE   LYS   1          1HE       LYS   1  10.272   0.417 -11.914
   13   1HZ   LYS   1          1HZ       LYS   1  11.437  -1.797 -12.293
   14   2HZ   LYS   1          2HZ       LYS   1  12.892  -0.920 -12.250
   15   3HZ   LYS   1          3HZ       LYS   1  11.725  -0.577 -13.435
   16    H    ALA   2           H        ALA   2  15.248   4.359  -7.622
   17    HA   ALA   2           HA       ALA   2  16.040   2.066  -5.855
   18   1HB   ALA   2          1HB       ALA   2  17.274   4.109  -4.697
   19   2HB   ALA   2          2HB       ALA   2  17.091   4.842  -6.291
   20   3HB   ALA   2          3HB       ALA   2  17.981   3.330  -6.112
   21    H    LYS   3           H        LYS   3  13.369   2.544  -5.928
   22    HA   LYS   3           HA       LYS   3  12.869   4.015  -3.366
   23   1HB   LYS   3          2HB       LYS   3  11.325   4.108  -5.978
   24   2HB   LYS   3          1HB       LYS   3  10.754   4.822  -4.468
   25   1HG   LYS   3          2HG       LYS   3  13.515   5.548  -5.270
   26   2HG   LYS   3          1HG       LYS   3  12.227   6.190  -6.290
   27   1HD   LYS   3          2HD       LYS   3  11.969   6.386  -3.304
   28   2HD   LYS   3          1HD       LYS   3  12.998   7.535  -4.159
   29   1HE   LYS   3          2HE       LYS   3  10.856   7.710  -5.755
   30   2HE   LYS   3          1HE       LYS   3  10.028   7.220  -4.263
   31   1HZ   LYS   3          1HZ       LYS   3  12.009   9.427  -4.482
   32   2HZ   LYS   3          2HZ       LYS   3  11.193   8.956  -3.067
   33   3HZ   LYS   3          3HZ       LYS   3  10.330   9.634  -4.364
   34    H    LEU   4           H        LEU   4  11.030   3.173  -2.168
   35    HA   LEU   4           HA       LEU   4  10.057   0.492  -3.100
   36   1HB   LEU   4          2HB       LEU   4  10.791   1.270  -0.264
   37   2HB   LEU   4          1HB       LEU   4  10.460  -0.350  -0.876
   38    HG   LEU   4           HG       LEU   4  12.745   1.380  -1.856
   39   1HD1  LEU   4          1HD1      LEU   4  12.460  -0.174   0.575
   40   2HD1  LEU   4          2HD1      LEU   4  13.810   0.836   0.054
   41   3HD1  LEU   4          3HD1      LEU   4  13.726  -0.853  -0.450
   42   1HD2  LEU   4          1HD2      LEU   4  11.823  -0.424  -3.367
   43   2HD2  LEU   4          2HD2      LEU   4  12.253  -1.601  -2.126
   44   3HD2  LEU   4          3HD2      LEU   4  13.512  -0.654  -2.918
   45    H    PHE   5           H        PHE   5   9.085   3.527  -2.562
   46    HA   PHE   5           HA       PHE   5   6.778   3.020  -0.797
   47   1HB   PHE   5          2HB       PHE   5   8.258   5.260  -1.969
   48   2HB   PHE   5          1HB       PHE   5   6.513   5.513  -2.003
   49    HD1  PHE   5           HD1      PHE   5   5.191   5.463   0.098
   50    HD2  PHE   5           HD2      PHE   5   9.478   5.189   0.111
   51    HE1  PHE   5           HE1      PHE   5   5.217   5.994   2.521
   52    HE2  PHE   5           HE2      PHE   5   9.504   5.720   2.534
   53    HZ   PHE   5           HZ       PHE   5   7.374   6.122   3.738
   54    H    LYS   6           H        LYS   6   7.103   1.680  -3.551
   55    HA   LYS   6           HA       LYS   6   4.322   2.131  -4.424
   56   1HB   LYS   6          2HB       LYS   6   6.532   3.535  -5.550
   57   2HB   LYS   6          1HB       LYS   6   5.989   2.365  -6.752
   58   1HG   LYS   6          2HG       LYS   6   3.601   3.346  -5.826
   59   2HG   LYS   6          1HG       LYS   6   4.631   4.774  -5.729
   60   1HD   LYS   6          2HD       LYS   6   4.649   3.063  -8.204
   61   2HD   LYS   6          1HD       LYS   6   3.389   4.276  -7.972
   62   1HE   LYS   6          2HE       LYS   6   4.906   5.703  -8.924
   63   2HE   LYS   6          1HE       LYS   6   5.670   5.690  -7.323
   64   1HZ   LYS   6          1HZ       LYS   6   6.798   3.579  -8.085
   65   2HZ   LYS   6          2HZ       LYS   6   7.343   5.016  -8.810
   66   3HZ   LYS   6          3HZ       LYS   6   6.298   3.976  -9.656
   67    H    LYS   7           H        LYS   7   5.788  -0.173  -3.389
   68    HA   LYS   7           HA       LYS   7   5.286  -2.040  -5.638
   69   1HB   LYS   7          2HB       LYS   7   7.932  -1.518  -4.280
   70   2HB   LYS   7          1HB       LYS   7   7.602  -3.058  -5.073
   71   1HG   LYS   7          2HG       LYS   7   7.120  -1.890  -7.182
   72   2HG   LYS   7          1HG       LYS   7   7.404  -0.336  -6.397
   73   1HD   LYS   7          2HD       LYS   7   9.547  -2.417  -6.229
   74   2HD   LYS   7          1HD       LYS   7   9.342  -1.552  -7.752
   75   1HE   LYS   7          2HE       LYS   7   9.916   0.511  -6.816
   76   2HE   LYS   7          1HE       LYS   7   9.447   0.009  -5.179
   77   1HZ   LYS   7          1HZ       LYS   7  11.272  -1.568  -5.167
   78   2HZ   LYS   7          2HZ       LYS   7  11.864  -0.001  -5.453
   79   3HZ   LYS   7          3HZ       LYS   7  11.722  -1.106  -6.736
   80    H    ILE   8           H        ILE   8   3.514  -2.417  -3.917
   81    HA   ILE   8           HA       ILE   8   4.533  -4.329  -1.844
   82    HB   ILE   8           HB       ILE   8   2.080  -2.572  -1.616
   83   1HG1  ILE   8          2HG1      ILE   8   4.967  -1.958  -0.928
   84   2HG1  ILE   8          1HG1      ILE   8   3.879  -1.017  -1.944
   85   1HG2  ILE   8          1HG2      ILE   8   2.796  -2.917   0.878
   86   2HG2  ILE   8          2HG2      ILE   8   3.760  -4.247   0.239
   87   3HG2  ILE   8          3HG2      ILE   8   2.010  -4.245   0.028
   88   1HD1  ILE   8          1HD1      ILE   8   2.612  -1.320   0.586
   89   2HD1  ILE   8          2HD1      ILE   8   3.231   0.161  -0.145
   90   3HD1  ILE   8          3HD1      ILE   8   4.275  -0.817   0.888
   91    H    GLY   9           H        GLY   9   1.396  -3.361  -3.300
   92   1HA   GLY   9          2HA       GLY   9  -0.019  -4.744  -4.644
   93   2HA   GLY   9          1HA       GLY   9   1.006  -6.127  -4.273
   94    H    ILE  10           H        ILE  10   0.799  -5.092  -1.353
   95    HA   ILE  10           HA       ILE  10  -1.845  -6.383  -0.791
   96    HB   ILE  10           HB       ILE  10   0.626  -6.256   0.954
   97   1HG1  ILE  10          2HG1      ILE  10  -0.252  -8.266  -1.126
   98   2HG1  ILE  10          1HG1      ILE  10   1.306  -7.454  -0.992
   99   1HG2  ILE  10          1HG2      ILE  10  -1.649  -6.722   1.985
  100   2HG2  ILE  10          2HG2      ILE  10  -0.451  -7.994   2.222
  101   3HG2  ILE  10          3HG2      ILE  10  -1.711  -8.185   1.001
  102   1HD1  ILE  10          1HD1      ILE  10   2.002  -9.311   0.098
  103   2HD1  ILE  10          2HD1      ILE  10   0.352  -9.880   0.353
  104   3HD1  ILE  10          3HD1      ILE  10   1.062  -8.706   1.462
  105    H    GLY  11           H        GLY  11  -0.136  -3.490  -0.641
  106   1HA   GLY  11          2HA       GLY  11  -1.634  -2.518   1.736
  107   2HA   GLY  11          1HA       GLY  11  -0.251  -1.708   1.016
  108    H    LYS  12           H        LYS  12  -0.563  -0.684  -1.035
  109    HA   LYS  12           HA       LYS  12  -2.560   1.143  -1.336
  110   1HB   LYS  12          2HB       LYS  12  -0.508   0.062  -2.891
  111   2HB   LYS  12          1HB       LYS  12  -1.943  -0.091  -3.905
  112   1HG   LYS  12          2HG       LYS  12  -2.229   2.439  -2.826
  113   2HG   LYS  12          1HG       LYS  12  -0.489   2.322  -3.091
  114   1HD   LYS  12          2HD       LYS  12  -0.874   1.657  -5.427
  115   2HD   LYS  12          1HD       LYS  12  -2.617   1.736  -5.169
  116   1HE   LYS  12          2HE       LYS  12  -2.303   3.869  -6.015
  117   2HE   LYS  12          1HE       LYS  12  -1.935   4.216  -4.313
  118   1HZ   LYS  12          1HZ       LYS  12   0.237   3.088  -5.876
  119   2HZ   LYS  12          2HZ       LYS  12   0.266   4.321  -4.709
  120   3HZ   LYS  12          3HZ       LYS  12  -0.213   4.667  -6.302
  121    H    PHE  13           H        PHE  13  -2.856  -2.298  -2.148
  122    HA   PHE  13           HA       PHE  13  -5.135  -2.405  -3.721
  123   1HB   PHE  13          2HB       PHE  13  -3.892  -4.353  -2.929
  124   2HB   PHE  13          1HB       PHE  13  -4.431  -4.058  -1.280
  125    HD1  PHE  13           HD1      PHE  13  -5.503  -6.282  -1.131
  126    HD2  PHE  13           HD2      PHE  13  -6.670  -3.423  -4.116
  127    HE1  PHE  13           HE1      PHE  13  -7.561  -7.590  -1.579
  128    HE2  PHE  13           HE2      PHE  13  -8.729  -4.730  -4.564
  129    HZ   PHE  13           HZ       PHE  13  -9.174  -6.814  -3.295
  130    H    LEU  14           H        LEU  14  -5.740  -3.179  -0.381
  131    HA   LEU  14           HA       LEU  14  -8.352  -1.962  -0.417
  132   1HB   LEU  14          2HB       LEU  14  -8.522  -2.899   1.757
  133   2HB   LEU  14          1HB       LEU  14  -7.468  -3.992   0.874
  134    HG   LEU  14           HG       LEU  14  -6.423  -3.691   2.966
  135   1HD1  LEU  14          1HD1      LEU  14  -4.798  -3.504   1.201
  136   2HD1  LEU  14          2HD1      LEU  14  -4.368  -2.369   2.479
  137   3HD1  LEU  14          3HD1      LEU  14  -5.143  -1.790   1.010
  138   1HD2  LEU  14          1HD2      LEU  14  -7.844  -1.344   3.109
  139   2HD2  LEU  14          2HD2      LEU  14  -6.187  -0.761   2.951
  140   3HD2  LEU  14          3HD2      LEU  14  -6.617  -1.847   4.272
  141    H    HIS  15           H        HIS  15  -5.416  -0.448  -0.287
  142    HA   HIS  15           HA       HIS  15  -5.663   1.423   1.863
  143   1HB   HIS  15          2HB       HIS  15  -3.754   0.789   0.155
  144   2HB   HIS  15          1HB       HIS  15  -4.466   2.072  -0.818
  145    HD1  HIS  15           HD1      HIS  15  -5.283   3.908   1.638
  146    HD2  HIS  15           HD2      HIS  15  -1.503   2.268   1.005
  147    HE1  HIS  15           HE1      HIS  15  -3.647   5.367   2.908
  148    H    SER  16           H        SER  16  -6.449   1.773  -1.609
  149    HA   SER  16           HA       SER  16  -7.725   4.324  -1.391
  150   1HB   SER  16          2HB       SER  16  -8.291   3.926  -3.651
  151   2HB   SER  16          1HB       SER  16  -6.853   2.936  -3.418
  152    HG   SER  16           HG       SER  16  -8.492   1.255  -2.794
  153    H    ALA  17           H        ALA  17  -8.760   1.142  -0.608
  154    HA   ALA  17           HA       ALA  17 -11.634   1.617  -0.742
  155   1HB   ALA  17          1HB       ALA  17  -9.779  -0.517  -0.303
  156   2HB   ALA  17          2HB       ALA  17 -11.516  -0.637  -0.577
  157   3HB   ALA  17          3HB       ALA  17 -10.891  -0.484   1.064
  158    H    LYS  18           H        LYS  18  -9.202   1.469   1.868
  159    HA   LYS  18           HA       LYS  18 -11.080   2.213   3.953
  160   1HB   LYS  18          2HB       LYS  18  -9.060   0.883   4.358
  161   2HB   LYS  18          1HB       LYS  18  -8.052   2.205   3.764
  162   1HG   LYS  18          2HG       LYS  18  -9.591   3.442   5.696
  163   2HG   LYS  18          1HG       LYS  18  -9.302   1.848   6.393
  164   1HD   LYS  18          2HD       LYS  18  -6.829   2.504   5.353
  165   2HD   LYS  18          1HD       LYS  18  -7.420   4.055   5.951
  166   1HE   LYS  18          2HE       LYS  18  -7.151   1.473   7.528
  167   2HE   LYS  18          1HE       LYS  18  -6.289   3.001   7.805
  168   1HZ   LYS  18          1HZ       LYS  18  -8.059   3.163   9.265
  169   2HZ   LYS  18          2HZ       LYS  18  -9.144   2.383   8.216
  170   3HZ   LYS  18          3HZ       LYS  18  -8.658   3.981   7.905
  171    H    LYS  19           H        LYS  19  -9.352   3.907   1.547
  172    HA   LYS  19           HA       LYS  19  -9.100   6.465   2.935
  173   1HB   LYS  19          2HB       LYS  19  -7.847   5.412   0.861
  174   2HB   LYS  19          1HB       LYS  19  -9.187   6.109  -0.049
  175   1HG   LYS  19          2HG       LYS  19  -8.199   8.124   0.047
  176   2HG   LYS  19          1HG       LYS  19  -8.303   8.080   1.807
  177   1HD   LYS  19          2HD       LYS  19  -6.036   8.091   1.751
  178   2HD   LYS  19          1HD       LYS  19  -6.188   6.388   1.316
  179   1HE   LYS  19          2HE       LYS  19  -6.469   7.374  -1.138
  180   2HE   LYS  19          1HE       LYS  19  -5.574   8.740  -0.439
  181   1HZ   LYS  19          1HZ       LYS  19  -4.041   7.067  -1.264
  182   2HZ   LYS  19          2HZ       LYS  19  -4.778   5.879  -0.299
  183   3HZ   LYS  19          3HZ       LYS  19  -3.942   7.167   0.426
  184    H    PHE  20           H        PHE  20 -11.443   4.902   0.810
  185    HA   PHE  20           HA       PHE  20 -13.196   7.324   1.022
  186   1HB   PHE  20          2HB       PHE  20 -12.302   6.544  -1.225
  187   2HB   PHE  20          1HB       PHE  20 -13.259   5.078  -1.011
  188    HD1  PHE  20           HD1      PHE  20 -14.080   8.595  -0.057
  189    HD2  PHE  20           HD2      PHE  20 -14.983   5.252  -2.594
  190    HE1  PHE  20           HE1      PHE  20 -16.091   9.780  -0.902
  191    HE2  PHE  20           HE2      PHE  20 -16.994   6.434  -3.440
  192    HZ   PHE  20           HZ       PHE  20 -17.548   8.698  -2.593
  193   1HN   NH2  21          1HN       NH2  21 -13.065   5.195   3.103
  194   2HN   NH2  21          2HN       NH2  21 -14.583   4.439   3.119
  Start of MODEL   10
    1   1H    LYS   1          1H        LYS   1  -2.515  -5.113   7.980
    2   2H    LYS   1          2H        LYS   1  -2.461  -4.801   6.312
    3   3H    LYS   1          3H        LYS   1  -3.001  -3.600   7.386
    4    HA   LYS   1           HA       LYS   1  -0.928  -2.945   7.926
    5   1HB   LYS   1          2HB       LYS   1  -0.691  -5.072   9.166
    6   2HB   LYS   1          1HB       LYS   1  -0.210  -5.887   7.678
    7   1HG   LYS   1          2HG       LYS   1   1.910  -5.131   7.851
    8   2HG   LYS   1          1HG       LYS   1   1.359  -3.478   8.127
    9   1HD   LYS   1          2HD       LYS   1   1.961  -3.683  10.283
   10   2HD   LYS   1          1HD       LYS   1   0.723  -4.924  10.474
   11   1HE   LYS   1          2HE       LYS   1   3.570  -5.428   9.529
   12   2HE   LYS   1          1HE       LYS   1   2.934  -5.812  11.141
   13   1HZ   LYS   1          1HZ       LYS   1   2.578  -7.771   9.990
   14   2HZ   LYS   1          2HZ       LYS   1   2.198  -6.981   8.535
   15   3HZ   LYS   1          3HZ       LYS   1   1.083  -6.991   9.817
   16    H    ALA   2           H        ALA   2   0.644  -5.461   6.112
   17    HA   ALA   2           HA       ALA   2   0.354  -4.448   3.458
   18   1HB   ALA   2          1HB       ALA   2   2.974  -3.512   4.510
   19   2HB   ALA   2          2HB       ALA   2   1.557  -2.615   5.058
   20   3HB   ALA   2          3HB       ALA   2   1.900  -2.754   3.334
   21    H    LYS   3           H        LYS   3   0.730  -6.467   2.598
   22    HA   LYS   3           HA       LYS   3   3.405  -7.712   3.114
   23   1HB   LYS   3          2HB       LYS   3   0.621  -8.857   3.293
   24   2HB   LYS   3          1HB       LYS   3   2.001  -9.907   2.961
   25   1HG   LYS   3          2HG       LYS   3   3.118  -8.953   5.008
   26   2HG   LYS   3          1HG       LYS   3   1.610  -8.116   5.374
   27   1HD   LYS   3          2HD       LYS   3   1.681 -10.218   6.610
   28   2HD   LYS   3          1HD       LYS   3   0.433 -10.316   5.367
   29   1HE   LYS   3          2HE       LYS   3   1.465 -12.112   4.458
   30   2HE   LYS   3          1HE       LYS   3   2.949 -11.163   4.240
   31   1HZ   LYS   3          1HZ       LYS   3   3.497 -12.871   5.754
   32   2HZ   LYS   3          2HZ       LYS   3   2.075 -12.646   6.655
   33   3HZ   LYS   3          3HZ       LYS   3   3.305 -11.475   6.698
   34    H    LEU   4           H        LEU   4   3.686  -9.568   1.353
   35    HA   LEU   4           HA       LEU   4   2.433  -8.714  -1.227
   36   1HB   LEU   4          2HB       LEU   4   5.370  -9.359  -0.971
   37   2HB   LEU   4          1HB       LEU   4   4.550  -8.464  -2.250
   38    HG   LEU   4           HG       LEU   4   3.924  -6.877  -0.174
   39   1HD1  LEU   4          1HD1      LEU   4   6.264  -6.768   1.069
   40   2HD1  LEU   4          2HD1      LEU   4   6.329  -8.475   0.629
   41   3HD1  LEU   4          3HD1      LEU   4   5.006  -7.871   1.625
   42   1HD2  LEU   4          1HD2      LEU   4   5.895  -5.499  -0.823
   43   2HD2  LEU   4          2HD2      LEU   4   5.054  -6.155  -2.227
   44   3HD2  LEU   4          3HD2      LEU   4   6.560  -6.891  -1.679
   45    H    PHE   5           H        PHE   5   1.739 -11.062   0.284
   46    HA   PHE   5           HA       PHE   5   3.205 -13.381  -0.653
   47   1HB   PHE   5          2HB       PHE   5   1.356 -12.867   1.272
   48   2HB   PHE   5          1HB       PHE   5   0.316 -13.580   0.040
   49    HD1  PHE   5           HD1      PHE   5   1.000 -14.822   2.768
   50    HD2  PHE   5           HD2      PHE   5   2.760 -15.248  -1.128
   51    HE1  PHE   5           HE1      PHE   5   1.823 -17.079   3.384
   52    HE2  PHE   5           HE2      PHE   5   3.583 -17.505  -0.511
   53    HZ   PHE   5           HZ       PHE   5   3.114 -18.419   1.746
   54    H    LYS   6           H        LYS   6   0.092 -11.903  -1.625
   55    HA   LYS   6           HA       LYS   6   0.469 -13.125  -4.336
   56   1HB   LYS   6          2HB       LYS   6  -1.195 -14.314  -2.854
   57   2HB   LYS   6          1HB       LYS   6  -2.138 -12.823  -2.807
   58   1HG   LYS   6          2HG       LYS   6  -1.739 -13.098  -5.496
   59   2HG   LYS   6          1HG       LYS   6  -1.829 -14.787  -4.994
   60   1HD   LYS   6          2HD       LYS   6  -3.891 -13.598  -3.569
   61   2HD   LYS   6          1HD       LYS   6  -3.950 -12.775  -5.129
   62   1HE   LYS   6          2HE       LYS   6  -4.129 -14.881  -6.315
   63   2HE   LYS   6          1HE       LYS   6  -3.854 -15.795  -4.820
   64   1HZ   LYS   6          1HZ       LYS   6  -6.285 -15.125  -5.697
   65   2HZ   LYS   6          2HZ       LYS   6  -5.949 -13.787  -4.707
   66   3HZ   LYS   6          3HZ       LYS   6  -5.916 -15.356  -4.059
   67    H    LYS   7           H        LYS   7   0.833 -10.352  -2.993
   68    HA   LYS   7           HA       LYS   7  -0.717  -8.818  -5.049
   69   1HB   LYS   7          2HB       LYS   7  -0.959  -8.827  -2.182
   70   2HB   LYS   7          1HB       LYS   7  -0.358  -7.250  -2.695
   71   1HG   LYS   7          2HG       LYS   7  -2.758  -7.127  -2.749
   72   2HG   LYS   7          1HG       LYS   7  -2.217  -7.227  -4.425
   73   1HD   LYS   7          2HD       LYS   7  -3.074  -9.329  -4.721
   74   2HD   LYS   7          1HD       LYS   7  -2.731  -9.816  -3.060
   75   1HE   LYS   7          2HE       LYS   7  -4.714  -8.876  -2.238
   76   2HE   LYS   7          1HE       LYS   7  -4.859  -7.747  -3.600
   77   1HZ   LYS   7          1HZ       LYS   7  -5.408 -10.638  -3.525
   78   2HZ   LYS   7          2HZ       LYS   7  -4.927  -9.918  -4.986
   79   3HZ   LYS   7          3HZ       LYS   7  -6.339  -9.392  -4.200
   80    H    ILE   8           H        ILE   8   0.509  -7.171  -6.030
   81    HA   ILE   8           HA       ILE   8   3.274  -6.723  -4.953
   82    HB   ILE   8           HB       ILE   8   2.473  -6.814  -7.868
   83   1HG1  ILE   8          2HG1      ILE   8   3.281  -9.043  -5.991
   84   2HG1  ILE   8          1HG1      ILE   8   1.910  -8.992  -7.095
   85   1HG2  ILE   8          1HG2      ILE   8   4.709  -6.599  -8.293
   86   2HG2  ILE   8          2HG2      ILE   8   5.168  -7.590  -6.909
   87   3HG2  ILE   8          3HG2      ILE   8   4.744  -5.894  -6.677
   88   1HD1  ILE   8          1HD1      ILE   8   3.984  -8.635  -8.835
   89   2HD1  ILE   8          2HD1      ILE   8   3.265 -10.203  -8.468
   90   3HD1  ILE   8          3HD1      ILE   8   4.731  -9.687  -7.633
   91    H    GLY   9           H        GLY   9   1.067  -5.371  -7.457
   92   1HA   GLY   9          2HA       GLY   9   1.958  -2.658  -6.595
   93   2HA   GLY   9          1HA       GLY   9   1.304  -3.036  -8.187
   94    H    ILE  10           H        ILE  10  -0.666  -4.778  -6.427
   95    HA   ILE  10           HA       ILE  10  -2.711  -2.639  -6.277
   96    HB   ILE  10           HB       ILE  10  -2.844  -5.646  -5.910
   97   1HG1  ILE  10          2HG1      ILE  10  -3.221  -3.856  -8.326
   98   2HG1  ILE  10          1HG1      ILE  10  -2.043  -5.153  -8.131
   99   1HG2  ILE  10          1HG2      ILE  10  -5.256  -4.500  -6.905
  100   2HG2  ILE  10          2HG2      ILE  10  -4.764  -3.552  -5.503
  101   3HG2  ILE  10          3HG2      ILE  10  -4.997  -5.293  -5.353
  102   1HD1  ILE  10          1HD1      ILE  10  -3.882  -6.800  -7.994
  103   2HD1  ILE  10          2HD1      ILE  10  -3.939  -5.904  -9.511
  104   3HD1  ILE  10          3HD1      ILE  10  -5.057  -5.501  -8.207
  105    H    GLY  11           H        GLY  11  -0.473  -4.033  -4.210
  106   1HA   GLY  11          2HA       GLY  11  -1.788  -4.589  -1.822
  107   2HA   GLY  11          1HA       GLY  11  -0.204  -3.825  -1.877
  108    H    LYS  12           H        LYS  12  -1.482  -1.551  -3.423
  109    HA   LYS  12           HA       LYS  12  -2.100   0.127  -1.120
  110   1HB   LYS  12          2HB       LYS  12  -1.266   0.388  -3.813
  111   2HB   LYS  12          1HB       LYS  12  -2.797   1.257  -3.691
  112   1HG   LYS  12          2HG       LYS  12  -1.471   2.954  -2.927
  113   2HG   LYS  12          1HG       LYS  12  -1.587   2.080  -1.399
  114   1HD   LYS  12          2HD       LYS  12   0.625   1.673  -1.427
  115   2HD   LYS  12          1HD       LYS  12   0.487   0.895  -3.003
  116   1HE   LYS  12          2HE       LYS  12   2.004   2.748  -3.289
  117   2HE   LYS  12          1HE       LYS  12   0.464   3.261  -4.005
  118   1HZ   LYS  12          1HZ       LYS  12   0.055   3.910  -1.466
  119   2HZ   LYS  12          2HZ       LYS  12   0.726   4.990  -2.593
  120   3HZ   LYS  12          3HZ       LYS  12   1.737   4.127  -1.534
  121    H    PHE  13           H        PHE  13  -3.927  -2.054  -2.922
  122    HA   PHE  13           HA       PHE  13  -6.426  -0.849  -3.367
  123   1HB   PHE  13          2HB       PHE  13  -5.850  -3.110  -4.045
  124   2HB   PHE  13          1HB       PHE  13  -5.665  -3.601  -2.367
  125    HD1  PHE  13           HD1      PHE  13  -8.123  -2.459  -4.911
  126    HD2  PHE  13           HD2      PHE  13  -7.550  -4.169  -1.011
  127    HE1  PHE  13           HE1      PHE  13 -10.544  -2.984  -4.784
  128    HE2  PHE  13           HE2      PHE  13  -9.970  -4.693  -0.885
  129    HZ   PHE  13           HZ       PHE  13 -11.467  -4.101  -2.772
  130    H    LEU  14           H        LEU  14  -5.742  -2.898  -0.617
  131    HA   LEU  14           HA       LEU  14  -7.877  -2.279   1.042
  132   1HB   LEU  14          2HB       LEU  14  -5.082  -3.202   1.348
  133   2HB   LEU  14          1HB       LEU  14  -5.826  -2.581   2.822
  134    HG   LEU  14           HG       LEU  14  -7.545  -4.383   1.227
  135   1HD1  LEU  14          1HD1      LEU  14  -4.898  -5.241   2.372
  136   2HD1  LEU  14          2HD1      LEU  14  -5.665  -5.729   0.861
  137   3HD1  LEU  14          3HD1      LEU  14  -6.266  -6.354   2.396
  138   1HD2  LEU  14          1HD2      LEU  14  -8.321  -3.652   3.371
  139   2HD2  LEU  14          2HD2      LEU  14  -6.778  -4.033   4.136
  140   3HD2  LEU  14          3HD2      LEU  14  -7.834  -5.333   3.586
  141    H    HIS  15           H        HIS  15  -5.150  -0.308   0.252
  142    HA   HIS  15           HA       HIS  15  -5.521   1.602   2.444
  143   1HB   HIS  15          2HB       HIS  15  -3.477   0.836   0.842
  144   2HB   HIS  15          1HB       HIS  15  -4.022   2.263  -0.033
  145    HD1  HIS  15           HD1      HIS  15  -3.084   4.429   0.807
  146    HD2  HIS  15           HD2      HIS  15  -3.063   1.488   3.764
  147    HE1  HIS  15           HE1      HIS  15  -1.958   5.455   2.831
  148    H    SER  16           H        SER  16  -5.868   1.797  -1.133
  149    HA   SER  16           HA       SER  16  -7.266   4.318  -1.079
  150   1HB   SER  16          2HB       SER  16  -7.038   2.097  -3.128
  151   2HB   SER  16          1HB       SER  16  -7.726   3.680  -3.471
  152    HG   SER  16           HG       SER  16  -5.162   3.382  -2.320
  153    H    ALA  17           H        ALA  17  -8.220   1.052  -0.613
  154    HA   ALA  17           HA       ALA  17 -11.018   1.277  -1.315
  155   1HB   ALA  17          1HB       ALA  17  -9.545  -0.801  -1.030
  156   2HB   ALA  17          2HB       ALA  17 -11.142  -0.894  -0.287
  157   3HB   ALA  17          3HB       ALA  17  -9.723  -0.570   0.709
  158    H    LYS  18           H        LYS  18  -9.346   1.211   1.854
  159    HA   LYS  18           HA       LYS  18 -11.709   2.060   3.320
  160   1HB   LYS  18          2HB       LYS  18  -8.752   1.798   3.923
  161   2HB   LYS  18          1HB       LYS  18  -9.929   2.279   5.144
  162   1HG   LYS  18          2HG       LYS  18 -10.226  -0.244   3.503
  163   2HG   LYS  18          1HG       LYS  18  -9.383  -0.213   5.052
  164   1HD   LYS  18          2HD       LYS  18 -11.378   0.568   6.189
  165   2HD   LYS  18          1HD       LYS  18 -12.231   0.744   4.655
  166   1HE   LYS  18          2HE       LYS  18 -11.223  -1.868   5.844
  167   2HE   LYS  18          1HE       LYS  18 -12.918  -1.363   5.699
  168   1HZ   LYS  18          1HZ       LYS  18 -11.995  -0.947   3.211
  169   2HZ   LYS  18          2HZ       LYS  18 -12.802  -2.358   3.703
  170   3HZ   LYS  18          3HZ       LYS  18 -11.104  -2.319   3.656
  171    H    LYS  19           H        LYS  19  -9.604   3.698   1.290
  172    HA   LYS  19           HA       LYS  19  -9.304   6.195   2.755
  173   1HB   LYS  19          2HB       LYS  19  -8.006   5.077   0.735
  174   2HB   LYS  19          1HB       LYS  19  -9.200   5.942  -0.233
  175   1HG   LYS  19          2HG       LYS  19  -8.448   8.035   0.458
  176   2HG   LYS  19          1HG       LYS  19  -7.743   7.404   1.946
  177   1HD   LYS  19          2HD       LYS  19  -6.155   6.087   0.346
  178   2HD   LYS  19          1HD       LYS  19  -6.656   7.277  -0.856
  179   1HE   LYS  19          2HE       LYS  19  -5.423   7.913   1.851
  180   2HE   LYS  19          1HE       LYS  19  -4.619   8.066   0.275
  181   1HZ   LYS  19          1HZ       LYS  19  -5.590  10.178   0.932
  182   2HZ   LYS  19          2HZ       LYS  19  -7.118   9.453   1.099
  183   3HZ   LYS  19          3HZ       LYS  19  -6.389   9.565  -0.433
  184    H    PHE  20           H        PHE  20 -11.180   5.409  -0.208
  185    HA   PHE  20           HA       PHE  20 -12.843   7.804   0.131
  186   1HB   PHE  20          2HB       PHE  20 -11.921   6.511  -1.992
  187   2HB   PHE  20          1HB       PHE  20 -13.396   5.566  -1.787
  188    HD1  PHE  20           HD1      PHE  20 -12.273   9.153  -1.790
  189    HD2  PHE  20           HD2      PHE  20 -15.337   6.325  -2.826
  190    HE1  PHE  20           HE1      PHE  20 -13.584  10.966  -2.859
  191    HE2  PHE  20           HE2      PHE  20 -16.648   8.138  -3.895
  192    HZ   PHE  20           HZ       PHE  20 -15.772  10.458  -3.912
  193   1HN   NH2  21          1HN       NH2  21 -13.043   4.439   1.076
  194   2HN   NH2  21          2HN       NH2  21 -14.663   4.459   1.581
  Start of MODEL   11
    1   1H    LYS   1          1H        LYS   1   0.595 -24.891  -0.390
    2   2H    LYS   1          2H        LYS   1   1.042 -23.293  -0.759
    3   3H    LYS   1          3H        LYS   1   0.335 -23.656   0.743
    4    HA   LYS   1           HA       LYS   1   2.389 -25.247   0.979
    5   1HB   LYS   1          2HB       LYS   1   2.774 -24.332  -1.520
    6   2HB   LYS   1          1HB       LYS   1   3.655 -23.083  -0.639
    7   1HG   LYS   1          2HG       LYS   1   5.395 -24.495  -0.453
    8   2HG   LYS   1          1HG       LYS   1   4.387 -25.557   0.531
    9   1HD   LYS   1          2HD       LYS   1   4.211 -25.608  -2.479
   10   2HD   LYS   1          1HD       LYS   1   5.437 -26.547  -1.624
   11   1HE   LYS   1          2HE       LYS   1   3.476 -27.455  -0.193
   12   2HE   LYS   1          1HE       LYS   1   2.430 -26.821  -1.480
   13   1HZ   LYS   1          1HZ       LYS   1   3.015 -29.016  -2.111
   14   2HZ   LYS   1          2HZ       LYS   1   4.656 -28.765  -1.749
   15   3HZ   LYS   1          3HZ       LYS   1   3.948 -27.980  -3.078
   16    H    ALA   2           H        ALA   2   1.438 -24.102   2.970
   17    HA   ALA   2           HA       ALA   2   1.691 -22.573   4.760
   18   1HB   ALA   2          1HB       ALA   2   4.009 -23.648   4.278
   19   2HB   ALA   2          2HB       ALA   2   3.974 -22.188   5.267
   20   3HB   ALA   2          3HB       ALA   2   4.421 -22.089   3.564
   21    H    LYS   3           H        LYS   3   2.851 -20.157   5.061
   22    HA   LYS   3           HA       LYS   3   2.663 -18.414   2.749
   23   1HB   LYS   3          2HB       LYS   3   0.548 -17.287   3.546
   24   2HB   LYS   3          1HB       LYS   3   0.302 -18.941   2.982
   25   1HG   LYS   3          2HG       LYS   3   0.387 -19.752   5.309
   26   2HG   LYS   3          1HG       LYS   3   0.636 -18.101   5.878
   27   1HD   LYS   3          2HD       LYS   3  -1.767 -18.965   4.249
   28   2HD   LYS   3          1HD       LYS   3  -1.759 -18.892   6.010
   29   1HE   LYS   3          2HE       LYS   3  -0.761 -16.443   4.668
   30   2HE   LYS   3          1HE       LYS   3  -2.485 -16.785   4.430
   31   1HZ   LYS   3          1HZ       LYS   3  -2.072 -17.410   7.042
   32   2HZ   LYS   3          2HZ       LYS   3  -2.747 -15.958   6.478
   33   3HZ   LYS   3          3HZ       LYS   3  -1.089 -16.044   6.835
   34    H    LEU   4           H        LEU   4   3.920 -16.664   3.260
   35    HA   LEU   4           HA       LEU   4   3.810 -15.434   5.927
   36   1HB   LEU   4          2HB       LEU   4   6.144 -15.948   6.462
   37   2HB   LEU   4          1HB       LEU   4   5.273 -17.452   6.165
   38    HG   LEU   4           HG       LEU   4   6.211 -16.612   3.645
   39   1HD1  LEU   4          1HD1      LEU   4   8.059 -15.935   5.879
   40   2HD1  LEU   4          2HD1      LEU   4   7.933 -15.226   4.269
   41   3HD1  LEU   4          3HD1      LEU   4   8.768 -16.763   4.491
   42   1HD2  LEU   4          1HD2      LEU   4   6.165 -18.906   3.994
   43   2HD2  LEU   4          2HD2      LEU   4   6.821 -18.775   5.627
   44   3HD2  LEU   4          3HD2      LEU   4   7.885 -18.600   4.232
   45    H    PHE   5           H        PHE   5   3.235 -14.331   3.396
   46    HA   PHE   5           HA       PHE   5   5.541 -12.958   2.278
   47   1HB   PHE   5          2HB       PHE   5   2.537 -12.878   2.009
   48   2HB   PHE   5          1HB       PHE   5   3.556 -11.738   1.143
   49    HD1  PHE   5           HD1      PHE   5   5.745 -12.971   0.049
   50    HD2  PHE   5           HD2      PHE   5   1.924 -14.775   0.821
   51    HE1  PHE   5           HE1      PHE   5   6.214 -14.699  -1.665
   52    HE2  PHE   5           HE2      PHE   5   2.393 -16.504  -0.894
   53    HZ   PHE   5           HZ       PHE   5   4.538 -16.465  -2.138
   54    H    LYS   6           H        LYS   6   6.034 -10.714   2.542
   55    HA   LYS   6           HA       LYS   6   4.465  -9.162   4.535
   56   1HB   LYS   6          2HB       LYS   6   7.149 -10.378   4.867
   57   2HB   LYS   6          1HB       LYS   6   7.014  -8.701   5.396
   58   1HG   LYS   6          2HG       LYS   6   5.710  -9.245   7.169
   59   2HG   LYS   6          1HG       LYS   6   4.748 -10.381   6.225
   60   1HD   LYS   6          2HD       LYS   6   6.356 -12.124   6.499
   61   2HD   LYS   6          1HD       LYS   6   7.570 -11.003   7.116
   62   1HE   LYS   6          2HE       LYS   6   5.464 -10.606   8.866
   63   2HE   LYS   6          1HE       LYS   6   5.391 -12.353   8.554
   64   1HZ   LYS   6          1HZ       LYS   6   7.504 -12.681   9.316
   65   2HZ   LYS   6          2HZ       LYS   6   7.060 -11.376  10.310
   66   3HZ   LYS   6          3HZ       LYS   6   8.019 -11.111   8.934
   67    H    LYS   7           H        LYS   7   4.125  -8.153   2.252
   68    HA   LYS   7           HA       LYS   7   6.265  -6.099   1.795
   69   1HB   LYS   7          2HB       LYS   7   5.932  -6.399  -0.596
   70   2HB   LYS   7          1HB       LYS   7   6.258  -7.975   0.125
   71   1HG   LYS   7          2HG       LYS   7   3.439  -7.494   0.261
   72   2HG   LYS   7          1HG       LYS   7   3.978  -7.177  -1.389
   73   1HD   LYS   7          2HD       LYS   7   4.674  -9.355  -1.731
   74   2HD   LYS   7          1HD       LYS   7   5.026  -9.619  -0.023
   75   1HE   LYS   7          2HE       LYS   7   2.774 -10.041   0.511
   76   2HE   LYS   7          1HE       LYS   7   2.181  -9.204  -0.940
   77   1HZ   LYS   7          1HZ       LYS   7   3.989 -11.502  -1.241
   78   2HZ   LYS   7          2HZ       LYS   7   2.801 -10.920  -2.308
   79   3HZ   LYS   7          3HZ       LYS   7   2.349 -11.792  -0.922
   80    H    ILE   8           H        ILE   8   4.918  -4.688  -0.188
   81    HA   ILE   8           HA       ILE   8   2.410  -3.790   1.199
   82    HB   ILE   8           HB       ILE   8   4.387  -2.039  -0.270
   83   1HG1  ILE   8          2HG1      ILE   8   4.380  -2.939   2.623
   84   2HG1  ILE   8          1HG1      ILE   8   5.690  -3.084   1.459
   85   1HG2  ILE   8          1HG2      ILE   8   2.080  -1.195   0.212
   86   2HG2  ILE   8          2HG2      ILE   8   3.334  -0.270   1.036
   87   3HG2  ILE   8          3HG2      ILE   8   2.381  -1.454   1.931
   88   1HD1  ILE   8          1HD1      ILE   8   5.459  -1.051   3.292
   89   2HD1  ILE   8          2HD1      ILE   8   4.754  -0.317   1.854
   90   3HD1  ILE   8          3HD1      ILE   8   6.395  -0.954   1.802
   91    H    GLY   9           H        GLY   9   3.712  -5.028  -1.633
   92   1HA   GLY   9          2HA       GLY   9   2.696  -3.697  -3.802
   93   2HA   GLY   9          1HA       GLY   9   2.628  -5.447  -3.694
   94    H    ILE  10           H        ILE  10   0.756  -6.301  -2.447
   95    HA   ILE  10           HA       ILE  10  -1.722  -5.242  -3.483
   96    HB   ILE  10           HB       ILE  10  -1.417  -7.200  -1.206
   97   1HG1  ILE  10          2HG1      ILE  10  -1.395  -8.601  -3.667
   98   2HG1  ILE  10          1HG1      ILE  10  -0.164  -7.352  -3.806
   99   1HG2  ILE  10          1HG2      ILE  10  -3.369  -6.693  -3.436
  100   2HG2  ILE  10          2HG2      ILE  10  -3.684  -6.922  -1.716
  101   3HG2  ILE  10          3HG2      ILE  10  -3.249  -8.302  -2.725
  102   1HD1  ILE  10          1HD1      ILE  10   0.869  -8.091  -1.717
  103   2HD1  ILE  10          2HD1      ILE  10   0.734  -9.458  -2.823
  104   3HD1  ILE  10          3HD1      ILE  10  -0.403  -9.290  -1.486
  105    H    GLY  11           H        GLY  11   0.157  -4.275  -0.878
  106   1HA   GLY  11          2HA       GLY  11  -1.923  -3.685   1.046
  107   2HA   GLY  11          1HA       GLY  11  -0.286  -3.032   1.075
  108    H    LYS  12           H        LYS  12  -1.201  -2.337  -1.936
  109    HA   LYS  12           HA       LYS  12  -1.883   0.447  -1.252
  110   1HB   LYS  12          2HB       LYS  12  -0.618  -1.010  -3.355
  111   2HB   LYS  12          1HB       LYS  12  -1.983  -0.145  -4.059
  112   1HG   LYS  12          2HG       LYS  12   0.120   1.121  -2.279
  113   2HG   LYS  12          1HG       LYS  12   0.102   1.225  -4.040
  114   1HD   LYS  12          2HD       LYS  12  -2.440   2.004  -3.487
  115   2HD   LYS  12          1HD       LYS  12  -1.610   2.598  -2.049
  116   1HE   LYS  12          2HE       LYS  12   0.127   3.595  -3.704
  117   2HE   LYS  12          1HE       LYS  12  -1.125   3.345  -4.936
  118   1HZ   LYS  12          1HZ       LYS  12  -1.008   5.336  -2.929
  119   2HZ   LYS  12          2HZ       LYS  12  -2.395   4.384  -2.692
  120   3HZ   LYS  12          3HZ       LYS  12  -2.138   5.159  -4.180
  121    H    PHE  13           H        PHE  13  -3.405  -2.286  -2.977
  122    HA   PHE  13           HA       PHE  13  -5.762  -1.089  -3.885
  123   1HB   PHE  13          2HB       PHE  13  -4.786  -3.477  -4.084
  124   2HB   PHE  13          1HB       PHE  13  -5.659  -3.799  -2.589
  125    HD1  PHE  13           HD1      PHE  13  -7.807  -4.670  -2.800
  126    HD2  PHE  13           HD2      PHE  13  -6.278  -2.112  -5.895
  127    HE1  PHE  13           HE1      PHE  13  -9.900  -4.981  -4.092
  128    HE2  PHE  13           HE2      PHE  13  -8.374  -2.424  -7.185
  129    HZ   PHE  13           HZ       PHE  13 -10.184  -3.859  -6.284
  130    H    LEU  14           H        LEU  14  -5.537  -2.933  -0.883
  131    HA   LEU  14           HA       LEU  14  -8.006  -2.140   0.236
  132   1HB   LEU  14          2HB       LEU  14  -5.398  -2.799   1.639
  133   2HB   LEU  14          1HB       LEU  14  -7.011  -2.947   2.335
  134    HG   LEU  14           HG       LEU  14  -5.853  -4.525   0.026
  135   1HD1  LEU  14          1HD1      LEU  14  -7.225  -5.746   2.371
  136   2HD1  LEU  14          2HD1      LEU  14  -5.638  -5.033   2.659
  137   3HD1  LEU  14          3HD1      LEU  14  -5.825  -6.317   1.464
  138   1HD2  LEU  14          1HD2      LEU  14  -7.971  -4.515  -0.795
  139   2HD2  LEU  14          2HD2      LEU  14  -8.634  -3.836   0.692
  140   3HD2  LEU  14          3HD2      LEU  14  -8.353  -5.571   0.565
  141    H    HIS  15           H        HIS  15  -5.114  -0.352  -0.166
  142    HA   HIS  15           HA       HIS  15  -5.287   1.518   1.993
  143   1HB   HIS  15          2HB       HIS  15  -3.504   0.947   0.116
  144   2HB   HIS  15          1HB       HIS  15  -4.326   2.236  -0.756
  145    HD1  HIS  15           HD1      HIS  15  -3.713   4.596  -0.128
  146    HD2  HIS  15           HD2      HIS  15  -2.484   1.842   2.752
  147    HE1  HIS  15           HE1      HIS  15  -2.340   5.889   1.562
  148    H    SER  16           H        SER  16  -6.267   1.946  -1.438
  149    HA   SER  16           HA       SER  16  -7.761   4.361  -0.916
  150   1HB   SER  16          2HB       SER  16  -7.624   4.379  -3.174
  151   2HB   SER  16          1HB       SER  16  -6.865   2.792  -3.102
  152    HG   SER  16           HG       SER  16  -8.623   2.092  -3.999
  153    H    ALA  17           H        ALA  17  -8.408   1.118  -0.246
  154    HA   ALA  17           HA       ALA  17 -11.245   0.979  -0.726
  155   1HB   ALA  17          1HB       ALA  17 -10.953  -1.111   0.179
  156   2HB   ALA  17          2HB       ALA  17 -10.049  -0.491   1.560
  157   3HB   ALA  17          3HB       ALA  17  -9.242  -0.722   0.009
  158    H    LYS  18           H        LYS  18  -9.411   1.520   2.325
  159    HA   LYS  18           HA       LYS  18 -11.831   2.431   3.708
  160   1HB   LYS  18          2HB       LYS  18  -9.618   1.202   4.531
  161   2HB   LYS  18          1HB       LYS  18  -9.049   2.860   4.732
  162   1HG   LYS  18          2HG       LYS  18 -11.604   2.943   5.804
  163   2HG   LYS  18          1HG       LYS  18 -11.008   1.365   6.315
  164   1HD   LYS  18          2HD       LYS  18 -10.325   2.893   8.016
  165   2HD   LYS  18          1HD       LYS  18  -8.879   2.565   7.063
  166   1HE   LYS  18          2HE       LYS  18  -8.690   4.821   6.840
  167   2HE   LYS  18          1HE       LYS  18 -10.087   4.725   5.749
  168   1HZ   LYS  18          1HZ       LYS  18 -11.548   5.253   7.408
  169   2HZ   LYS  18          2HZ       LYS  18 -10.204   6.153   7.925
  170   3HZ   LYS  18          3HZ       LYS  18 -10.554   4.654   8.643
  171    H    LYS  19           H        LYS  19  -9.493   3.842   1.690
  172    HA   LYS  19           HA       LYS  19  -9.610   6.541   2.847
  173   1HB   LYS  19          2HB       LYS  19  -7.842   5.138   1.313
  174   2HB   LYS  19          1HB       LYS  19  -8.667   6.085   0.075
  175   1HG   LYS  19          2HG       LYS  19  -7.466   7.890   0.662
  176   2HG   LYS  19          1HG       LYS  19  -8.161   7.816   2.283
  177   1HD   LYS  19          2HD       LYS  19  -6.198   7.118   3.128
  178   2HD   LYS  19          1HD       LYS  19  -6.170   5.756   2.007
  179   1HE   LYS  19          2HE       LYS  19  -4.397   6.775   1.013
  180   2HE   LYS  19          1HE       LYS  19  -5.547   7.992   0.421
  181   1HZ   LYS  19          1HZ       LYS  19  -4.644   8.164   3.203
  182   2HZ   LYS  19          2HZ       LYS  19  -5.093   9.405   2.133
  183   3HZ   LYS  19          3HZ       LYS  19  -3.570   8.667   1.991
  184    H    PHE  20           H        PHE  20 -10.568   5.152  -0.322
  185    HA   PHE  20           HA       PHE  20 -12.326   7.432  -0.878
  186   1HB   PHE  20          2HB       PHE  20 -10.902   6.074  -2.513
  187   2HB   PHE  20          1HB       PHE  20 -12.099   4.787  -2.335
  188    HD1  PHE  20           HD1      PHE  20 -13.681   4.720  -4.041
  189    HD2  PHE  20           HD2      PHE  20 -12.175   8.524  -2.735
  190    HE1  PHE  20           HE1      PHE  20 -15.155   5.864  -5.674
  191    HE2  PHE  20           HE2      PHE  20 -13.649   9.668  -4.367
  192    HZ   PHE  20           HZ       PHE  20 -15.139   8.340  -5.836
  193   1HN   NH2  21          1HN       NH2  21 -14.676   6.623  -1.793
  194   2HN   NH2  21          2HN       NH2  21 -15.539   5.646  -0.704
  Start of MODEL   12
    1   1H    LYS   1          1H        LYS   1  22.814  -1.479  -1.137
    2   2H    LYS   1          2H        LYS   1  22.045  -1.935   0.307
    3   3H    LYS   1          3H        LYS   1  21.133  -1.322  -0.989
    4    HA   LYS   1           HA       LYS   1  21.541  -3.259  -2.310
    5   1HB   LYS   1          2HB       LYS   1  23.925  -3.235  -1.166
    6   2HB   LYS   1          1HB       LYS   1  23.177  -4.381  -0.052
    7   1HG   LYS   1          2HG       LYS   1  23.093  -6.033  -1.611
    8   2HG   LYS   1          1HG       LYS   1  22.636  -4.921  -2.902
    9   1HD   LYS   1          2HD       LYS   1  25.054  -4.068  -2.813
   10   2HD   LYS   1          1HD       LYS   1  25.404  -5.495  -1.836
   11   1HE   LYS   1          2HE       LYS   1  25.658  -6.634  -3.783
   12   2HE   LYS   1          1HE       LYS   1  23.909  -6.453  -4.027
   13   1HZ   LYS   1          1HZ       LYS   1  24.204  -4.448  -5.171
   14   2HZ   LYS   1          2HZ       LYS   1  25.408  -5.466  -5.804
   15   3HZ   LYS   1          3HZ       LYS   1  25.812  -4.278  -4.660
   16    H    ALA   2           H        ALA   2  20.106  -5.027  -2.086
   17    HA   ALA   2           HA       ALA   2  18.408  -6.335  -1.086
   18   1HB   ALA   2          1HB       ALA   2  19.166  -7.346   0.824
   19   2HB   ALA   2          2HB       ALA   2  19.458  -5.805   1.632
   20   3HB   ALA   2          3HB       ALA   2  20.638  -6.436   0.483
   21    H    LYS   3           H        LYS   3  16.371  -5.483  -0.921
   22    HA   LYS   3           HA       LYS   3  15.905  -3.308   1.088
   23   1HB   LYS   3          2HB       LYS   3  15.275  -3.477  -1.845
   24   2HB   LYS   3          1HB       LYS   3  14.216  -2.540  -0.790
   25   1HG   LYS   3          2HG       LYS   3  15.859  -0.984  -0.286
   26   2HG   LYS   3          1HG       LYS   3  17.173  -2.129  -0.570
   27   1HD   LYS   3          2HD       LYS   3  15.390  -1.083  -2.782
   28   2HD   LYS   3          1HD       LYS   3  16.921  -0.324  -2.341
   29   1HE   LYS   3          2HE       LYS   3  16.955  -3.276  -2.818
   30   2HE   LYS   3          1HE       LYS   3  16.822  -2.214  -4.234
   31   1HZ   LYS   3          1HZ       LYS   3  18.682  -0.897  -3.278
   32   2HZ   LYS   3          2HZ       LYS   3  19.130  -2.471  -3.734
   33   3HZ   LYS   3          3HZ       LYS   3  18.882  -2.097  -2.096
   34    H    LEU   4           H        LEU   4  13.472  -3.112   1.542
   35    HA   LEU   4           HA       LEU   4  12.106  -5.767   1.274
   36   1HB   LEU   4          2HB       LEU   4  12.303  -3.969   3.714
   37   2HB   LEU   4          1HB       LEU   4  11.433  -5.503   3.639
   38    HG   LEU   4           HG       LEU   4  13.942  -6.171   2.676
   39   1HD1  LEU   4          1HD1      LEU   4  15.229  -5.213   4.844
   40   2HD1  LEU   4          2HD1      LEU   4  14.114  -3.875   4.563
   41   3HD1  LEU   4          3HD1      LEU   4  15.232  -4.372   3.292
   42   1HD2  LEU   4          1HD2      LEU   4  12.993  -7.687   4.150
   43   2HD2  LEU   4          2HD2      LEU   4  12.494  -6.433   5.284
   44   3HD2  LEU   4          3HD2      LEU   4  14.182  -6.939   5.217
   45    H    PHE   5           H        PHE   5  11.889  -2.825   0.126
   46    HA   PHE   5           HA       PHE   5   9.081  -2.222   0.908
   47   1HB   PHE   5          2HB       PHE   5  11.434  -0.784   0.047
   48   2HB   PHE   5          1HB       PHE   5  10.092  -0.421  -1.040
   49    HD1  PHE   5           HD1      PHE   5   7.742  -0.574   0.654
   50    HD2  PHE   5           HD2      PHE   5  11.635   1.006   1.549
   51    HE1  PHE   5           HE1      PHE   5   6.744   0.906   2.378
   52    HE2  PHE   5           HE2      PHE   5  10.637   2.486   3.273
   53    HZ   PHE   5           HZ       PHE   5   8.193   2.435   3.687
   54    H    LYS   6           H        LYS   6   8.360  -4.264  -0.271
   55    HA   LYS   6           HA       LYS   6   7.748  -3.593  -3.098
   56   1HB   LYS   6          2HB       LYS   6   9.887  -5.225  -2.356
   57   2HB   LYS   6          1HB       LYS   6   8.614  -6.363  -2.799
   58   1HG   LYS   6          2HG       LYS   6   9.259  -3.994  -4.549
   59   2HG   LYS   6          1HG       LYS   6  10.168  -5.500  -4.687
   60   1HD   LYS   6          2HD       LYS   6   8.516  -6.385  -5.927
   61   2HD   LYS   6          1HD       LYS   6   7.395  -6.168  -4.583
   62   1HE   LYS   6          2HE       LYS   6   6.369  -4.858  -6.230
   63   2HE   LYS   6          1HE       LYS   6   7.392  -3.642  -5.438
   64   1HZ   LYS   6          1HZ       LYS   6   7.636  -3.812  -7.929
   65   2HZ   LYS   6          2HZ       LYS   6   8.354  -5.331  -7.676
   66   3HZ   LYS   6          3HZ       LYS   6   9.074  -3.931  -7.040
   67    H    LYS   7           H        LYS   7   5.811  -3.495  -1.245
   68    HA   LYS   7           HA       LYS   7   4.225  -5.976  -1.748
   69   1HB   LYS   7          2HB       LYS   7   3.525  -5.920   0.637
   70   2HB   LYS   7          1HB       LYS   7   5.271  -6.125   0.485
   71   1HG   LYS   7          2HG       LYS   7   5.340  -3.517   0.618
   72   2HG   LYS   7          1HG       LYS   7   3.725  -3.680   1.311
   73   1HD   LYS   7          2HD       LYS   7   5.022  -5.562   2.753
   74   2HD   LYS   7          1HD       LYS   7   6.359  -4.452   2.447
   75   1HE   LYS   7          2HE       LYS   7   4.021  -2.921   3.155
   76   2HE   LYS   7          1HE       LYS   7   4.315  -4.161   4.391
   77   1HZ   LYS   7          1HZ       LYS   7   6.270  -2.204   3.314
   78   2HZ   LYS   7          2HZ       LYS   7   6.702  -3.522   4.294
   79   3HZ   LYS   7          3HZ       LYS   7   5.691  -2.300   4.905
   80    H    ILE   8           H        ILE   8   2.631  -5.060  -3.036
   81    HA   ILE   8           HA       ILE   8   1.257  -2.607  -1.986
   82    HB   ILE   8           HB       ILE   8   1.540  -3.387  -4.893
   83   1HG1  ILE   8          2HG1      ILE   8   3.464  -1.816  -3.161
   84   2HG1  ILE   8          1HG1      ILE   8   3.811  -3.279  -4.079
   85   1HG2  ILE   8          1HG2      ILE   8   1.612  -0.593  -4.461
   86   2HG2  ILE   8          2HG2      ILE   8   0.352  -1.219  -3.398
   87   3HG2  ILE   8          3HG2      ILE   8   0.279  -1.534  -5.132
   88   1HD1  ILE   8          1HD1      ILE   8   2.717  -1.422  -5.918
   89   2HD1  ILE   8          2HD1      ILE   8   4.381  -1.999  -5.839
   90   3HD1  ILE   8          3HD1      ILE   8   3.912  -0.541  -4.967
   91    H    GLY   9           H        GLY   9   0.956  -5.714  -3.653
   92   1HA   GLY   9          2HA       GLY   9  -1.772  -5.642  -4.340
   93   2HA   GLY   9          1HA       GLY   9  -0.905  -7.118  -3.928
   94    H    ILE  10           H        ILE  10  -0.328  -5.703  -1.243
   95    HA   ILE  10           HA       ILE  10  -2.940  -6.446   0.026
   96    HB   ILE  10           HB       ILE  10  -0.169  -6.351   1.244
   97   1HG1  ILE  10          2HG1      ILE  10  -1.611  -8.583  -0.209
   98   2HG1  ILE  10          1HG1      ILE  10  -0.001  -7.943  -0.531
   99   1HG2  ILE  10          1HG2      ILE  10  -1.143  -7.754   2.967
  100   2HG2  ILE  10          2HG2      ILE  10  -2.650  -7.891   2.061
  101   3HG2  ILE  10          3HG2      ILE  10  -2.179  -6.342   2.759
  102   1HD1  ILE  10          1HD1      ILE  10  -0.906  -9.785   1.644
  103   2HD1  ILE  10          2HD1      ILE  10   0.414  -8.668   1.994
  104   3HD1  ILE  10          3HD1      ILE  10   0.569  -9.832   0.679
  105    H    GLY  11           H        GLY  11  -1.013  -3.817  -0.745
  106   1HA   GLY  11          2HA       GLY  11  -1.919  -2.262   1.631
  107   2HA   GLY  11          1HA       GLY  11  -0.545  -1.826   0.628
  108    H    LYS  12           H        LYS  12  -0.929  -0.880  -1.392
  109    HA   LYS  12           HA       LYS  12  -2.692   1.138  -1.751
  110   1HB   LYS  12          2HB       LYS  12  -1.462  -0.852  -3.611
  111   2HB   LYS  12          1HB       LYS  12  -2.636   0.281  -4.283
  112   1HG   LYS  12          2HG       LYS  12  -0.691   1.546  -2.481
  113   2HG   LYS  12          1HG       LYS  12   0.044   0.822  -3.910
  114   1HD   LYS  12          2HD       LYS  12  -0.858   2.374  -5.296
  115   2HD   LYS  12          1HD       LYS  12  -2.427   2.301  -4.493
  116   1HE   LYS  12          2HE       LYS  12  -1.916   4.355  -3.651
  117   2HE   LYS  12          1HE       LYS  12  -0.764   3.510  -2.596
  118   1HZ   LYS  12          1HZ       LYS  12   0.703   3.537  -4.719
  119   2HZ   LYS  12          2HZ       LYS  12   0.623   4.925  -3.743
  120   3HZ   LYS  12          3HZ       LYS  12  -0.281   4.839  -5.179
  121    H    PHE  13           H        PHE  13  -3.528  -2.280  -2.458
  122    HA   PHE  13           HA       PHE  13  -6.087  -1.861  -3.571
  123   1HB   PHE  13          2HB       PHE  13  -4.836  -4.014  -3.390
  124   2HB   PHE  13          1HB       PHE  13  -5.215  -4.055  -1.674
  125    HD1  PHE  13           HD1      PHE  13  -6.701  -4.067  -5.081
  126    HD2  PHE  13           HD2      PHE  13  -7.374  -4.713  -0.888
  127    HE1  PHE  13           HE1      PHE  13  -8.916  -5.061  -5.590
  128    HE2  PHE  13           HE2      PHE  13  -9.588  -5.707  -1.396
  129    HZ   PHE  13           HZ       PHE  13 -10.360  -5.880  -3.748
  130    H    LEU  14           H        LEU  14  -5.735  -3.041  -0.282
  131    HA   LEU  14           HA       LEU  14  -8.264  -2.027   0.606
  132   1HB   LEU  14          2HB       LEU  14  -5.831  -3.300   1.746
  133   2HB   LEU  14          1HB       LEU  14  -6.866  -2.441   2.888
  134    HG   LEU  14           HG       LEU  14  -8.299  -4.167   0.959
  135   1HD1  LEU  14          1HD1      LEU  14  -6.169  -5.190   2.773
  136   2HD1  LEU  14          2HD1      LEU  14  -6.766  -5.856   1.254
  137   3HD1  LEU  14          3HD1      LEU  14  -7.687  -6.087   2.741
  138   1HD2  LEU  14          1HD2      LEU  14  -9.775  -4.413   2.739
  139   2HD2  LEU  14          2HD2      LEU  14  -9.067  -2.845   3.126
  140   3HD2  LEU  14          3HD2      LEU  14  -8.497  -4.297   3.949
  141    H    HIS  15           H        HIS  15  -5.341  -0.432   0.015
  142    HA   HIS  15           HA       HIS  15  -5.504   1.590   2.115
  143   1HB   HIS  15          2HB       HIS  15  -3.512   0.716   0.643
  144   2HB   HIS  15          1HB       HIS  15  -4.095   1.893  -0.530
  145    HD1  HIS  15           HD1      HIS  15  -2.643   3.912  -0.326
  146    HD2  HIS  15           HD2      HIS  15  -3.606   2.332   3.411
  147    HE1  HIS  15           HE1      HIS  15  -1.646   5.482   1.396
  148    H    SER  16           H        SER  16  -5.875   1.816  -1.445
  149    HA   SER  16           HA       SER  16  -7.143   4.375  -1.419
  150   1HB   SER  16          2HB       SER  16  -6.271   3.745  -3.479
  151   2HB   SER  16          1HB       SER  16  -6.808   2.076  -3.305
  152    HG   SER  16           HG       SER  16  -8.903   2.748  -3.736
  153    H    ALA  17           H        ALA  17  -8.326   1.228  -0.719
  154    HA   ALA  17           HA       ALA  17 -11.163   1.877  -1.195
  155   1HB   ALA  17          1HB       ALA  17  -9.576  -0.454  -0.111
  156   2HB   ALA  17          2HB       ALA  17 -10.523  -0.375  -1.596
  157   3HB   ALA  17          3HB       ALA  17 -11.338  -0.437  -0.033
  158    H    LYS  18           H        LYS  18  -9.008   1.313   1.588
  159    HA   LYS  18           HA       LYS  18 -10.946   1.703   3.642
  160   1HB   LYS  18          2HB       LYS  18  -8.945   0.718   4.320
  161   2HB   LYS  18          1HB       LYS  18  -7.968   1.797   3.327
  162   1HG   LYS  18          2HG       LYS  18  -7.629   2.379   5.659
  163   2HG   LYS  18          1HG       LYS  18  -8.553   3.670   4.892
  164   1HD   LYS  18          2HD       LYS  18 -10.352   3.304   6.205
  165   2HD   LYS  18          1HD       LYS  18 -10.267   1.558   5.965
  166   1HE   LYS  18          2HE       LYS  18  -9.869   1.977   8.323
  167   2HE   LYS  18          1HE       LYS  18  -8.306   1.546   7.603
  168   1HZ   LYS  18          1HZ       LYS  18  -8.713   4.283   7.197
  169   2HZ   LYS  18          2HZ       LYS  18  -7.537   3.536   8.168
  170   3HZ   LYS  18          3HZ       LYS  18  -9.039   3.968   8.831
  171    H    LYS  19           H        LYS  19  -9.416   3.907   1.502
  172    HA   LYS  19           HA       LYS  19  -9.811   6.275   3.211
  173   1HB   LYS  19          2HB       LYS  19  -8.876   5.779   0.374
  174   2HB   LYS  19          1HB       LYS  19  -9.003   7.397   1.066
  175   1HG   LYS  19          2HG       LYS  19  -7.503   6.666   2.931
  176   2HG   LYS  19          1HG       LYS  19  -7.295   5.120   2.105
  177   1HD   LYS  19          2HD       LYS  19  -5.496   6.202   1.184
  178   2HD   LYS  19          1HD       LYS  19  -6.724   6.784   0.062
  179   1HE   LYS  19          2HE       LYS  19  -7.052   8.717   1.800
  180   2HE   LYS  19          1HE       LYS  19  -5.442   8.238   2.368
  181   1HZ   LYS  19          1HZ       LYS  19  -6.035   8.627  -0.504
  182   2HZ   LYS  19          2HZ       LYS  19  -4.517   8.561   0.258
  183   3HZ   LYS  19          3HZ       LYS  19  -5.524   9.912   0.477
  184    H    PHE  20           H        PHE  20 -10.930   5.504  -0.112
  185    HA   PHE  20           HA       PHE  20 -13.327   7.189   0.347
  186   1HB   PHE  20          2HB       PHE  20 -11.485   6.902  -1.662
  187   2HB   PHE  20          1HB       PHE  20 -12.799   5.891  -2.247
  188    HD1  PHE  20           HD1      PHE  20 -11.532   9.158  -2.181
  189    HD2  PHE  20           HD2      PHE  20 -15.239   7.001  -1.920
  190    HE1  PHE  20           HE1      PHE  20 -12.766  11.201  -2.850
  191    HE2  PHE  20           HE2      PHE  20 -16.473   9.046  -2.592
  192    HZ   PHE  20           HZ       PHE  20 -15.236  11.146  -3.057
  193   1HN   NH2  21          1HN       NH2  21 -13.537   4.752   1.789
  194   2HN   NH2  21          2HN       NH2  21 -14.639   3.721   1.013
  Start of MODEL   13
    1   1H    LYS   1          1H        LYS   1  10.927  -3.183  17.154
    2   2H    LYS   1          2H        LYS   1  10.634  -1.599  17.693
    3   3H    LYS   1          3H        LYS   1  11.227  -2.772  18.770
    4    HA   LYS   1           HA       LYS   1  12.895  -1.082  17.840
    5   1HB   LYS   1          2HB       LYS   1  12.905  -3.798  18.651
    6   2HB   LYS   1          1HB       LYS   1  14.042  -3.679  17.307
    7   1HG   LYS   1          2HG       LYS   1  15.262  -1.907  18.406
    8   2HG   LYS   1          1HG       LYS   1  14.045  -1.795  19.680
    9   1HD   LYS   1          2HD       LYS   1  15.245  -3.300  20.852
   10   2HD   LYS   1          1HD       LYS   1  14.813  -4.499  19.631
   11   1HE   LYS   1          2HE       LYS   1  16.907  -4.488  18.737
   12   2HE   LYS   1          1HE       LYS   1  17.009  -2.716  18.801
   13   1HZ   LYS   1          1HZ       LYS   1  17.750  -2.734  20.943
   14   2HZ   LYS   1          2HZ       LYS   1  18.421  -4.205  20.424
   15   3HZ   LYS   1          3HZ       LYS   1  16.982  -4.196  21.329
   16    H    ALA   2           H        ALA   2  12.874  -4.040  15.853
   17    HA   ALA   2           HA       ALA   2  13.072  -2.306  13.410
   18   1HB   ALA   2          1HB       ALA   2  14.459  -4.560  12.779
   19   2HB   ALA   2          2HB       ALA   2  14.733  -4.501  14.520
   20   3HB   ALA   2          3HB       ALA   2  15.207  -3.137  13.506
   21    H    LYS   3           H        LYS   3  10.586  -2.853  13.624
   22    HA   LYS   3           HA       LYS   3  10.087  -5.333  12.024
   23   1HB   LYS   3          2HB       LYS   3   9.644  -5.345  14.625
   24   2HB   LYS   3          1HB       LYS   3   8.203  -4.428  14.185
   25   1HG   LYS   3          2HG       LYS   3   7.180  -6.246  13.301
   26   2HG   LYS   3          1HG       LYS   3   8.646  -6.773  12.475
   27   1HD   LYS   3          2HD       LYS   3   9.351  -8.066  14.251
   28   2HD   LYS   3          1HD       LYS   3   8.579  -7.027  15.449
   29   1HE   LYS   3          2HE       LYS   3   6.425  -8.009  13.986
   30   2HE   LYS   3          1HE       LYS   3   7.514  -9.404  14.115
   31   1HZ   LYS   3          1HZ       LYS   3   7.475  -9.357  16.384
   32   2HZ   LYS   3          2HZ       LYS   3   5.906  -8.783  16.074
   33   3HZ   LYS   3          3HZ       LYS   3   7.148  -7.694  16.466
   34    H    LEU   4           H        LEU   4   8.614  -4.994  10.354
   35    HA   LEU   4           HA       LEU   4   6.862  -2.596  10.440
   36   1HB   LEU   4          2HB       LEU   4   7.784  -1.696   8.418
   37   2HB   LEU   4          1HB       LEU   4   9.157  -2.077   9.453
   38    HG   LEU   4           HG       LEU   4   8.159  -4.124   7.482
   39   1HD1  LEU   4          1HD1      LEU   4  10.003  -3.148   5.963
   40   2HD1  LEU   4          2HD1      LEU   4   9.847  -1.683   6.934
   41   3HD1  LEU   4          3HD1      LEU   4   8.463  -2.288   6.021
   42   1HD2  LEU   4          1HD2      LEU   4   9.803  -4.992   8.948
   43   2HD2  LEU   4          2HD2      LEU   4  10.731  -3.494   8.935
   44   3HD2  LEU   4          3HD2      LEU   4  10.722  -4.539   7.514
   45    H    PHE   5           H        PHE   5   6.576  -5.627  10.383
   46    HA   PHE   5           HA       PHE   5   5.555  -6.384   7.785
   47   1HB   PHE   5          2HB       PHE   5   6.396  -7.838   9.716
   48   2HB   PHE   5          1HB       PHE   5   4.844  -7.537  10.496
   49    HD1  PHE   5           HD1      PHE   5   6.586  -9.327   7.834
   50    HD2  PHE   5           HD2      PHE   5   2.727  -8.292   9.413
   51    HE1  PHE   5           HE1      PHE   5   5.546 -11.116   6.465
   52    HE2  PHE   5           HE2      PHE   5   1.688 -10.079   8.044
   53    HZ   PHE   5           HZ       PHE   5   3.096 -11.491   6.570
   54    H    LYS   6           H        LYS   6   3.592  -5.859   6.916
   55    HA   LYS   6           HA       LYS   6   1.172  -5.577   8.511
   56   1HB   LYS   6          2HB       LYS   6   2.085  -3.463   9.116
   57   2HB   LYS   6          1HB       LYS   6   2.690  -3.173   7.486
   58   1HG   LYS   6          2HG       LYS   6   0.662  -1.832   7.939
   59   2HG   LYS   6          1HG       LYS   6   0.384  -2.999   6.645
   60   1HD   LYS   6          2HD       LYS   6  -0.843  -4.451   8.076
   61   2HD   LYS   6          1HD       LYS   6  -0.284  -3.618   9.528
   62   1HE   LYS   6          2HE       LYS   6  -1.922  -2.041   9.374
   63   2HE   LYS   6          1HE       LYS   6  -1.679  -1.847   7.627
   64   1HZ   LYS   6          1HZ       LYS   6  -2.739  -4.065   7.354
   65   2HZ   LYS   6          2HZ       LYS   6  -3.793  -2.870   7.945
   66   3HZ   LYS   6          3HZ       LYS   6  -3.145  -4.034   9.000
   67    H    LYS   7           H        LYS   7   2.260  -3.886   5.552
   68    HA   LYS   7           HA       LYS   7   1.185  -5.734   3.667
   69   1HB   LYS   7          2HB       LYS   7  -0.750  -4.412   5.219
   70   2HB   LYS   7          1HB       LYS   7  -0.785  -3.599   3.652
   71   1HG   LYS   7          2HG       LYS   7  -0.796  -5.960   2.624
   72   2HG   LYS   7          1HG       LYS   7  -1.201  -6.529   4.244
   73   1HD   LYS   7          2HD       LYS   7  -3.074  -4.738   4.177
   74   2HD   LYS   7          1HD       LYS   7  -2.795  -4.724   2.436
   75   1HE   LYS   7          2HE       LYS   7  -4.453  -6.375   2.628
   76   2HE   LYS   7          1HE       LYS   7  -2.977  -7.357   2.698
   77   1HZ   LYS   7          1HZ       LYS   7  -4.910  -7.166   4.656
   78   2HZ   LYS   7          2HZ       LYS   7  -3.603  -6.257   5.249
   79   3HZ   LYS   7          3HZ       LYS   7  -3.382  -7.883   4.810
   80    H    ILE   8           H        ILE   8   2.402  -5.142   1.934
   81    HA   ILE   8           HA       ILE   8   2.658  -2.223   1.300
   82    HB   ILE   8           HB       ILE   8   4.722  -4.404   0.896
   83   1HG1  ILE   8          2HG1      ILE   8   4.137  -2.586   3.225
   84   2HG1  ILE   8          1HG1      ILE   8   4.534  -4.301   3.237
   85   1HG2  ILE   8          1HG2      ILE   8   4.880  -1.372   0.870
   86   2HG2  ILE   8          2HG2      ILE   8   4.972  -2.424  -0.542
   87   3HG2  ILE   8          3HG2      ILE   8   6.250  -2.464   0.672
   88   1HD1  ILE   8          1HD1      ILE   8   6.785  -3.240   2.084
   89   2HD1  ILE   8          2HD1      ILE   8   6.621  -3.593   3.804
   90   3HD1  ILE   8          3HD1      ILE   8   6.330  -1.959   3.209
   91    H    GLY   9           H        GLY   9   3.502  -5.331  -0.290
   92   1HA   GLY   9          2HA       GLY   9   3.153  -4.568  -2.932
   93   2HA   GLY   9          1HA       GLY   9   2.783  -6.192  -2.367
   94    H    ILE  10           H        ILE  10   0.634  -6.532  -1.492
   95    HA   ILE  10           HA       ILE  10  -1.437  -5.315  -3.153
   96    HB   ILE  10           HB       ILE  10  -1.579  -7.212  -0.793
   97   1HG1  ILE  10          2HG1      ILE  10  -1.359  -7.792  -3.768
   98   2HG1  ILE  10          1HG1      ILE  10  -0.070  -8.022  -2.586
   99   1HG2  ILE  10          1HG2      ILE  10  -3.793  -6.675  -1.140
  100   2HG2  ILE  10          2HG2      ILE  10  -3.627  -7.922  -2.375
  101   3HG2  ILE  10          3HG2      ILE  10  -3.528  -6.218  -2.823
  102   1HD1  ILE  10          1HD1      ILE  10  -2.769  -9.344  -2.283
  103   2HD1  ILE  10          2HD1      ILE  10  -1.260  -9.750  -1.467
  104   3HD1  ILE  10          3HD1      ILE  10  -1.454 -10.099  -3.185
  105    H    GLY  11           H        GLY  11   0.057  -4.295  -0.359
  106   1HA   GLY  11          2HA       GLY  11  -2.129  -3.446   1.270
  107   2HA   GLY  11          1HA       GLY  11  -0.514  -2.744   1.310
  108    H    LYS  12           H        LYS  12  -1.274  -2.409  -1.815
  109    HA   LYS  12           HA       LYS  12  -1.973   0.415  -1.519
  110   1HB   LYS  12          2HB       LYS  12  -0.543  -1.030  -3.293
  111   2HB   LYS  12          1HB       LYS  12  -2.090  -0.996  -4.141
  112   1HG   LYS  12          2HG       LYS  12  -1.264   1.597  -2.995
  113   2HG   LYS  12          1HG       LYS  12  -0.220   0.997  -4.285
  114   1HD   LYS  12          2HD       LYS  12  -2.515   0.498  -5.493
  115   2HD   LYS  12          1HD       LYS  12  -3.125   1.733  -4.391
  116   1HE   LYS  12          2HE       LYS  12  -1.085   3.149  -5.198
  117   2HE   LYS  12          1HE       LYS  12  -1.051   2.014  -6.562
  118   1HZ   LYS  12          1HZ       LYS  12  -3.554   3.306  -5.653
  119   2HZ   LYS  12          2HZ       LYS  12  -3.256   2.510  -7.124
  120   3HZ   LYS  12          3HZ       LYS  12  -2.550   4.025  -6.815
  121    H    PHE  13           H        PHE  13  -3.600  -2.525  -2.697
  122    HA   PHE  13           HA       PHE  13  -5.984  -1.351  -3.677
  123   1HB   PHE  13          2HB       PHE  13  -5.005  -3.765  -3.731
  124   2HB   PHE  13          1HB       PHE  13  -5.861  -3.968  -2.207
  125    HD1  PHE  13           HD1      PHE  13  -6.165  -4.503  -5.609
  126    HD2  PHE  13           HD2      PHE  13  -8.354  -2.818  -2.322
  127    HE1  PHE  13           HE1      PHE  13  -8.289  -4.860  -6.842
  128    HE2  PHE  13           HE2      PHE  13 -10.478  -3.175  -3.551
  129    HZ   PHE  13           HZ       PHE  13 -10.446  -4.197  -5.811
  130    H    LEU  14           H        LEU  14  -5.388  -2.799  -0.524
  131    HA   LEU  14           HA       LEU  14  -7.882  -2.034   0.663
  132   1HB   LEU  14          2HB       LEU  14  -5.165  -2.868   1.664
  133   2HB   LEU  14          1HB       LEU  14  -6.473  -2.500   2.789
  134    HG   LEU  14           HG       LEU  14  -7.769  -4.134   1.038
  135   1HD1  LEU  14          1HD1      LEU  14  -6.083  -4.922  -0.329
  136   2HD1  LEU  14          2HD1      LEU  14  -5.960  -6.099   0.980
  137   3HD1  LEU  14          3HD1      LEU  14  -4.845  -4.735   0.914
  138   1HD2  LEU  14          1HD2      LEU  14  -6.396  -5.764   2.993
  139   2HD2  LEU  14          2HD2      LEU  14  -8.079  -5.234   2.982
  140   3HD2  LEU  14          3HD2      LEU  14  -6.838  -4.212   3.708
  141    H    HIS  15           H        HIS  15  -5.222  -0.132  -0.191
  142    HA   HIS  15           HA       HIS  15  -5.346   1.777   2.017
  143   1HB   HIS  15          2HB       HIS  15  -3.450   1.147   0.307
  144   2HB   HIS  15          1HB       HIS  15  -4.240   2.341  -0.721
  145    HD1  HIS  15           HD1      HIS  15  -5.058   4.454   1.310
  146    HD2  HIS  15           HD2      HIS  15  -1.327   2.594   1.381
  147    HE1  HIS  15           HE1      HIS  15  -3.511   5.998   2.589
  148    H    SER  16           H        SER  16  -6.149   2.065  -1.463
  149    HA   SER  16           HA       SER  16  -7.548   4.534  -1.244
  150   1HB   SER  16          2HB       SER  16  -7.725   4.231  -3.498
  151   2HB   SER  16          1HB       SER  16  -6.699   2.827  -3.217
  152    HG   SER  16           HG       SER  16  -8.421   1.959  -4.182
  153    H    ALA  17           H        ALA  17  -8.702   1.209  -1.137
  154    HA   ALA  17           HA       ALA  17 -11.495   1.681  -1.083
  155   1HB   ALA  17          1HB       ALA  17 -11.383  -0.571  -0.968
  156   2HB   ALA  17          2HB       ALA  17 -10.754  -0.471   0.677
  157   3HB   ALA  17          3HB       ALA  17  -9.646  -0.446  -0.694
  158    H    LYS  18           H        LYS  18  -9.341   1.159   1.749
  159    HA   LYS  18           HA       LYS  18 -11.288   1.844   3.711
  160   1HB   LYS  18          2HB       LYS  18  -8.487   1.202   3.502
  161   2HB   LYS  18          1HB       LYS  18  -8.696   2.542   4.630
  162   1HG   LYS  18          2HG       LYS  18  -8.859   0.325   5.757
  163   2HG   LYS  18          1HG       LYS  18 -10.348   1.262   5.899
  164   1HD   LYS  18          2HD       LYS  18 -11.361  -0.617   5.124
  165   2HD   LYS  18          1HD       LYS  18 -10.771  -0.086   3.548
  166   1HE   LYS  18          2HE       LYS  18  -8.555  -1.357   4.384
  167   2HE   LYS  18          1HE       LYS  18  -9.763  -2.284   5.296
  168   1HZ   LYS  18          1HZ       LYS  18  -9.224  -2.369   2.530
  169   2HZ   LYS  18          2HZ       LYS  18 -10.811  -1.806   2.755
  170   3HZ   LYS  18          3HZ       LYS  18 -10.333  -3.296   3.417
  171    H    LYS  19           H        LYS  19  -9.505   3.806   1.533
  172    HA   LYS  19           HA       LYS  19  -9.722   6.267   3.141
  173   1HB   LYS  19          2HB       LYS  19  -8.125   5.301   1.059
  174   2HB   LYS  19          1HB       LYS  19  -9.110   6.555   0.301
  175   1HG   LYS  19          2HG       LYS  19  -7.737   8.092   1.211
  176   2HG   LYS  19          1HG       LYS  19  -8.334   7.609   2.799
  177   1HD   LYS  19          2HD       LYS  19  -6.179   7.036   3.211
  178   2HD   LYS  19          1HD       LYS  19  -6.542   5.604   2.247
  179   1HE   LYS  19          2HE       LYS  19  -4.908   6.274   0.818
  180   2HE   LYS  19          1HE       LYS  19  -5.961   7.628   0.366
  181   1HZ   LYS  19          1HZ       LYS  19  -4.601   7.912   2.910
  182   2HZ   LYS  19          2HZ       LYS  19  -4.847   9.053   1.676
  183   3HZ   LYS  19          3HZ       LYS  19  -3.580   7.929   1.558
  184    H    PHE  20           H        PHE  20 -10.874   5.434  -0.167
  185    HA   PHE  20           HA       PHE  20 -13.037   7.427   0.073
  186   1HB   PHE  20          2HB       PHE  20 -11.712   7.121  -1.996
  187   2HB   PHE  20          1HB       PHE  20 -12.283   5.455  -2.112
  188    HD1  PHE  20           HD1      PHE  20 -13.498   8.989  -1.932
  189    HD2  PHE  20           HD2      PHE  20 -14.321   4.967  -3.200
  190    HE1  PHE  20           HE1      PHE  20 -15.544   9.773  -3.095
  191    HE2  PHE  20           HE2      PHE  20 -16.367   5.753  -4.361
  192    HZ   PHE  20           HZ       PHE  20 -16.979   8.154  -4.308
  193   1HN   NH2  21          1HN       NH2  21 -13.235   5.099   1.907
  194   2HN   NH2  21          2HN       NH2  21 -14.651   4.265   1.481
  Start of MODEL   14
    1   1H    LYS   1          1H        LYS   1  -6.204  -9.826   5.860
    2   2H    LYS   1          2H        LYS   1  -5.625 -10.573   4.448
    3   3H    LYS   1          3H        LYS   1  -5.006  -9.066   4.930
    4    HA   LYS   1           HA       LYS   1  -3.672  -9.950   6.544
    5   1HB   LYS   1          2HB       LYS   1  -6.132 -11.303   7.005
    6   2HB   LYS   1          1HB       LYS   1  -4.869 -12.534   6.968
    7   1HG   LYS   1          2HG       LYS   1  -4.599  -9.984   8.571
    8   2HG   LYS   1          1HG       LYS   1  -5.305 -11.455   9.243
    9   1HD   LYS   1          2HD       LYS   1  -3.271 -12.375   9.548
   10   2HD   LYS   1          1HD       LYS   1  -2.813 -12.044   7.877
   11   1HE   LYS   1          2HE       LYS   1  -2.684  -9.526   8.919
   12   2HE   LYS   1          1HE       LYS   1  -2.207 -10.493  10.328
   13   1HZ   LYS   1          1HZ       LYS   1  -0.768 -11.776   8.703
   14   2HZ   LYS   1          2HZ       LYS   1  -0.241 -10.214   9.108
   15   3HZ   LYS   1          3HZ       LYS   1  -1.010 -10.494   7.619
   16    H    ALA   2           H        ALA   2  -2.845 -10.074   4.058
   17    HA   ALA   2           HA       ALA   2  -1.498 -12.674   3.826
   18   1HB   ALA   2          1HB       ALA   2  -2.544 -13.347   1.798
   19   2HB   ALA   2          2HB       ALA   2  -3.263 -11.756   1.550
   20   3HB   ALA   2          3HB       ALA   2  -3.877 -12.813   2.822
   21    H    LYS   3           H        LYS   3   0.539 -11.727   3.620
   22    HA   LYS   3           HA       LYS   3   0.949  -9.976   1.238
   23   1HB   LYS   3          2HB       LYS   3   0.911  -9.172   3.983
   24   2HB   LYS   3          1HB       LYS   3   2.570  -9.038   3.400
   25   1HG   LYS   3          2HG       LYS   3   1.741  -7.758   1.429
   26   2HG   LYS   3          1HG       LYS   3   0.112  -7.826   2.102
   27   1HD   LYS   3          2HD       LYS   3   2.032  -6.890   4.075
   28   2HD   LYS   3          1HD       LYS   3   2.045  -5.873   2.635
   29   1HE   LYS   3          2HE       LYS   3  -0.033  -5.037   3.067
   30   2HE   LYS   3          1HE       LYS   3  -0.667  -6.627   3.533
   31   1HZ   LYS   3          1HZ       LYS   3   0.583  -4.586   5.175
   32   2HZ   LYS   3          2HZ       LYS   3   1.104  -6.173   5.484
   33   3HZ   LYS   3          3HZ       LYS   3  -0.544  -5.779   5.601
   34    H    LEU   4           H        LEU   4   1.742 -12.408   0.823
   35    HA   LEU   4           HA       LEU   4   4.667 -12.467   1.485
   36   1HB   LEU   4          2HB       LEU   4   4.494 -14.776   1.999
   37   2HB   LEU   4          1HB       LEU   4   3.054 -14.076   2.738
   38    HG   LEU   4           HG       LEU   4   2.231 -14.633   0.144
   39   1HD1  LEU   4          1HD1      LEU   4   4.498 -15.970   0.135
   40   2HD1  LEU   4          2HD1      LEU   4   3.040 -16.718  -0.521
   41   3HD1  LEU   4          3HD1      LEU   4   3.591 -17.134   1.102
   42   1HD2  LEU   4          1HD2      LEU   4   0.612 -15.714   1.303
   43   2HD2  LEU   4          2HD2      LEU   4   1.498 -15.240   2.752
   44   3HD2  LEU   4          3HD2      LEU   4   1.769 -16.827   2.031
   45    H    PHE   5           H        PHE   5   2.483 -12.066  -0.926
   46    HA   PHE   5           HA       PHE   5   3.497 -13.871  -2.969
   47   1HB   PHE   5          2HB       PHE   5   1.679 -11.483  -2.754
   48   2HB   PHE   5          1HB       PHE   5   2.129 -12.099  -4.335
   49    HD1  PHE   5           HD1      PHE   5  -0.556 -12.115  -2.452
   50    HD2  PHE   5           HD2      PHE   5   2.292 -15.007  -3.855
   51    HE1  PHE   5           HE1      PHE   5  -2.263 -13.900  -2.235
   52    HE2  PHE   5           HE2      PHE   5   0.585 -16.793  -3.639
   53    HZ   PHE   5           HZ       PHE   5  -1.693 -16.240  -2.829
   54    H    LYS   6           H        LYS   6   3.787 -12.068  -5.126
   55    HA   LYS   6           HA       LYS   6   6.201 -10.464  -4.362
   56   1HB   LYS   6          2HB       LYS   6   6.272 -12.849  -5.634
   57   2HB   LYS   6          1HB       LYS   6   6.042 -11.788  -7.026
   58   1HG   LYS   6          2HG       LYS   6   7.964 -10.382  -6.080
   59   2HG   LYS   6          1HG       LYS   6   8.284 -11.739  -5.000
   60   1HD   LYS   6          2HD       LYS   6   8.204 -11.885  -8.028
   61   2HD   LYS   6          1HD       LYS   6   9.666 -11.892  -7.040
   62   1HE   LYS   6          2HE       LYS   6   9.204 -14.030  -6.150
   63   2HE   LYS   6          1HE       LYS   6   7.486 -13.938  -6.586
   64   1HZ   LYS   6          1HZ       LYS   6   9.754 -13.993  -8.510
   65   2HZ   LYS   6          2HZ       LYS   6   8.106 -13.906  -8.917
   66   3HZ   LYS   6          3HZ       LYS   6   8.727 -15.300  -8.171
   67    H    LYS   7           H        LYS   7   3.682  -9.278  -4.560
   68    HA   LYS   7           HA       LYS   7   3.904  -7.781  -7.150
   69   1HB   LYS   7          2HB       LYS   7   1.549  -9.031  -5.744
   70   2HB   LYS   7          1HB       LYS   7   1.311  -7.671  -6.842
   71   1HG   LYS   7          2HG       LYS   7   2.337  -8.885  -8.669
   72   2HG   LYS   7          1HG       LYS   7   2.791 -10.206  -7.591
   73   1HD   LYS   7          2HD       LYS   7   0.827 -11.178  -8.115
   74   2HD   LYS   7          1HD       LYS   7   0.040  -9.897  -7.193
   75   1HE   LYS   7          2HE       LYS   7   0.709  -8.798  -9.738
   76   2HE   LYS   7          1HE       LYS   7  -0.090 -10.358 -10.020
   77   1HZ   LYS   7          1HZ       LYS   7  -1.867  -8.919  -9.707
   78   2HZ   LYS   7          2HZ       LYS   7  -1.074  -8.025  -8.499
   79   3HZ   LYS   7          3HZ       LYS   7  -1.661  -9.583  -8.161
   80    H    ILE   8           H        ILE   8   2.697  -5.609  -6.950
   81    HA   ILE   8           HA       ILE   8   2.945  -4.509  -4.175
   82    HB   ILE   8           HB       ILE   8   3.591  -3.040  -6.734
   83   1HG1  ILE   8          2HG1      ILE   8   5.376  -4.829  -5.061
   84   2HG1  ILE   8          1HG1      ILE   8   5.021  -4.981  -6.779
   85   1HG2  ILE   8          1HG2      ILE   8   4.117  -2.668  -3.792
   86   2HG2  ILE   8          2HG2      ILE   8   3.434  -1.524  -4.946
   87   3HG2  ILE   8          3HG2      ILE   8   5.156  -1.891  -4.986
   88   1HD1  ILE   8          1HD1      ILE   8   6.739  -2.937  -5.390
   89   2HD1  ILE   8          2HD1      ILE   8   6.023  -2.582  -6.962
   90   3HD1  ILE   8          3HD1      ILE   8   7.128  -3.944  -6.785
   91    H    GLY   9           H        GLY   9   1.012  -4.847  -7.010
   92   1HA   GLY   9          2HA       GLY   9  -0.575  -2.437  -6.587
   93   2HA   GLY   9          1HA       GLY   9  -0.954  -3.729  -7.722
   94    H    ILE  10           H        ILE  10  -0.527  -5.602  -5.305
   95    HA   ILE  10           HA       ILE  10  -3.350  -5.640  -4.498
   96    HB   ILE  10           HB       ILE  10  -0.953  -7.359  -3.788
   97   1HG1  ILE  10          2HG1      ILE  10  -3.125  -7.598  -5.889
   98   2HG1  ILE  10          1HG1      ILE  10  -1.392  -7.436  -6.167
   99   1HG2  ILE  10          1HG2      ILE  10  -3.668  -7.297  -2.786
  100   2HG2  ILE  10          2HG2      ILE  10  -2.328  -8.330  -2.289
  101   3HG2  ILE  10          3HG2      ILE  10  -3.366  -8.815  -3.630
  102   1HD1  ILE  10          1HD1      ILE  10  -2.589  -9.753  -4.633
  103   2HD1  ILE  10          2HD1      ILE  10  -0.952  -9.615  -5.272
  104   3HD1  ILE  10          3HD1      ILE  10  -2.316  -9.801  -6.374
  105    H    GLY  11           H        GLY  11  -0.589  -4.082  -3.384
  106   1HA   GLY  11          2HA       GLY  11  -1.405  -4.231  -0.534
  107   2HA   GLY  11          1HA       GLY  11   0.103  -3.540  -1.119
  108    H    LYS  12           H        LYS  12  -1.395  -2.059  -3.237
  109    HA   LYS  12           HA       LYS  12  -2.068   0.298  -1.594
  110   1HB   LYS  12          2HB       LYS  12  -1.896   1.466  -3.673
  111   2HB   LYS  12          1HB       LYS  12  -0.652   0.219  -3.732
  112   1HG   LYS  12          2HG       LYS  12  -1.576  -0.545  -5.636
  113   2HG   LYS  12          1HG       LYS  12  -3.016  -0.983  -4.714
  114   1HD   LYS  12          2HD       LYS  12  -4.117   1.019  -5.237
  115   2HD   LYS  12          1HD       LYS  12  -2.614   1.858  -5.621
  116   1HE   LYS  12          2HE       LYS  12  -3.546  -0.499  -7.273
  117   2HE   LYS  12          1HE       LYS  12  -4.084   1.155  -7.627
  118   1HZ   LYS  12          1HZ       LYS  12  -2.107   0.920  -8.830
  119   2HZ   LYS  12          2HZ       LYS  12  -1.319   0.099  -7.567
  120   3HZ   LYS  12          3HZ       LYS  12  -1.639   1.763  -7.435
  121    H    PHE  13           H        PHE  13  -3.796  -2.348  -2.350
  122    HA   PHE  13           HA       PHE  13  -6.237  -1.153  -3.419
  123   1HB   PHE  13          2HB       PHE  13  -5.186  -3.573  -3.550
  124   2HB   PHE  13          1HB       PHE  13  -6.075  -3.806  -2.046
  125    HD1  PHE  13           HD1      PHE  13  -6.887  -1.834  -5.128
  126    HD2  PHE  13           HD2      PHE  13  -7.989  -5.072  -2.529
  127    HE1  PHE  13           HE1      PHE  13  -8.980  -2.157  -6.419
  128    HE2  PHE  13           HE2      PHE  13 -10.083  -5.394  -3.819
  129    HZ   PHE  13           HZ       PHE  13 -10.578  -3.936  -5.765
  130    H    LEU  14           H        LEU  14  -5.659  -2.908  -0.403
  131    HA   LEU  14           HA       LEU  14  -7.975  -2.073   0.969
  132   1HB   LEU  14          2HB       LEU  14  -5.321  -3.213   1.585
  133   2HB   LEU  14          1HB       LEU  14  -6.103  -2.403   2.943
  134    HG   LEU  14           HG       LEU  14  -8.087  -3.950   1.600
  135   1HD1  LEU  14          1HD1      LEU  14  -5.993  -5.176   0.770
  136   2HD1  LEU  14          2HD1      LEU  14  -7.194  -6.158   1.609
  137   3HD1  LEU  14          3HD1      LEU  14  -5.731  -5.643   2.449
  138   1HD2  LEU  14          1HD2      LEU  14  -6.855  -3.650   4.259
  139   2HD2  LEU  14          2HD2      LEU  14  -7.507  -5.261   3.956
  140   3HD2  LEU  14          3HD2      LEU  14  -8.553  -3.846   3.825
  141    H    HIS  15           H        HIS  15  -5.122  -0.324   0.212
  142    HA   HIS  15           HA       HIS  15  -5.253   1.663   2.318
  143   1HB   HIS  15          2HB       HIS  15  -3.392   0.857   0.593
  144   2HB   HIS  15          1HB       HIS  15  -4.067   2.156  -0.387
  145    HD1  HIS  15           HD1      HIS  15  -3.805   4.588   0.499
  146    HD2  HIS  15           HD2      HIS  15  -2.038   1.713   2.947
  147    HE1  HIS  15           HE1      HIS  15  -2.350   5.847   2.146
  148    H    SER  16           H        SER  16  -5.821   2.073  -1.206
  149    HA   SER  16           HA       SER  16  -7.418   4.467  -0.786
  150   1HB   SER  16          2HB       SER  16  -7.787   4.151  -3.275
  151   2HB   SER  16          1HB       SER  16  -6.095   4.185  -2.790
  152    HG   SER  16           HG       SER  16  -7.334   2.302  -4.115
  153    H    ALA  17           H        ALA  17  -8.115   1.265  -0.230
  154    HA   ALA  17           HA       ALA  17 -10.826   1.143  -1.323
  155   1HB   ALA  17          1HB       ALA  17  -9.414  -0.841  -1.024
  156   2HB   ALA  17          2HB       ALA  17 -10.839  -0.977   0.006
  157   3HB   ALA  17          3HB       ALA  17  -9.288  -0.516   0.705
  158    H    LYS  18           H        LYS  18  -9.409   1.496   1.957
  159    HA   LYS  18           HA       LYS  18 -12.076   2.097   3.079
  160   1HB   LYS  18          2HB       LYS  18  -9.659   0.961   3.965
  161   2HB   LYS  18          1HB       LYS  18  -9.800   2.487   4.840
  162   1HG   LYS  18          2HG       LYS  18 -12.121   0.567   4.626
  163   2HG   LYS  18          1HG       LYS  18 -10.916   0.422   5.905
  164   1HD   LYS  18          2HD       LYS  18 -12.454   2.970   5.337
  165   2HD   LYS  18          1HD       LYS  18 -12.944   1.782   6.546
  166   1HE   LYS  18          2HE       LYS  18 -11.583   2.873   8.000
  167   2HE   LYS  18          1HE       LYS  18 -10.215   2.247   7.058
  168   1HZ   LYS  18          1HZ       LYS  18 -11.586   4.842   6.836
  169   2HZ   LYS  18          2HZ       LYS  18 -10.852   4.169   5.459
  170   3HZ   LYS  18          3HZ       LYS  18  -9.922   4.509   6.840
  171    H    LYS  19           H        LYS  19  -9.534   3.799   1.629
  172    HA   LYS  19           HA       LYS  19  -9.784   6.279   3.182
  173   1HB   LYS  19          2HB       LYS  19  -7.872   5.181   1.610
  174   2HB   LYS  19          1HB       LYS  19  -8.654   6.227   0.424
  175   1HG   LYS  19          2HG       LYS  19  -8.493   8.047   2.293
  176   2HG   LYS  19          1HG       LYS  19  -7.265   6.987   2.985
  177   1HD   LYS  19          2HD       LYS  19  -5.869   7.171   1.076
  178   2HD   LYS  19          1HD       LYS  19  -7.173   7.830   0.086
  179   1HE   LYS  19          2HE       LYS  19  -5.825   9.721   0.656
  180   2HE   LYS  19          1HE       LYS  19  -7.197   9.800   1.780
  181   1HZ   LYS  19          1HZ       LYS  19  -5.034   9.979   2.922
  182   2HZ   LYS  19          2HZ       LYS  19  -4.621   8.434   2.351
  183   3HZ   LYS  19          3HZ       LYS  19  -5.923   8.625   3.426
  184    H    PHE  20           H        PHE  20 -10.526   5.385  -0.203
  185    HA   PHE  20           HA       PHE  20 -12.141   7.729  -0.705
  186   1HB   PHE  20          2HB       PHE  20 -10.861   6.210  -2.320
  187   2HB   PHE  20          1HB       PHE  20 -12.184   5.057  -2.130
  188    HD1  PHE  20           HD1      PHE  20 -14.532   5.761  -2.722
  189    HD2  PHE  20           HD2      PHE  20 -11.089   8.132  -3.701
  190    HE1  PHE  20           HE1      PHE  20 -15.874   7.020  -4.385
  191    HE2  PHE  20           HE2      PHE  20 -12.430   9.393  -5.365
  192    HZ   PHE  20           HZ       PHE  20 -14.822   8.837  -5.707
  193   1HN   NH2  21          1HN       NH2  21 -13.099   4.255  -0.344
  194   2HN   NH2  21          2HN       NH2  21 -14.664   4.585   0.225
  Start of MODEL   15
    1   1H    LYS   1          1H        LYS   1  12.190 -19.123  -9.279
    2   2H    LYS   1          2H        LYS   1  13.844 -19.204  -9.662
    3   3H    LYS   1          3H        LYS   1  13.032 -17.712  -9.697
    4    HA   LYS   1           HA       LYS   1  13.000 -19.168  -7.159
    5   1HB   LYS   1          2HB       LYS   1  15.311 -18.233  -6.728
    6   2HB   LYS   1          1HB       LYS   1  15.273 -19.522  -7.930
    7   1HG   LYS   1          2HG       LYS   1  16.503 -18.001  -9.134
    8   2HG   LYS   1          1HG       LYS   1  14.896 -17.413  -9.564
    9   1HD   LYS   1          2HD       LYS   1  15.419 -15.428  -8.644
   10   2HD   LYS   1          1HD       LYS   1  15.546 -16.225  -7.075
   11   1HE   LYS   1          2HE       LYS   1  17.787 -15.916  -7.081
   12   2HE   LYS   1          1HE       LYS   1  17.919 -16.793  -8.619
   13   1HZ   LYS   1          1HZ       LYS   1  18.624 -14.453  -8.811
   14   2HZ   LYS   1          2HZ       LYS   1  17.064 -13.957  -8.355
   15   3HZ   LYS   1          3HZ       LYS   1  17.297 -14.810  -9.805
   16    H    ALA   2           H        ALA   2  13.596 -17.326  -5.466
   17    HA   ALA   2           HA       ALA   2  12.842 -15.287  -4.520
   18   1HB   ALA   2          1HB       ALA   2  13.312 -13.365  -6.194
   19   2HB   ALA   2          2HB       ALA   2  13.848 -14.635  -7.294
   20   3HB   ALA   2          3HB       ALA   2  14.671 -14.399  -5.752
   21    H    LYS   3           H        LYS   3  10.566 -16.021  -4.463
   22    HA   LYS   3           HA       LYS   3   8.875 -14.524  -6.427
   23   1HB   LYS   3          2HB       LYS   3   7.382 -16.760  -5.849
   24   2HB   LYS   3          1HB       LYS   3   8.394 -16.587  -7.280
   25   1HG   LYS   3          2HG       LYS   3   8.933 -18.698  -6.217
   26   2HG   LYS   3          1HG       LYS   3  10.293 -17.603  -5.980
   27   1HD   LYS   3          2HD       LYS   3  10.063 -18.320  -3.807
   28   2HD   LYS   3          1HD       LYS   3   8.893 -17.000  -3.765
   29   1HE   LYS   3          2HE       LYS   3   7.055 -18.549  -4.201
   30   2HE   LYS   3          1HE       LYS   3   8.196 -19.894  -4.388
   31   1HZ   LYS   3          1HZ       LYS   3   9.016 -19.398  -2.129
   32   2HZ   LYS   3          2HZ       LYS   3   7.388 -19.883  -2.142
   33   3HZ   LYS   3          3HZ       LYS   3   7.787 -18.243  -1.952
   34    H    LEU   4           H        LEU   4   9.091 -13.111  -4.320
   35    HA   LEU   4           HA       LEU   4   6.800 -13.841  -2.539
   36   1HB   LEU   4          2HB       LEU   4   8.188 -12.740  -0.707
   37   2HB   LEU   4          1HB       LEU   4   8.822 -14.269  -1.310
   38    HG   LEU   4           HG       LEU   4  10.230 -12.857  -2.933
   39   1HD1  LEU   4          1HD1      LEU   4   9.817 -10.642  -2.932
   40   2HD1  LEU   4          2HD1      LEU   4  10.484 -10.575  -1.300
   41   3HD1  LEU   4          3HD1      LEU   4   8.750 -10.801  -1.536
   42   1HD2  LEU   4          1HD2      LEU   4  11.924 -13.181  -1.464
   43   2HD2  LEU   4          2HD2      LEU   4  10.686 -13.770  -0.354
   44   3HD2  LEU   4          3HD2      LEU   4  11.207 -12.087  -0.282
   45    H    PHE   5           H        PHE   5   8.161 -11.590  -4.647
   46    HA   PHE   5           HA       PHE   5   6.697  -9.284  -3.439
   47   1HB   PHE   5          2HB       PHE   5   9.130  -9.119  -4.059
   48   2HB   PHE   5          1HB       PHE   5   8.676  -9.409  -5.739
   49    HD1  PHE   5           HD1      PHE   5   8.254  -7.572  -7.105
   50    HD2  PHE   5           HD2      PHE   5   7.733  -7.193  -2.860
   51    HE1  PHE   5           HE1      PHE   5   7.719  -5.166  -7.387
   52    HE2  PHE   5           HE2      PHE   5   7.201  -4.786  -3.139
   53    HZ   PHE   5           HZ       PHE   5   7.192  -3.773  -5.402
   54    H    LYS   6           H        LYS   6   4.539  -9.995  -4.153
   55    HA   LYS   6           HA       LYS   6   4.027  -9.329  -7.003
   56   1HB   LYS   6          2HB       LYS   6   4.453 -11.923  -6.264
   57   2HB   LYS   6          1HB       LYS   6   2.707 -11.799  -6.051
   58   1HG   LYS   6          2HG       LYS   6   3.043 -12.468  -8.322
   59   2HG   LYS   6          1HG       LYS   6   2.626 -10.754  -8.375
   60   1HD   LYS   6          2HD       LYS   6   4.524 -11.073  -9.829
   61   2HD   LYS   6          1HD       LYS   6   5.104 -10.246  -8.382
   62   1HE   LYS   6          2HE       LYS   6   6.639 -12.084  -8.958
   63   2HE   LYS   6          1HE       LYS   6   5.794 -12.476  -7.447
   64   1HZ   LYS   6          1HZ       LYS   6   4.702 -13.242 -10.088
   65   2HZ   LYS   6          2HZ       LYS   6   4.287 -13.852  -8.557
   66   3HZ   LYS   6          3HZ       LYS   6   5.784 -14.248  -9.255
   67    H    LYS   7           H        LYS   7   3.275  -7.755  -4.854
   68    HA   LYS   7           HA       LYS   7   0.322  -8.257  -4.721
   69   1HB   LYS   7          2HB       LYS   7   2.368  -7.963  -2.629
   70   2HB   LYS   7          1HB       LYS   7   0.967  -6.916  -2.393
   71   1HG   LYS   7          2HG       LYS   7   0.156  -9.580  -3.229
   72   2HG   LYS   7          1HG       LYS   7   1.130  -9.640  -1.758
   73   1HD   LYS   7          2HD       LYS   7  -0.932  -7.506  -1.872
   74   2HD   LYS   7          1HD       LYS   7  -1.530  -9.160  -1.727
   75   1HE   LYS   7          2HE       LYS   7   0.576  -9.100   0.086
   76   2HE   LYS   7          1HE       LYS   7  -0.181  -7.506   0.277
   77   1HZ   LYS   7          1HZ       LYS   7  -2.367  -8.757   0.205
   78   2HZ   LYS   7          2HZ       LYS   7  -1.445  -8.933   1.621
   79   3HZ   LYS   7          3HZ       LYS   7  -1.462 -10.170   0.455
   80    H    ILE   8           H        ILE   8  -0.177  -6.696  -6.300
   81    HA   ILE   8           HA       ILE   8   0.541  -3.867  -5.608
   82    HB   ILE   8           HB       ILE   8   0.029  -4.938  -8.386
   83   1HG1  ILE   8          2HG1      ILE   8   2.622  -4.943  -6.817
   84   2HG1  ILE   8          1HG1      ILE   8   1.820  -6.325  -7.560
   85   1HG2  ILE   8          1HG2      ILE   8   0.567  -2.841  -9.020
   86   2HG2  ILE   8          2HG2      ILE   8   2.027  -2.850  -8.030
   87   3HG2  ILE   8          3HG2      ILE   8   0.479  -2.389  -7.318
   88   1HD1  ILE   8          1HD1      ILE   8   2.763  -3.957  -9.186
   89   2HD1  ILE   8          2HD1      ILE   8   2.308  -5.561  -9.762
   90   3HD1  ILE   8          3HD1      ILE   8   3.804  -5.342  -8.853
   91    H    GLY   9           H        GLY   9  -1.857  -6.116  -6.937
   92   1HA   GLY   9          2HA       GLY   9  -3.879  -3.964  -7.086
   93   2HA   GLY   9          1HA       GLY   9  -4.105  -5.624  -7.635
   94    H    ILE  10           H        ILE  10  -2.749  -6.295  -4.902
   95    HA   ILE  10           HA       ILE  10  -5.288  -6.175  -3.321
   96    HB   ILE  10           HB       ILE  10  -3.026  -8.135  -2.934
   97   1HG1  ILE  10          2HG1      ILE  10  -5.315  -8.412  -4.908
   98   2HG1  ILE  10          1HG1      ILE  10  -3.627  -8.158  -5.345
   99   1HG2  ILE  10          1HG2      ILE  10  -4.788  -9.550  -2.058
  100   2HG2  ILE  10          2HG2      ILE  10  -6.026  -8.413  -2.593
  101   3HG2  ILE  10          3HG2      ILE  10  -4.919  -7.967  -1.292
  102   1HD1  ILE  10          1HD1      ILE  10  -3.077 -10.324  -4.948
  103   2HD1  ILE  10          2HD1      ILE  10  -4.812 -10.624  -5.039
  104   3HD1  ILE  10          3HD1      ILE  10  -4.040 -10.389  -3.472
  105    H    GLY  11           H        GLY  11  -2.117  -5.033  -3.490
  106   1HA   GLY  11          2HA       GLY  11  -1.641  -4.882  -0.601
  107   2HA   GLY  11          1HA       GLY  11  -0.604  -4.217  -1.851
  108    H    LYS  12           H        LYS  12  -1.176  -2.198  -2.776
  109    HA   LYS  12           HA       LYS  12  -2.103  -0.214  -0.956
  110   1HB   LYS  12          2HB       LYS  12  -0.567   0.094  -2.889
  111   2HB   LYS  12          1HB       LYS  12  -1.924  -0.178  -3.985
  112   1HG   LYS  12          2HG       LYS  12  -2.095   2.097  -3.884
  113   2HG   LYS  12          1HG       LYS  12  -2.982   1.746  -2.402
  114   1HD   LYS  12          2HD       LYS  12  -1.186   2.308  -1.031
  115   2HD   LYS  12          1HD       LYS  12   0.005   1.998  -2.295
  116   1HE   LYS  12          2HE       LYS  12  -2.001   4.262  -2.496
  117   2HE   LYS  12          1HE       LYS  12  -0.396   4.468  -1.768
  118   1HZ   LYS  12          1HZ       LYS  12  -1.054   4.360  -4.497
  119   2HZ   LYS  12          2HZ       LYS  12  -0.097   3.003  -4.134
  120   3HZ   LYS  12          3HZ       LYS  12   0.475   4.566  -3.795
  121    H    PHE  13           H        PHE  13  -3.893  -2.458  -2.799
  122    HA   PHE  13           HA       PHE  13  -6.179  -0.990  -3.583
  123   1HB   PHE  13          2HB       PHE  13  -5.284  -3.491  -3.818
  124   2HB   PHE  13          1HB       PHE  13  -6.374  -3.743  -2.461
  125    HD1  PHE  13           HD1      PHE  13  -8.367  -4.698  -3.214
  126    HD2  PHE  13           HD2      PHE  13  -6.546  -1.549  -5.501
  127    HE1  PHE  13           HE1      PHE  13 -10.298  -4.710  -4.771
  128    HE2  PHE  13           HE2      PHE  13  -8.477  -1.561  -7.057
  129    HZ   PHE  13           HZ       PHE  13 -10.353  -3.143  -6.691
  130    H    LEU  14           H        LEU  14  -5.388  -2.619  -0.574
  131    HA   LEU  14           HA       LEU  14  -7.824  -2.068   0.830
  132   1HB   LEU  14          2HB       LEU  14  -6.527  -2.760   2.768
  133   2HB   LEU  14          1HB       LEU  14  -6.027  -3.746   1.394
  134    HG   LEU  14           HG       LEU  14  -4.332  -1.629   1.135
  135   1HD1  LEU  14          1HD1      LEU  14  -4.244  -0.427   3.035
  136   2HD1  LEU  14          2HD1      LEU  14  -3.684  -1.871   3.878
  137   3HD1  LEU  14          3HD1      LEU  14  -5.407  -1.500   3.811
  138   1HD2  LEU  14          1HD2      LEU  14  -2.690  -3.181   1.623
  139   2HD2  LEU  14          2HD2      LEU  14  -4.067  -4.271   1.448
  140   3HD2  LEU  14          3HD2      LEU  14  -3.531  -3.776   3.054
  141    H    HIS  15           H        HIS  15  -5.061  -0.130   0.101
  142    HA   HIS  15           HA       HIS  15  -5.329   1.844   2.193
  143   1HB   HIS  15          2HB       HIS  15  -3.298   1.435   0.837
  144   2HB   HIS  15          1HB       HIS  15  -4.146   1.978  -0.599
  145    HD1  HIS  15           HD1      HIS  15  -4.361   4.474  -0.980
  146    HD2  HIS  15           HD2      HIS  15  -2.846   3.544   2.787
  147    HE1  HIS  15           HE1      HIS  15  -3.606   6.663   0.044
  148    H    SER  16           H        SER  16  -5.809   2.396  -1.285
  149    HA   SER  16           HA       SER  16  -7.528   4.646  -0.955
  150   1HB   SER  16          2HB       SER  16  -6.173   3.631  -2.985
  151   2HB   SER  16          1HB       SER  16  -7.687   2.794  -3.317
  152    HG   SER  16           HG       SER  16  -7.041   5.490  -3.478
  153    H    ALA  17           H        ALA  17  -8.103   1.304  -0.587
  154    HA   ALA  17           HA       ALA  17 -10.935   1.250  -1.231
  155   1HB   ALA  17          1HB       ALA  17  -8.932  -0.484   0.199
  156   2HB   ALA  17          2HB       ALA  17  -9.854  -0.831  -1.264
  157   3HB   ALA  17          3HB       ALA  17 -10.649  -0.877   0.310
  158    H    LYS  18           H        LYS  18  -9.090   1.422   1.831
  159    HA   LYS  18           HA       LYS  18 -11.510   1.867   3.419
  160   1HB   LYS  18          2HB       LYS  18  -9.313   0.681   4.061
  161   2HB   LYS  18          1HB       LYS  18  -8.626   2.299   4.224
  162   1HG   LYS  18          2HG       LYS  18 -10.087   2.872   5.988
  163   2HG   LYS  18          1HG       LYS  18 -11.200   1.556   5.609
  164   1HD   LYS  18          2HD       LYS  18  -9.566  -0.096   6.346
  165   2HD   LYS  18          1HD       LYS  18  -8.369   1.170   6.625
  166   1HE   LYS  18          2HE       LYS  18 -10.770   1.887   8.029
  167   2HE   LYS  18          1HE       LYS  18 -10.333   0.221   8.459
  168   1HZ   LYS  18          1HZ       LYS  18  -8.051   0.954   8.812
  169   2HZ   LYS  18          2HZ       LYS  18  -9.117   1.799   9.829
  170   3HZ   LYS  18          3HZ       LYS  18  -8.488   2.551   8.442
  171    H    LYS  19           H        LYS  19  -9.758   3.811   1.362
  172    HA   LYS  19           HA       LYS  19  -9.737   6.281   2.949
  173   1HB   LYS  19          2HB       LYS  19  -8.500   5.240   0.657
  174   2HB   LYS  19          1HB       LYS  19  -9.530   6.537   0.051
  175   1HG   LYS  19          2HG       LYS  19  -7.738   6.941   2.444
  176   2HG   LYS  19          1HG       LYS  19  -7.146   7.179   0.799
  177   1HD   LYS  19          2HD       LYS  19  -7.943   9.292   1.029
  178   2HD   LYS  19          1HD       LYS  19  -9.521   8.559   0.740
  179   1HE   LYS  19          2HE       LYS  19  -9.587   9.939   2.786
  180   2HE   LYS  19          1HE       LYS  19  -9.778   8.226   3.210
  181   1HZ   LYS  19          1HZ       LYS  19  -7.082   8.558   3.089
  182   2HZ   LYS  19          2HZ       LYS  19  -8.006   8.529   4.514
  183   3HZ   LYS  19          3HZ       LYS  19  -7.601  10.012   3.793
  184    H    PHE  20           H        PHE  20 -11.283   5.538  -0.187
  185    HA   PHE  20           HA       PHE  20 -13.584   7.275   0.642
  186   1HB   PHE  20          2HB       PHE  20 -12.112   7.973  -1.267
  187   2HB   PHE  20          1HB       PHE  20 -12.570   6.495  -2.111
  188    HD1  PHE  20           HD1      PHE  20 -14.766   8.598   0.040
  189    HD2  PHE  20           HD2      PHE  20 -13.786   7.377  -3.960
  190    HE1  PHE  20           HE1      PHE  20 -16.815   9.713  -0.803
  191    HE2  PHE  20           HE2      PHE  20 -15.835   8.490  -4.802
  192    HZ   PHE  20           HZ       PHE  20 -17.349   9.658  -3.223
  193   1HN   NH2  21          1HN       NH2  21 -15.713   6.384   0.431
  194   2HN   NH2  21          2HN       NH2  21 -16.013   4.774  -0.014
  Start of MODEL   16
    1   1H    LYS   1          1H        LYS   1   1.476  -3.829  17.792
    2   2H    LYS   1          2H        LYS   1   0.162  -4.443  18.676
    3   3H    LYS   1          3H        LYS   1   1.001  -3.076  19.236
    4    HA   LYS   1           HA       LYS   1  -1.258  -2.739  18.037
    5   1HB   LYS   1          2HB       LYS   1  -0.367  -0.571  17.349
    6   2HB   LYS   1          1HB       LYS   1   0.446  -1.072  18.834
    7   1HG   LYS   1          2HG       LYS   1   2.102  -2.203  17.028
    8   2HG   LYS   1          1HG       LYS   1   1.523  -0.840  16.070
    9   1HD   LYS   1          2HD       LYS   1   3.078   0.397  17.143
   10   2HD   LYS   1          1HD       LYS   1   2.025   0.292  18.555
   11   1HE   LYS   1          2HE       LYS   1   3.215  -1.620  19.411
   12   2HE   LYS   1          1HE       LYS   1   4.131  -1.795  17.900
   13   1HZ   LYS   1          1HZ       LYS   1   5.593  -0.539  19.102
   14   2HZ   LYS   1          2HZ       LYS   1   4.378   0.242  19.997
   15   3HZ   LYS   1          3HZ       LYS   1   4.683   0.705  18.391
   16    H    ALA   2           H        ALA   2  -2.215  -3.508  16.190
   17    HA   ALA   2           HA       ALA   2  -0.696  -4.605  13.973
   18   1HB   ALA   2          1HB       ALA   2  -3.594  -3.976  14.550
   19   2HB   ALA   2          2HB       ALA   2  -2.813  -5.556  14.489
   20   3HB   ALA   2          3HB       ALA   2  -3.091  -4.651  13.001
   21    H    LYS   3           H        LYS   3   0.600  -2.816  13.190
   22    HA   LYS   3           HA       LYS   3  -0.957  -0.888  11.518
   23   1HB   LYS   3          2HB       LYS   3  -0.405   0.336  13.504
   24   2HB   LYS   3          1HB       LYS   3   1.229  -0.329  13.539
   25   1HG   LYS   3          2HG       LYS   3   1.923   0.963  11.687
   26   2HG   LYS   3          1HG       LYS   3   0.263   1.308  11.196
   27   1HD   LYS   3          2HD       LYS   3   0.166   3.124  12.527
   28   2HD   LYS   3          1HD       LYS   3   0.762   2.211  13.914
   29   1HE   LYS   3          2HE       LYS   3   3.072   2.532  13.200
   30   2HE   LYS   3          1HE       LYS   3   2.532   3.323  11.706
   31   1HZ   LYS   3          1HZ       LYS   3   1.630   4.278  14.353
   32   2HZ   LYS   3          2HZ       LYS   3   1.650   5.113  12.873
   33   3HZ   LYS   3          3HZ       LYS   3   3.103   4.808  13.699
   34    H    LEU   4           H        LEU   4   0.374  -0.005   9.727
   35    HA   LEU   4           HA       LEU   4   3.058  -0.928   9.195
   36   1HB   LEU   4          2HB       LEU   4   2.529  -2.678   7.586
   37   2HB   LEU   4          1HB       LEU   4   1.705  -3.050   9.103
   38    HG   LEU   4           HG       LEU   4  -0.045  -1.371   7.653
   39   1HD1  LEU   4          1HD1      LEU   4  -0.026  -3.468   5.769
   40   2HD1  LEU   4          2HD1      LEU   4   1.645  -2.918   5.890
   41   3HD1  LEU   4          3HD1      LEU   4   0.368  -1.774   5.479
   42   1HD2  LEU   4          1HD2      LEU   4  -1.509  -3.294   7.752
   43   2HD2  LEU   4          2HD2      LEU   4  -0.548  -3.277   9.229
   44   3HD2  LEU   4          3HD2      LEU   4  -0.137  -4.389   7.925
   45    H    PHE   5           H        PHE   5   2.309   1.599   8.840
   46    HA   PHE   5           HA       PHE   5   1.098   2.132   6.234
   47   1HB   PHE   5          2HB       PHE   5   1.156   3.556   8.412
   48   2HB   PHE   5          1HB       PHE   5   2.762   4.045   7.869
   49    HD1  PHE   5           HD1      PHE   5   3.066   5.347   5.814
   50    HD2  PHE   5           HD2      PHE   5  -0.844   4.195   7.171
   51    HE1  PHE   5           HE1      PHE   5   2.043   6.960   4.234
   52    HE2  PHE   5           HE2      PHE   5  -1.867   5.811   5.592
   53    HZ   PHE   5           HZ       PHE   5  -0.424   7.193   4.124
   54    H    LYS   6           H        LYS   6   3.127   0.385   5.682
   55    HA   LYS   6           HA       LYS   6   5.005   2.085   4.138
   56   1HB   LYS   6          2HB       LYS   6   6.881   0.583   5.057
   57   2HB   LYS   6          1HB       LYS   6   6.217   1.777   6.172
   58   1HG   LYS   6          2HG       LYS   6   4.618  -0.064   6.961
   59   2HG   LYS   6          1HG       LYS   6   5.641  -1.190   6.071
   60   1HD   LYS   6          2HD       LYS   6   7.466  -0.861   7.478
   61   2HD   LYS   6          1HD       LYS   6   6.916   0.736   7.985
   62   1HE   LYS   6          2HE       LYS   6   4.952  -0.452   9.131
   63   2HE   LYS   6          1HE       LYS   6   5.853  -1.959   8.867
   64   1HZ   LYS   6          1HZ       LYS   6   6.583  -1.150  10.939
   65   2HZ   LYS   6          2HZ       LYS   6   6.722   0.445  10.369
   66   3HZ   LYS   6          3HZ       LYS   6   7.816  -0.745   9.847
   67    H    LYS   7           H        LYS   7   2.791   0.362   3.367
   68    HA   LYS   7           HA       LYS   7   4.306  -1.697   1.798
   69   1HB   LYS   7          2HB       LYS   7   2.326  -2.025   3.832
   70   2HB   LYS   7          1HB       LYS   7   1.594  -2.495   2.298
   71   1HG   LYS   7          2HG       LYS   7   3.850  -3.789   1.933
   72   2HG   LYS   7          1HG       LYS   7   3.987  -3.666   3.688
   73   1HD   LYS   7          2HD       LYS   7   1.457  -4.500   3.586
   74   2HD   LYS   7          1HD       LYS   7   1.990  -5.167   2.043
   75   1HE   LYS   7          2HE       LYS   7   3.233  -5.699   4.765
   76   2HE   LYS   7          1HE       LYS   7   2.369  -6.864   3.741
   77   1HZ   LYS   7          1HZ       LYS   7   4.025  -6.273   1.962
   78   2HZ   LYS   7          2HZ       LYS   7   4.651  -7.158   3.271
   79   3HZ   LYS   7          3HZ       LYS   7   4.929  -5.486   3.161
   80    H    ILE   8           H        ILE   8   3.817  -1.651  -0.385
   81    HA   ILE   8           HA       ILE   8   1.441  -0.026  -1.235
   82    HB   ILE   8           HB       ILE   8   4.093  -0.224  -2.679
   83   1HG1  ILE   8          2HG1      ILE   8   3.217   1.612  -0.442
   84   2HG1  ILE   8          1HG1      ILE   8   4.715   0.692  -0.576
   85   1HG2  ILE   8          1HG2      ILE   8   3.199   1.297  -4.116
   86   2HG2  ILE   8          2HG2      ILE   8   2.445   2.216  -2.812
   87   3HG2  ILE   8          3HG2      ILE   8   1.648   0.779  -3.454
   88   1HD1  ILE   8          1HD1      ILE   8   5.089   3.094  -1.040
   89   2HD1  ILE   8          2HD1      ILE   8   3.924   3.012  -2.361
   90   3HD1  ILE   8          3HD1      ILE   8   5.431   2.104  -2.459
   91    H    GLY   9           H        GLY   9   3.676  -2.678  -2.044
   92   1HA   GLY   9          2HA       GLY   9   2.642  -3.602  -4.443
   93   2HA   GLY   9          1HA       GLY   9   3.195  -4.692  -3.178
   94    H    ILE  10           H        ILE  10   1.627  -5.207  -1.494
   95    HA   ILE  10           HA       ILE  10  -1.087  -5.600  -2.633
   96    HB   ILE  10           HB       ILE  10   0.174  -6.676  -0.100
   97   1HG1  ILE  10          2HG1      ILE  10   1.467  -7.085  -2.303
   98   2HG1  ILE  10          1HG1      ILE  10   1.058  -8.496  -1.335
   99   1HG2  ILE  10          1HG2      ILE  10  -2.251  -6.961  -0.233
  100   2HG2  ILE  10          2HG2      ILE  10  -1.461  -8.521  -0.462
  101   3HG2  ILE  10          3HG2      ILE  10  -2.106  -7.646  -1.852
  102   1HD1  ILE  10          1HD1      ILE  10   0.525  -8.324  -3.981
  103   2HD1  ILE  10          2HD1      ILE  10  -0.971  -7.655  -3.332
  104   3HD1  ILE  10          3HD1      ILE  10  -0.457  -9.276  -2.866
  105    H    GLY  11           H        GLY  11   0.481  -3.402  -0.654
  106   1HA   GLY  11          2HA       GLY  11  -1.772  -3.006   1.216
  107   2HA   GLY  11          1HA       GLY  11  -0.239  -2.138   1.247
  108    H    LYS  12           H        LYS  12  -1.424  -2.256  -1.898
  109    HA   LYS  12           HA       LYS  12  -2.078   0.609  -1.839
  110   1HB   LYS  12          2HB       LYS  12  -0.740  -0.665  -3.596
  111   2HB   LYS  12          1HB       LYS  12  -2.265  -1.375  -4.119
  112   1HG   LYS  12          2HG       LYS  12  -2.576   1.470  -3.836
  113   2HG   LYS  12          1HG       LYS  12  -1.187   1.128  -4.870
  114   1HD   LYS  12          2HD       LYS  12  -2.469   0.042  -6.469
  115   2HD   LYS  12          1HD       LYS  12  -3.713  -0.420  -5.307
  116   1HE   LYS  12          2HE       LYS  12  -4.643   1.327  -6.716
  117   2HE   LYS  12          1HE       LYS  12  -4.308   2.053  -5.133
  118   1HZ   LYS  12          1HZ       LYS  12  -2.012   2.039  -6.849
  119   2HZ   LYS  12          2HZ       LYS  12  -2.705   3.326  -5.982
  120   3HZ   LYS  12          3HZ       LYS  12  -3.300   2.915  -7.519
  121    H    PHE  13           H        PHE  13  -3.794  -2.301  -3.050
  122    HA   PHE  13           HA       PHE  13  -6.300  -1.248  -3.578
  123   1HB   PHE  13          2HB       PHE  13  -5.492  -3.606  -3.851
  124   2HB   PHE  13          1HB       PHE  13  -5.719  -3.833  -2.121
  125    HD1  PHE  13           HD1      PHE  13  -7.623  -5.086  -1.672
  126    HD2  PHE  13           HD2      PHE  13  -7.742  -2.149  -4.806
  127    HE1  PHE  13           HE1      PHE  13 -10.029  -5.566  -2.030
  128    HE2  PHE  13           HE2      PHE  13 -10.148  -2.632  -5.166
  129    HZ   PHE  13           HZ       PHE  13 -11.291  -4.341  -3.778
  130    H    LEU  14           H        LEU  14  -5.601  -2.865  -0.539
  131    HA   LEU  14           HA       LEU  14  -7.826  -2.023   0.936
  132   1HB   LEU  14          2HB       LEU  14  -4.969  -2.499   1.836
  133   2HB   LEU  14          1HB       LEU  14  -6.376  -2.518   2.898
  134    HG   LEU  14           HG       LEU  14  -6.827  -4.220   0.601
  135   1HD1  LEU  14          1HD1      LEU  14  -5.128  -5.937   1.151
  136   2HD1  LEU  14          2HD1      LEU  14  -4.394  -4.829   2.309
  137   3HD1  LEU  14          3HD1      LEU  14  -4.376  -4.444   0.588
  138   1HD2  LEU  14          1HD2      LEU  14  -6.741  -5.833   2.809
  139   2HD2  LEU  14          2HD2      LEU  14  -8.141  -4.864   2.353
  140   3HD2  LEU  14          3HD2      LEU  14  -7.001  -4.255   3.554
  141    H    HIS  15           H        HIS  15  -5.065  -0.211  -0.039
  142    HA   HIS  15           HA       HIS  15  -5.129   1.871   1.944
  143   1HB   HIS  15          2HB       HIS  15  -3.462   1.102  -0.009
  144   2HB   HIS  15          1HB       HIS  15  -4.312   2.364  -0.885
  145    HD1  HIS  15           HD1      HIS  15  -4.032   4.814  -0.037
  146    HD2  HIS  15           HD2      HIS  15  -1.836   2.016   2.136
  147    HE1  HIS  15           HE1      HIS  15  -2.406   6.131   1.389
  148    H    SER  16           H        SER  16  -6.035   2.223  -1.504
  149    HA   SER  16           HA       SER  16  -7.769   4.475  -0.983
  150   1HB   SER  16          2HB       SER  16  -6.670   4.230  -3.110
  151   2HB   SER  16          1HB       SER  16  -7.305   2.601  -3.316
  152    HG   SER  16           HG       SER  16  -9.224   4.528  -2.897
  153    H    ALA  17           H        ALA  17  -8.178   1.196  -0.408
  154    HA   ALA  17           HA       ALA  17 -10.920   0.799  -1.205
  155   1HB   ALA  17          1HB       ALA  17  -9.249  -0.479   0.981
  156   2HB   ALA  17          2HB       ALA  17  -9.259  -0.977  -0.711
  157   3HB   ALA  17          3HB       ALA  17 -10.711  -1.163   0.272
  158    H    LYS  18           H        LYS  18  -9.481   1.447   2.029
  159    HA   LYS  18           HA       LYS  18 -12.183   2.259   2.990
  160   1HB   LYS  18          2HB       LYS  18  -9.568   1.431   4.239
  161   2HB   LYS  18          1HB       LYS  18 -10.814   2.216   5.209
  162   1HG   LYS  18          2HG       LYS  18 -12.362   0.473   4.857
  163   2HG   LYS  18          1HG       LYS  18 -11.474  -0.153   3.467
  164   1HD   LYS  18          2HD       LYS  18 -10.407  -1.578   4.839
  165   2HD   LYS  18          1HD       LYS  18  -9.669  -0.194   5.646
  166   1HE   LYS  18          2HE       LYS  18 -11.572  -0.031   7.188
  167   2HE   LYS  18          1HE       LYS  18 -12.384  -1.370   6.350
  168   1HZ   LYS  18          1HZ       LYS  18 -10.538  -2.806   6.850
  169   2HZ   LYS  18          2HZ       LYS  18 -11.098  -2.119   8.299
  170   3HZ   LYS  18          3HZ       LYS  18  -9.679  -1.534   7.571
  171    H    LYS  19           H        LYS  19  -9.473   3.712   1.668
  172    HA   LYS  19           HA       LYS  19  -9.467   6.114   3.383
  173   1HB   LYS  19          2HB       LYS  19  -7.988   5.052   1.002
  174   2HB   LYS  19          1HB       LYS  19  -7.904   6.779   1.345
  175   1HG   LYS  19          2HG       LYS  19  -7.545   5.084   3.720
  176   2HG   LYS  19          1HG       LYS  19  -6.286   4.877   2.502
  177   1HD   LYS  19          2HD       LYS  19  -6.509   7.584   2.505
  178   2HD   LYS  19          1HD       LYS  19  -6.918   7.235   4.184
  179   1HE   LYS  19          2HE       LYS  19  -4.535   5.845   3.010
  180   2HE   LYS  19          1HE       LYS  19  -4.377   7.553   3.464
  181   1HZ   LYS  19          1HZ       LYS  19  -5.840   5.979   5.379
  182   2HZ   LYS  19          2HZ       LYS  19  -4.567   7.077   5.626
  183   3HZ   LYS  19          3HZ       LYS  19  -4.233   5.469   5.193
  184    H    PHE  20           H        PHE  20 -10.193   5.405  -0.055
  185    HA   PHE  20           HA       PHE  20 -11.792   7.928  -0.175
  186   1HB   PHE  20          2HB       PHE  20  -9.740   7.112  -1.685
  187   2HB   PHE  20          1HB       PHE  20 -11.032   6.281  -2.549
  188    HD1  PHE  20           HD1      PHE  20 -13.193   7.782  -3.000
  189    HD2  PHE  20           HD2      PHE  20  -9.243   9.302  -2.282
  190    HE1  PHE  20           HE1      PHE  20 -13.812   9.911  -4.110
  191    HE2  PHE  20           HE2      PHE  20  -9.859  11.432  -3.392
  192    HZ   PHE  20           HZ       PHE  20 -12.146  11.737  -4.307
  193   1HN   NH2  21          1HN       NH2  21 -12.121   4.476  -0.097
  194   2HN   NH2  21          2HN       NH2  21 -13.731   4.391  -0.628
  Start of MODEL   17
    1   1H    LYS   1          1H        LYS   1   3.031 -12.866  16.914
    2   2H    LYS   1          2H        LYS   1   3.369 -14.462  17.391
    3   3H    LYS   1          3H        LYS   1   4.499 -13.228  17.684
    4    HA   LYS   1           HA       LYS   1   2.829 -14.096  19.556
    5   1HB   LYS   1          2HB       LYS   1   3.983 -11.371  18.921
    6   2HB   LYS   1          1HB       LYS   1   3.249 -11.734  20.484
    7   1HG   LYS   1          2HG       LYS   1   4.817 -13.739  20.612
    8   2HG   LYS   1          1HG       LYS   1   5.663 -13.049  19.226
    9   1HD   LYS   1          2HD       LYS   1   6.873 -12.059  20.924
   10   2HD   LYS   1          1HD       LYS   1   5.595 -10.856  20.746
   11   1HE   LYS   1          2HE       LYS   1   4.397 -11.696  22.636
   12   2HE   LYS   1          1HE       LYS   1   5.370 -13.179  22.681
   13   1HZ   LYS   1          1HZ       LYS   1   6.654 -12.042  24.105
   14   2HZ   LYS   1          2HZ       LYS   1   6.013 -10.535  23.652
   15   3HZ   LYS   1          3HZ       LYS   1   7.249 -11.248  22.730
   16    H    ALA   2           H        ALA   2   0.689 -14.440  18.422
   17    HA   ALA   2           HA       ALA   2  -1.579 -13.822  18.149
   18   1HB   ALA   2          1HB       ALA   2  -1.078 -11.208  19.481
   19   2HB   ALA   2          2HB       ALA   2  -0.654 -12.647  20.408
   20   3HB   ALA   2          3HB       ALA   2  -2.305 -12.426  19.828
   21    H    LYS   3           H        LYS   3  -0.259 -13.421  15.876
   22    HA   LYS   3           HA       LYS   3  -1.407 -10.916  14.809
   23   1HB   LYS   3          2HB       LYS   3   0.981 -10.615  15.837
   24   2HB   LYS   3          1HB       LYS   3   1.526 -11.467  14.390
   25   1HG   LYS   3          2HG       LYS   3   1.492  -9.455  13.361
   26   2HG   LYS   3          1HG       LYS   3  -0.267  -9.587  13.398
   27   1HD   LYS   3          2HD       LYS   3   0.455  -7.453  14.391
   28   2HD   LYS   3          1HD       LYS   3  -0.294  -8.482  15.614
   29   1HE   LYS   3          2HE       LYS   3   2.573  -8.998  15.404
   30   2HE   LYS   3          1HE       LYS   3   2.231  -7.304  15.812
   31   1HZ   LYS   3          1HZ       LYS   3   0.550  -9.280  17.112
   32   2HZ   LYS   3          2HZ       LYS   3   1.244  -7.864  17.742
   33   3HZ   LYS   3          3HZ       LYS   3   2.172  -9.281  17.606
   34    H    LEU   4           H        LEU   4  -2.002 -11.227  12.667
   35    HA   LEU   4           HA       LEU   4  -0.769 -13.496  11.162
   36   1HB   LEU   4          2HB       LEU   4  -3.697 -12.955  11.728
   37   2HB   LEU   4          1HB       LEU   4  -3.154 -14.073  10.476
   38    HG   LEU   4           HG       LEU   4  -1.905 -14.437  13.138
   39   1HD1  LEU   4          1HD1      LEU   4  -4.760 -15.327  12.664
   40   2HD1  LEU   4          2HD1      LEU   4  -4.342 -13.900  13.612
   41   3HD1  LEU   4          3HD1      LEU   4  -3.813 -15.496  14.142
   42   1HD2  LEU   4          1HD2      LEU   4  -1.463 -16.433  12.188
   43   2HD2  LEU   4          2HD2      LEU   4  -2.260 -15.863  10.722
   44   3HD2  LEU   4          3HD2      LEU   4  -3.182 -16.737  11.944
   45    H    PHE   5           H        PHE   5  -0.241 -10.721  10.800
   46    HA   PHE   5           HA       PHE   5  -1.927  -9.693   8.631
   47   1HB   PHE   5          2HB       PHE   5   0.285  -8.849  10.375
   48   2HB   PHE   5          1HB       PHE   5   0.402  -8.206   8.736
   49    HD1  PHE   5           HD1      PHE   5  -2.194  -8.774  11.391
   50    HD2  PHE   5           HD2      PHE   5  -0.718  -6.221   8.267
   51    HE1  PHE   5           HE1      PHE   5  -3.954  -7.110  11.920
   52    HE2  PHE   5           HE2      PHE   5  -2.480  -4.558   8.796
   53    HZ   PHE   5           HZ       PHE   5  -4.097  -5.002  10.622
   54    H    LYS   6           H        LYS   6  -1.077  -9.301   6.454
   55    HA   LYS   6           HA       LYS   6   1.437 -10.538   5.616
   56   1HB   LYS   6          2HB       LYS   6  -1.025 -12.040   5.730
   57   2HB   LYS   6          1HB       LYS   6  -0.502 -11.892   4.051
   58   1HG   LYS   6          2HG       LYS   6   1.151 -13.382   4.384
   59   2HG   LYS   6          1HG       LYS   6   1.778 -12.435   5.734
   60   1HD   LYS   6          2HD       LYS   6  -0.148 -13.466   7.110
   61   2HD   LYS   6          1HD       LYS   6  -0.299 -14.626   5.790
   62   1HE   LYS   6          2HE       LYS   6   2.408 -14.117   7.014
   63   2HE   LYS   6          1HE       LYS   6   1.271 -15.228   7.801
   64   1HZ   LYS   6          1HZ       LYS   6   2.720 -16.295   6.093
   65   2HZ   LYS   6          2HZ       LYS   6   1.950 -15.344   4.914
   66   3HZ   LYS   6          3HZ       LYS   6   1.058 -16.480   5.808
   67    H    LYS   7           H        LYS   7   0.526  -7.921   5.316
   68    HA   LYS   7           HA       LYS   7   0.041  -7.782   2.361
   69   1HB   LYS   7          2HB       LYS   7  -1.118  -6.009   4.539
   70   2HB   LYS   7          1HB       LYS   7  -1.455  -5.882   2.813
   71   1HG   LYS   7          2HG       LYS   7  -1.969  -8.443   4.326
   72   2HG   LYS   7          1HG       LYS   7  -3.173  -7.156   4.262
   73   1HD   LYS   7          2HD       LYS   7  -2.629  -7.273   1.654
   74   2HD   LYS   7          1HD       LYS   7  -2.168  -8.923   2.071
   75   1HE   LYS   7          2HE       LYS   7  -4.850  -7.655   2.745
   76   2HE   LYS   7          1HE       LYS   7  -4.564  -8.809   1.427
   77   1HZ   LYS   7          1HZ       LYS   7  -3.483 -10.235   3.225
   78   2HZ   LYS   7          2HZ       LYS   7  -5.180 -10.151   3.214
   79   3HZ   LYS   7          3HZ       LYS   7  -4.289  -9.242   4.338
   80    H    ILE   8           H        ILE   8   1.946  -6.970   1.568
   81    HA   ILE   8           HA       ILE   8   3.210  -4.669   3.018
   82    HB   ILE   8           HB       ILE   8   4.651  -6.739   1.353
   83   1HG1  ILE   8          2HG1      ILE   8   3.920  -6.849   4.294
   84   2HG1  ILE   8          1HG1      ILE   8   3.488  -8.016   3.048
   85   1HG2  ILE   8          1HG2      ILE   8   5.541  -4.978   3.657
   86   2HG2  ILE   8          2HG2      ILE   8   5.800  -4.609   1.952
   87   3HG2  ILE   8          3HG2      ILE   8   6.575  -6.017   2.677
   88   1HD1  ILE   8          1HD1      ILE   8   5.661  -8.869   2.900
   89   2HD1  ILE   8          2HD1      ILE   8   5.516  -8.534   4.625
   90   3HD1  ILE   8          3HD1      ILE   8   6.387  -7.414   3.580
   91    H    GLY   9           H        GLY   9   2.742  -6.290  -0.129
   92   1HA   GLY   9          2HA       GLY   9   3.335  -3.691  -1.462
   93   2HA   GLY   9          1HA       GLY   9   3.458  -5.259  -2.254
   94    H    ILE  10           H        ILE  10   0.931  -6.110  -0.929
   95    HA   ILE  10           HA       ILE  10  -0.914  -5.058  -2.967
   96    HB   ILE  10           HB       ILE  10  -1.550  -6.978  -0.730
   97   1HG1  ILE  10          2HG1      ILE  10  -0.507  -8.065  -3.297
   98   2HG1  ILE  10          1HG1      ILE  10   0.691  -7.408  -2.198
   99   1HG2  ILE  10          1HG2      ILE  10  -2.450  -6.637  -3.603
  100   2HG2  ILE  10          2HG2      ILE  10  -3.410  -6.373  -2.148
  101   3HG2  ILE  10          3HG2      ILE  10  -2.914  -8.007  -2.594
  102   1HD1  ILE  10          1HD1      ILE  10   0.051  -9.912  -1.952
  103   2HD1  ILE  10          2HD1      ILE  10  -1.419  -9.300  -1.193
  104   3HD1  ILE  10          3HD1      ILE  10   0.156  -8.930  -0.492
  105    H    GLY  11           H        GLY  11   0.020  -4.126   0.107
  106   1HA   GLY  11          2HA       GLY  11  -2.442  -3.470   1.376
  107   2HA   GLY  11          1HA       GLY  11  -0.907  -2.668   1.697
  108    H    LYS  12           H        LYS  12  -1.067  -2.203  -1.442
  109    HA   LYS  12           HA       LYS  12  -1.955   0.542  -1.253
  110   1HB   LYS  12          2HB       LYS  12  -0.475  -1.111  -2.978
  111   2HB   LYS  12          1HB       LYS  12  -1.851  -0.570  -3.939
  112   1HG   LYS  12          2HG       LYS  12  -1.127   1.741  -2.637
  113   2HG   LYS  12          1HG       LYS  12   0.436   0.971  -2.909
  114   1HD   LYS  12          2HD       LYS  12  -0.125   0.699  -5.305
  115   2HD   LYS  12          1HD       LYS  12  -1.667   1.510  -5.026
  116   1HE   LYS  12          2HE       LYS  12  -0.160   3.424  -4.015
  117   2HE   LYS  12          1HE       LYS  12   1.109   2.669  -4.999
  118   1HZ   LYS  12          1HZ       LYS  12  -0.705   4.401  -5.963
  119   2HZ   LYS  12          2HZ       LYS  12  -1.461   2.919  -6.306
  120   3HZ   LYS  12          3HZ       LYS  12   0.097   3.240  -6.904
  121    H    PHE  13           H        PHE  13  -3.375  -2.406  -2.698
  122    HA   PHE  13           HA       PHE  13  -5.685  -1.257  -3.852
  123   1HB   PHE  13          2HB       PHE  13  -4.682  -3.651  -3.894
  124   2HB   PHE  13          1HB       PHE  13  -5.639  -3.910  -2.437
  125    HD1  PHE  13           HD1      PHE  13  -6.106  -2.285  -5.797
  126    HD2  PHE  13           HD2      PHE  13  -7.734  -4.861  -2.769
  127    HE1  PHE  13           HE1      PHE  13  -8.132  -2.636  -7.184
  128    HE2  PHE  13           HE2      PHE  13  -9.759  -5.212  -4.156
  129    HZ   PHE  13           HZ       PHE  13  -9.959  -4.100  -6.364
  130    H    LEU  14           H        LEU  14  -5.523  -2.930  -0.748
  131    HA   LEU  14           HA       LEU  14  -8.061  -2.115   0.233
  132   1HB   LEU  14          2HB       LEU  14  -5.463  -2.852   1.610
  133   2HB   LEU  14          1HB       LEU  14  -7.006  -2.715   2.453
  134    HG   LEU  14           HG       LEU  14  -6.826  -4.447   0.008
  135   1HD1  LEU  14          1HD1      LEU  14  -6.100  -6.338   1.344
  136   2HD1  LEU  14          2HD1      LEU  14  -6.083  -5.351   2.806
  137   3HD1  LEU  14          3HD1      LEU  14  -4.910  -5.048   1.524
  138   1HD2  LEU  14          1HD2      LEU  14  -8.315  -4.971   2.573
  139   2HD2  LEU  14          2HD2      LEU  14  -8.716  -5.490   0.935
  140   3HD2  LEU  14          3HD2      LEU  14  -8.944  -3.806   1.408
  141    H    HIS  15           H        HIS  15  -5.200  -0.314  -0.209
  142    HA   HIS  15           HA       HIS  15  -5.440   1.610   1.914
  143   1HB   HIS  15          2HB       HIS  15  -3.578   0.940   0.125
  144   2HB   HIS  15          1HB       HIS  15  -4.316   2.254  -0.782
  145    HD1  HIS  15           HD1      HIS  15  -5.031   3.927   1.881
  146    HD2  HIS  15           HD2      HIS  15  -1.278   2.465   0.808
  147    HE1  HIS  15           HE1      HIS  15  -3.331   5.350   3.106
  148    H    SER  16           H        SER  16  -6.267   1.862  -1.571
  149    HA   SER  16           HA       SER  16  -7.692   4.348  -1.300
  150   1HB   SER  16          2HB       SER  16  -8.465   3.720  -3.605
  151   2HB   SER  16          1HB       SER  16  -6.723   3.558  -3.398
  152    HG   SER  16           HG       SER  16  -6.959   1.529  -3.844
  153    H    ALA  17           H        ALA  17  -8.496   1.203  -0.357
  154    HA   ALA  17           HA       ALA  17 -11.392   1.376  -0.809
  155   1HB   ALA  17          1HB       ALA  17 -10.003  -0.510   1.077
  156   2HB   ALA  17          2HB       ALA  17  -9.737  -0.666  -0.659
  157   3HB   ALA  17          3HB       ALA  17 -11.365  -0.824   0.002
  158    H    LYS  18           H        LYS  18  -9.202   1.527   2.017
  159    HA   LYS  18           HA       LYS  18 -11.349   2.139   3.884
  160   1HB   LYS  18          2HB       LYS  18  -8.337   2.448   4.071
  161   2HB   LYS  18          1HB       LYS  18  -9.454   2.416   5.435
  162   1HG   LYS  18          2HG       LYS  18 -10.073   0.133   4.973
  163   2HG   LYS  18          1HG       LYS  18  -9.191   0.148   3.446
  164   1HD   LYS  18          2HD       LYS  18  -7.122   0.738   4.927
  165   2HD   LYS  18          1HD       LYS  18  -8.101   0.105   6.252
  166   1HE   LYS  18          2HE       LYS  18  -8.485  -1.947   4.669
  167   2HE   LYS  18          1HE       LYS  18  -7.038  -1.349   3.835
  168   1HZ   LYS  18          1HZ       LYS  18  -7.280  -2.541   6.450
  169   2HZ   LYS  18          2HZ       LYS  18  -6.376  -1.102   6.444
  170   3HZ   LYS  18          3HZ       LYS  18  -5.919  -2.399   5.447
  171    H    LYS  19           H        LYS  19  -9.460   3.939   1.673
  172    HA   LYS  19           HA       LYS  19  -9.713   6.511   3.082
  173   1HB   LYS  19          2HB       LYS  19  -8.664   5.577   0.402
  174   2HB   LYS  19          1HB       LYS  19  -8.679   7.277   0.865
  175   1HG   LYS  19          2HG       LYS  19  -7.565   6.143   3.086
  176   2HG   LYS  19          1HG       LYS  19  -6.949   5.085   1.819
  177   1HD   LYS  19          2HD       LYS  19  -5.786   6.795   0.758
  178   2HD   LYS  19          1HD       LYS  19  -6.847   8.050   1.399
  179   1HE   LYS  19          2HE       LYS  19  -5.056   6.424   3.219
  180   2HE   LYS  19          1HE       LYS  19  -4.498   7.920   2.442
  181   1HZ   LYS  19          1HZ       LYS  19  -7.020   7.693   3.993
  182   2HZ   LYS  19          2HZ       LYS  19  -6.330   9.113   3.363
  183   3HZ   LYS  19          3HZ       LYS  19  -5.567   8.288   4.637
  184    H    PHE  20           H        PHE  20 -10.539   5.780  -0.309
  185    HA   PHE  20           HA       PHE  20 -12.920   7.531  -0.070
  186   1HB   PHE  20          2HB       PHE  20 -10.947   7.365  -1.877
  187   2HB   PHE  20          1HB       PHE  20 -12.052   6.195  -2.593
  188    HD1  PHE  20           HD1      PHE  20 -14.666   7.414  -1.700
  189    HD2  PHE  20           HD2      PHE  20 -11.140   9.188  -3.397
  190    HE1  PHE  20           HE1      PHE  20 -16.034   9.282  -2.593
  191    HE2  PHE  20           HE2      PHE  20 -12.509  11.054  -4.290
  192    HZ   PHE  20           HZ       PHE  20 -14.955  11.101  -3.888
  193   1HN   NH2  21          1HN       NH2  21 -12.365   4.446  -1.870
  194   2HN   NH2  21          2HN       NH2  21 -13.845   3.740  -1.430
  Start of MODEL   18
    1   1H    LYS   1          1H        LYS   1   5.135 -18.221   2.595
    2   2H    LYS   1          2H        LYS   1   3.507 -18.005   2.162
    3   3H    LYS   1          3H        LYS   1   4.219 -19.543   2.058
    4    HA   LYS   1           HA       LYS   1   3.138 -19.808   4.042
    5   1HB   LYS   1          2HB       LYS   1   4.863 -19.563   5.750
    6   2HB   LYS   1          1HB       LYS   1   5.640 -19.989   4.226
    7   1HG   LYS   1          2HG       LYS   1   6.463 -17.821   3.887
    8   2HG   LYS   1          1HG       LYS   1   5.279 -17.096   4.974
    9   1HD   LYS   1          2HD       LYS   1   7.250 -17.056   6.251
   10   2HD   LYS   1          1HD       LYS   1   6.443 -18.520   6.818
   11   1HE   LYS   1          2HE       LYS   1   8.705 -19.183   6.397
   12   2HE   LYS   1          1HE       LYS   1   7.799 -19.749   4.980
   13   1HZ   LYS   1          1HZ       LYS   1   8.819 -17.000   4.984
   14   2HZ   LYS   1          2HZ       LYS   1   8.574 -18.059   3.678
   15   3HZ   LYS   1          3HZ       LYS   1   9.922 -18.256   4.694
   16    H    ALA   2           H        ALA   2   3.786 -18.114   6.418
   17    HA   ALA   2           HA       ALA   2   1.718 -16.019   5.954
   18   1HB   ALA   2          1HB       ALA   2   2.954 -16.800   8.591
   19   2HB   ALA   2          2HB       ALA   2   1.774 -17.857   7.816
   20   3HB   ALA   2          3HB       ALA   2   1.322 -16.215   8.269
   21    H    LYS   3           H        LYS   3   3.630 -14.888   4.717
   22    HA   LYS   3           HA       LYS   3   4.645 -12.751   6.403
   23   1HB   LYS   3          2HB       LYS   3   6.086 -14.855   6.842
   24   2HB   LYS   3          1HB       LYS   3   6.717 -14.606   5.215
   25   1HG   LYS   3          2HG       LYS   3   7.567 -12.432   5.787
   26   2HG   LYS   3          1HG       LYS   3   6.716 -12.441   7.332
   27   1HD   LYS   3          2HD       LYS   3   8.325 -13.680   8.341
   28   2HD   LYS   3          1HD       LYS   3   8.483 -14.760   6.956
   29   1HE   LYS   3          2HE       LYS   3  10.532 -13.714   6.770
   30   2HE   LYS   3          1HE       LYS   3   9.573 -12.491   5.913
   31   1HZ   LYS   3          1HZ       LYS   3   9.258 -11.280   7.914
   32   2HZ   LYS   3          2HZ       LYS   3  10.922 -11.605   7.804
   33   3HZ   LYS   3          3HZ       LYS   3   9.945 -12.510   8.857
   34    H    LEU   4           H        LEU   4   4.059 -11.203   4.874
   35    HA   LEU   4           HA       LEU   4   5.268 -11.476   2.154
   36   1HB   LEU   4          2HB       LEU   4   3.118 -10.220   1.461
   37   2HB   LEU   4          1HB       LEU   4   2.962 -11.920   1.877
   38    HG   LEU   4           HG       LEU   4   1.221 -10.365   2.868
   39   1HD1  LEU   4          1HD1      LEU   4   2.518 -12.597   3.975
   40   2HD1  LEU   4          2HD1      LEU   4   0.888 -12.018   4.317
   41   3HD1  LEU   4          3HD1      LEU   4   2.244 -11.468   5.301
   42   1HD2  LEU   4          1HD2      LEU   4   3.327  -9.602   4.871
   43   2HD2  LEU   4          2HD2      LEU   4   1.739  -8.890   4.618
   44   3HD2  LEU   4          3HD2      LEU   4   3.024  -8.612   3.445
   45    H    PHE   5           H        PHE   5   6.245 -10.020   4.556
   46    HA   PHE   5           HA       PHE   5   5.700  -7.191   4.238
   47   1HB   PHE   5          2HB       PHE   5   7.174  -9.000   5.925
   48   2HB   PHE   5          1HB       PHE   5   8.224  -7.662   5.458
   49    HD1  PHE   5           HD1      PHE   5   6.298  -5.447   5.153
   50    HD2  PHE   5           HD2      PHE   5   6.527  -8.525   8.140
   51    HE1  PHE   5           HE1      PHE   5   5.137  -3.965   6.769
   52    HE2  PHE   5           HE2      PHE   5   5.367  -7.044   9.755
   53    HZ   PHE   5           HZ       PHE   5   4.671  -4.765   9.070
   54    H    LYS   6           H        LYS   6   6.106  -7.629   1.701
   55    HA   LYS   6           HA       LYS   6   8.617  -6.289   1.054
   56   1HB   LYS   6          2HB       LYS   6   9.509  -8.194  -0.272
   57   2HB   LYS   6          1HB       LYS   6   9.361  -8.608   1.437
   58   1HG   LYS   6          2HG       LYS   6   7.447  -9.931   1.079
   59   2HG   LYS   6          1HG       LYS   6   7.117  -9.192  -0.489
   60   1HD   LYS   6          2HD       LYS   6   8.044 -11.262  -1.090
   61   2HD   LYS   6          1HD       LYS   6   9.438 -10.182  -1.166
   62   1HE   LYS   6          2HE       LYS   6  10.269 -11.989   0.103
   63   2HE   LYS   6          1HE       LYS   6   9.741 -10.861   1.368
   64   1HZ   LYS   6          1HZ       LYS   6   7.918 -12.090   1.845
   65   2HZ   LYS   6          2HZ       LYS   6   8.870 -13.361   1.241
   66   3HZ   LYS   6          3HZ       LYS   6   7.708 -12.620   0.248
   67    H    LYS   7           H        LYS   7   6.141  -5.365   0.480
   68    HA   LYS   7           HA       LYS   7   5.865  -5.880  -2.459
   69   1HB   LYS   7          2HB       LYS   7   3.472  -5.938  -2.182
   70   2HB   LYS   7          1HB       LYS   7   4.152  -7.017  -0.962
   71   1HG   LYS   7          2HG       LYS   7   4.068  -4.391   0.152
   72   2HG   LYS   7          1HG       LYS   7   2.491  -4.726  -0.559
   73   1HD   LYS   7          2HD       LYS   7   1.991  -6.249   1.032
   74   2HD   LYS   7          1HD       LYS   7   3.569  -7.024   0.886
   75   1HE   LYS   7          2HE       LYS   7   3.615  -6.158   3.086
   76   2HE   LYS   7          1HE       LYS   7   4.438  -4.888   2.157
   77   1HZ   LYS   7          1HZ       LYS   7   1.925  -4.175   1.774
   78   2HZ   LYS   7          2HZ       LYS   7   2.835  -3.611   3.093
   79   3HZ   LYS   7          3HZ       LYS   7   1.751  -4.903   3.295
   80    H    ILE   8           H        ILE   8   5.243  -4.022  -3.680
   81    HA   ILE   8           HA       ILE   8   5.256  -1.425  -2.174
   82    HB   ILE   8           HB       ILE   8   6.417  -1.922  -4.923
   83   1HG1  ILE   8          2HG1      ILE   8   7.657  -2.279  -2.190
   84   2HG1  ILE   8          1HG1      ILE   8   7.672  -3.401  -3.549
   85   1HG2  ILE   8          1HG2      ILE   8   5.988   0.412  -4.359
   86   2HG2  ILE   8          2HG2      ILE   8   7.727   0.120  -4.316
   87   3HG2  ILE   8          3HG2      ILE   8   6.813   0.220  -2.811
   88   1HD1  ILE   8          1HD1      ILE   8   9.753  -2.543  -3.915
   89   2HD1  ILE   8          2HD1      ILE   8   9.410  -1.066  -3.015
   90   3HD1  ILE   8          3HD1      ILE   8   8.863  -1.229  -4.684
   91    H    GLY   9           H        GLY   9   3.666  -3.442  -4.440
   92   1HA   GLY   9          2HA       GLY   9   1.969  -1.138  -5.312
   93   2HA   GLY   9          1HA       GLY   9   2.324  -2.508  -6.364
   94    H    ILE  10           H        ILE  10   2.018  -3.637  -3.242
   95    HA   ILE  10           HA       ILE  10  -0.763  -4.557  -3.802
   96    HB   ILE  10           HB       ILE  10   1.192  -5.578  -1.733
   97   1HG1  ILE  10          2HG1      ILE  10   0.938  -6.411  -4.643
   98   2HG1  ILE  10          1HG1      ILE  10   2.311  -5.555  -3.939
   99   1HG2  ILE  10          1HG2      ILE  10  -0.910  -6.559  -1.375
  100   2HG2  ILE  10          2HG2      ILE  10  -0.110  -7.732  -2.422
  101   3HG2  ILE  10          3HG2      ILE  10  -1.286  -6.605  -3.098
  102   1HD1  ILE  10          1HD1      ILE  10   2.277  -7.587  -2.234
  103   2HD1  ILE  10          2HD1      ILE  10   3.076  -7.740  -3.798
  104   3HD1  ILE  10          3HD1      ILE  10   1.458  -8.401  -3.566
  105    H    GLY  11           H        GLY  11   0.910  -2.307  -1.928
  106   1HA   GLY  11          2HA       GLY  11  -0.877  -2.463   0.405
  107   2HA   GLY  11          1HA       GLY  11   0.420  -1.290   0.177
  108    H    LYS  12           H        LYS  12  -1.015  -1.141  -2.679
  109    HA   LYS  12           HA       LYS  12  -2.562   1.271  -1.996
  110   1HB   LYS  12          2HB       LYS  12  -2.583   1.522  -4.432
  111   2HB   LYS  12          1HB       LYS  12  -0.964   1.051  -3.916
  112   1HG   LYS  12          2HG       LYS  12  -1.262  -1.190  -4.630
  113   2HG   LYS  12          1HG       LYS  12  -3.012  -1.005  -4.748
  114   1HD   LYS  12          2HD       LYS  12  -2.628   0.689  -6.579
  115   2HD   LYS  12          1HD       LYS  12  -0.918   0.254  -6.540
  116   1HE   LYS  12          2HE       LYS  12  -1.317  -1.582  -7.808
  117   2HE   LYS  12          1HE       LYS  12  -2.565  -2.137  -6.673
  118   1HZ   LYS  12          1HZ       LYS  12  -3.214   0.189  -8.301
  119   2HZ   LYS  12          2HZ       LYS  12  -4.203  -1.102  -7.810
  120   3HZ   LYS  12          3HZ       LYS  12  -3.140  -1.293  -9.121
  121    H    PHE  13           H        PHE  13  -3.255  -2.011  -2.131
  122    HA   PHE  13           HA       PHE  13  -5.811  -1.987  -3.483
  123   1HB   PHE  13          2HB       PHE  13  -4.356  -3.947  -3.233
  124   2HB   PHE  13          1HB       PHE  13  -4.566  -3.893  -1.488
  125    HD1  PHE  13           HD1      PHE  13  -5.873  -5.732  -0.856
  126    HD2  PHE  13           HD2      PHE  13  -6.995  -3.434  -4.306
  127    HE1  PHE  13           HE1      PHE  13  -7.947  -7.074  -1.075
  128    HE2  PHE  13           HE2      PHE  13  -9.070  -4.775  -4.526
  129    HZ   PHE  13           HZ       PHE  13  -9.546  -6.596  -2.911
  130    H    LEU  14           H        LEU  14  -5.624  -3.184  -0.227
  131    HA   LEU  14           HA       LEU  14  -8.201  -2.264   0.524
  132   1HB   LEU  14          2HB       LEU  14  -5.762  -3.307   1.937
  133   2HB   LEU  14          1HB       LEU  14  -7.163  -2.785   2.875
  134    HG   LEU  14           HG       LEU  14  -7.640  -4.589   0.543
  135   1HD1  LEU  14          1HD1      LEU  14  -5.930  -5.247   2.814
  136   2HD1  LEU  14          2HD1      LEU  14  -6.237  -6.168   1.342
  137   3HD1  LEU  14          3HD1      LEU  14  -7.335  -6.308   2.714
  138   1HD2  LEU  14          1HD2      LEU  14  -9.198  -3.473   2.520
  139   2HD2  LEU  14          2HD2      LEU  14  -8.881  -5.082   3.170
  140   3HD2  LEU  14          3HD2      LEU  14  -9.637  -4.903   1.586
  141    H    HIS  15           H        HIS  15  -5.319  -0.494   0.249
  142    HA   HIS  15           HA       HIS  15  -5.827   1.407   2.411
  143   1HB   HIS  15          2HB       HIS  15  -3.661   0.666   1.068
  144   2HB   HIS  15          1HB       HIS  15  -4.137   1.991   0.012
  145    HD1  HIS  15           HD1      HIS  15  -4.537   4.367   1.305
  146    HD2  HIS  15           HD2      HIS  15  -2.350   1.481   3.371
  147    HE1  HIS  15           HE1      HIS  15  -3.338   5.581   3.177
  148    H    SER  16           H        SER  16  -5.964   1.629  -1.170
  149    HA   SER  16           HA       SER  16  -7.252   4.201  -1.200
  150   1HB   SER  16          2HB       SER  16  -6.548   3.857  -3.324
  151   2HB   SER  16          1HB       SER  16  -6.351   2.134  -3.020
  152    HG   SER  16           HG       SER  16  -7.918   2.402  -4.590
  153    H    ALA  17           H        ALA  17  -8.419   1.169  -0.284
  154    HA   ALA  17           HA       ALA  17 -11.188   1.546  -1.211
  155   1HB   ALA  17          1HB       ALA  17 -11.323  -0.518   0.476
  156   2HB   ALA  17          2HB       ALA  17  -9.569  -0.475   0.294
  157   3HB   ALA  17          3HB       ALA  17 -10.596  -0.698  -1.121
  158    H    LYS  18           H        LYS  18  -9.587   1.323   1.997
  159    HA   LYS  18           HA       LYS  18 -11.918   2.283   3.424
  160   1HB   LYS  18          2HB       LYS  18  -8.989   1.918   4.089
  161   2HB   LYS  18          1HB       LYS  18 -10.181   2.421   5.287
  162   1HG   LYS  18          2HG       LYS  18 -10.545  -0.072   3.617
  163   2HG   LYS  18          1HG       LYS  18  -9.687  -0.093   5.158
  164   1HD   LYS  18          2HD       LYS  18 -11.850   1.202   5.995
  165   2HD   LYS  18          1HD       LYS  18 -12.590   0.392   4.615
  166   1HE   LYS  18          2HE       LYS  18 -11.683  -1.792   5.484
  167   2HE   LYS  18          1HE       LYS  18 -11.147  -0.928   6.938
  168   1HZ   LYS  18          1HZ       LYS  18 -13.572  -1.958   6.736
  169   2HZ   LYS  18          2HZ       LYS  18 -13.878  -0.440   6.037
  170   3HZ   LYS  18          3HZ       LYS  18 -13.260  -0.542   7.616
  171    H    LYS  19           H        LYS  19  -9.277   3.786   1.799
  172    HA   LYS  19           HA       LYS  19  -9.548   6.373   3.185
  173   1HB   LYS  19          2HB       LYS  19  -7.549   5.039   1.856
  174   2HB   LYS  19          1HB       LYS  19  -8.081   6.186   0.627
  175   1HG   LYS  19          2HG       LYS  19  -6.832   7.743   1.677
  176   2HG   LYS  19          1HG       LYS  19  -8.001   7.678   2.997
  177   1HD   LYS  19          2HD       LYS  19  -6.496   5.470   3.546
  178   2HD   LYS  19          1HD       LYS  19  -5.280   6.529   2.830
  179   1HE   LYS  19          2HE       LYS  19  -5.745   8.277   4.437
  180   2HE   LYS  19          1HE       LYS  19  -7.152   7.394   5.061
  181   1HZ   LYS  19          1HZ       LYS  19  -4.664   7.152   6.053
  182   2HZ   LYS  19          2HZ       LYS  19  -4.705   5.856   4.955
  183   3HZ   LYS  19          3HZ       LYS  19  -5.867   5.964   6.191
  184    H    PHE  20           H        PHE  20  -9.841   5.368  -0.247
  185    HA   PHE  20           HA       PHE  20 -11.788   7.601  -0.654
  186   1HB   PHE  20          2HB       PHE  20  -9.588   7.302  -1.966
  187   2HB   PHE  20          1HB       PHE  20 -10.379   5.933  -2.748
  188    HD1  PHE  20           HD1      PHE  20  -9.931   9.475  -2.782
  189    HD2  PHE  20           HD2      PHE  20 -12.725   6.373  -3.792
  190    HE1  PHE  20           HE1      PHE  20 -11.100  11.030  -4.318
  191    HE2  PHE  20           HE2      PHE  20 -13.895   7.927  -5.329
  192    HZ   PHE  20           HZ       PHE  20 -13.083  10.256  -5.593
  193   1HN   NH2  21          1HN       NH2  21 -13.866   7.108  -1.623
  194   2HN   NH2  21          2HN       NH2  21 -14.448   5.522  -1.782
  Start of MODEL   19
    1   1H    LYS   1          1H        LYS   1   7.391 -21.382  -3.532
    2   2H    LYS   1          2H        LYS   1   6.747 -22.822  -4.164
    3   3H    LYS   1          3H        LYS   1   5.891 -21.953  -2.982
    4    HA   LYS   1           HA       LYS   1   6.544 -20.698  -5.580
    5   1HB   LYS   1          2HB       LYS   1   4.501 -22.784  -4.844
    6   2HB   LYS   1          1HB       LYS   1   4.123 -21.591  -6.088
    7   1HG   LYS   1          2HG       LYS   1   6.494 -22.271  -7.030
    8   2HG   LYS   1          1HG       LYS   1   6.209 -23.745  -6.105
    9   1HD   LYS   1          2HD       LYS   1   3.782 -23.286  -7.402
   10   2HD   LYS   1          1HD       LYS   1   4.999 -22.879  -8.613
   11   1HE   LYS   1          2HE       LYS   1   5.609 -25.335  -7.092
   12   2HE   LYS   1          1HE       LYS   1   4.153 -25.440  -8.102
   13   1HZ   LYS   1          1HZ       LYS   1   5.369 -24.637  -9.978
   14   2HZ   LYS   1          2HZ       LYS   1   6.236 -25.943  -9.323
   15   3HZ   LYS   1          3HZ       LYS   1   6.752 -24.349  -9.039
   16    H    ALA   2           H        ALA   2   3.615 -21.236  -3.616
   17    HA   ALA   2           HA       ALA   2   2.623 -18.596  -3.809
   18   1HB   ALA   2          1HB       ALA   2   1.184 -19.298  -1.957
   19   2HB   ALA   2          2HB       ALA   2   2.316 -20.583  -1.535
   20   3HB   ALA   2          3HB       ALA   2   1.421 -20.658  -3.053
   21    H    LYS   3           H        LYS   3   4.232 -17.011  -3.372
   22    HA   LYS   3           HA       LYS   3   5.036 -16.807  -0.494
   23   1HB   LYS   3          2HB       LYS   3   6.678 -16.507  -3.019
   24   2HB   LYS   3          1HB       LYS   3   7.223 -15.884  -1.461
   25   1HG   LYS   3          2HG       LYS   3   6.345 -18.514  -0.961
   26   2HG   LYS   3          1HG       LYS   3   7.289 -18.601  -2.449
   27   1HD   LYS   3          2HD       LYS   3   9.046 -18.726  -0.986
   28   2HD   LYS   3          1HD       LYS   3   8.884 -16.970  -0.993
   29   1HE   LYS   3          2HE       LYS   3   7.482 -17.050   1.016
   30   2HE   LYS   3          1HE       LYS   3   7.533 -18.824   1.003
   31   1HZ   LYS   3          1HZ       LYS   3   9.683 -16.910   1.571
   32   2HZ   LYS   3          2HZ       LYS   3  10.090 -18.387   0.838
   33   3HZ   LYS   3          3HZ       LYS   3   9.312 -18.370   2.350
   34    H    LEU   4           H        LEU   4   2.961 -15.367  -0.802
   35    HA   LEU   4           HA       LEU   4   3.886 -12.592  -1.072
   36   1HB   LEU   4          2HB       LEU   4   1.996 -12.194  -2.798
   37   2HB   LEU   4          1HB       LEU   4   3.471 -12.969  -3.370
   38    HG   LEU   4           HG       LEU   4   1.978 -15.135  -2.548
   39   1HD1  LEU   4          1HD1      LEU   4   0.002 -13.545  -4.115
   40   2HD1  LEU   4          2HD1      LEU   4   0.116 -13.226  -2.384
   41   3HD1  LEU   4          3HD1      LEU   4  -0.269 -14.849  -2.959
   42   1HD2  LEU   4          1HD2      LEU   4   2.713 -15.600  -4.629
   43   2HD2  LEU   4          2HD2      LEU   4   2.847 -13.886  -5.019
   44   3HD2  LEU   4          3HD2      LEU   4   1.312 -14.723  -5.245
   45    H    PHE   5           H        PHE   5   2.564 -14.428   0.940
   46    HA   PHE   5           HA       PHE   5  -0.069 -13.073   1.297
   47   1HB   PHE   5          2HB       PHE   5   1.152 -15.648   1.928
   48   2HB   PHE   5          1HB       PHE   5   0.345 -14.945   3.329
   49    HD1  PHE   5           HD1      PHE   5  -0.280 -17.271   1.026
   50    HD2  PHE   5           HD2      PHE   5  -1.880 -13.462   2.202
   51    HE1  PHE   5           HE1      PHE   5  -2.483 -17.903   0.077
   52    HE2  PHE   5           HE2      PHE   5  -4.083 -14.095   1.256
   53    HZ   PHE   5           HZ       PHE   5  -4.384 -16.317   0.194
   54    H    LYS   6           H        LYS   6   3.032 -12.387   2.029
   55    HA   LYS   6           HA       LYS   6   2.278 -10.953   4.535
   56   1HB   LYS   6          2HB       LYS   6   4.783 -12.626   4.138
   57   2HB   LYS   6          1HB       LYS   6   4.295 -11.803   5.621
   58   1HG   LYS   6          2HG       LYS   6   2.231 -13.206   5.674
   59   2HG   LYS   6          1HG       LYS   6   2.827 -14.080   4.264
   60   1HD   LYS   6          2HD       LYS   6   4.998 -14.213   5.925
   61   2HD   LYS   6          1HD       LYS   6   3.670 -14.266   7.085
   62   1HE   LYS   6          2HE       LYS   6   2.783 -16.249   6.175
   63   2HE   LYS   6          1HE       LYS   6   3.608 -16.012   4.622
   64   1HZ   LYS   6          1HZ       LYS   6   4.931 -16.538   7.232
   65   2HZ   LYS   6          2HZ       LYS   6   5.733 -16.266   5.759
   66   3HZ   LYS   6          3HZ       LYS   6   4.773 -17.652   5.964
   67    H    LYS   7           H        LYS   7   2.325  -9.378   2.486
   68    HA   LYS   7           HA       LYS   7   5.084  -8.210   2.353
   69   1HB   LYS   7          2HB       LYS   7   3.824  -9.589   0.352
   70   2HB   LYS   7          1HB       LYS   7   3.335  -7.934  -0.011
   71   1HG   LYS   7          2HG       LYS   7   5.864  -7.375   0.356
   72   2HG   LYS   7          1HG       LYS   7   6.101  -9.104   0.089
   73   1HD   LYS   7          2HD       LYS   7   4.383  -8.466  -1.950
   74   2HD   LYS   7          1HD       LYS   7   5.352  -6.998  -1.832
   75   1HE   LYS   7          2HE       LYS   7   7.319  -8.866  -1.654
   76   2HE   LYS   7          1HE       LYS   7   6.160  -9.720  -2.694
   77   1HZ   LYS   7          1HZ       LYS   7   5.966  -7.646  -4.005
   78   2HZ   LYS   7          2HZ       LYS   7   7.515  -8.339  -4.076
   79   3HZ   LYS   7          3HZ       LYS   7   7.233  -6.980  -3.094
   80    H    ILE   8           H        ILE   8   4.471  -6.003   0.816
   81    HA   ILE   8           HA       ILE   8   2.409  -4.536   2.429
   82    HB   ILE   8           HB       ILE   8   4.924  -3.325   1.286
   83   1HG1  ILE   8          2HG1      ILE   8   4.646  -4.774   3.935
   84   2HG1  ILE   8          1HG1      ILE   8   5.688  -5.241   2.594
   85   1HG2  ILE   8          1HG2      ILE   8   4.523  -2.020   3.558
   86   2HG2  ILE   8          2HG2      ILE   8   2.884  -2.642   3.372
   87   3HG2  ILE   8          3HG2      ILE   8   3.585  -1.619   2.120
   88   1HD1  ILE   8          1HD1      ILE   8   7.283  -3.753   3.180
   89   2HD1  ILE   8          2HD1      ILE   8   6.424  -3.598   4.712
   90   3HD1  ILE   8          3HD1      ILE   8   6.102  -2.462   3.401
   91    H    GLY   9           H        GLY   9   3.423  -5.527  -0.650
   92   1HA   GLY   9          2HA       GLY   9   2.582  -3.202  -2.160
   93   2HA   GLY   9          1HA       GLY   9   2.913  -4.792  -2.835
   94    H    ILE  10           H        ILE  10   1.032  -6.116  -1.022
   95    HA   ILE  10           HA       ILE  10  -1.387  -5.778  -2.614
   96    HB   ILE  10           HB       ILE  10  -0.840  -7.352  -0.075
   97   1HG1  ILE  10          2HG1      ILE  10  -0.566  -8.072  -3.011
   98   2HG1  ILE  10          1HG1      ILE  10   0.730  -7.999  -1.816
   99   1HG2  ILE  10          1HG2      ILE  10  -2.769  -8.663  -0.677
  100   2HG2  ILE  10          2HG2      ILE  10  -2.918  -7.834  -2.226
  101   3HG2  ILE  10          3HG2      ILE  10  -3.260  -6.970  -0.728
  102   1HD1  ILE  10          1HD1      ILE  10   0.237 -10.053  -0.992
  103   2HD1  ILE  10          2HD1      ILE  10  -0.681 -10.276  -2.481
  104   3HD1  ILE  10          3HD1      ILE  10  -1.498  -9.741  -1.012
  105    H    GLY  11           H        GLY  11  -0.137  -4.178   0.081
  106   1HA   GLY  11          2HA       GLY  11  -2.689  -3.652   1.414
  107   2HA   GLY  11          1HA       GLY  11  -1.140  -2.903   1.809
  108    H    LYS  12           H        LYS  12  -1.368  -2.584  -1.441
  109    HA   LYS  12           HA       LYS  12  -2.013   0.252  -1.271
  110   1HB   LYS  12          2HB       LYS  12  -0.611  -1.484  -2.951
  111   2HB   LYS  12          1HB       LYS  12  -1.976  -0.952  -3.933
  112   1HG   LYS  12          2HG       LYS  12  -1.401   1.426  -3.158
  113   2HG   LYS  12          1HG       LYS  12   0.125   0.752  -2.585
  114   1HD   LYS  12          2HD       LYS  12   0.964   0.772  -4.672
  115   2HD   LYS  12          1HD       LYS  12  -0.396  -0.187  -5.258
  116   1HE   LYS  12          2HE       LYS  12  -0.987   1.674  -6.433
  117   2HE   LYS  12          1HE       LYS  12  -1.507   2.343  -4.874
  118   1HZ   LYS  12          1HZ       LYS  12   1.267   2.476  -5.933
  119   2HZ   LYS  12          2HZ       LYS  12   0.704   3.172  -4.489
  120   3HZ   LYS  12          3HZ       LYS  12   0.155   3.756  -5.988
  121    H    PHE  13           H        PHE  13  -3.597  -2.588  -2.778
  122    HA   PHE  13           HA       PHE  13  -5.837  -1.313  -3.897
  123   1HB   PHE  13          2HB       PHE  13  -4.946  -3.774  -3.875
  124   2HB   PHE  13          1HB       PHE  13  -5.988  -3.948  -2.468
  125    HD1  PHE  13           HD1      PHE  13  -6.167  -2.377  -5.878
  126    HD2  PHE  13           HD2      PHE  13  -8.135  -4.740  -2.878
  127    HE1  PHE  13           HE1      PHE  13  -8.139  -2.620  -7.363
  128    HE2  PHE  13           HE2      PHE  13 -10.105  -4.983  -4.364
  129    HZ   PHE  13           HZ       PHE  13 -10.109  -3.923  -6.606
  130    H    LEU  14           H        LEU  14  -5.505  -2.755  -0.706
  131    HA   LEU  14           HA       LEU  14  -8.067  -1.886   0.281
  132   1HB   LEU  14          2HB       LEU  14  -5.506  -2.696   1.689
  133   2HB   LEU  14          1HB       LEU  14  -7.097  -2.611   2.451
  134    HG   LEU  14           HG       LEU  14  -6.362  -4.385   0.103
  135   1HD1  LEU  14          1HD1      LEU  14  -5.688  -4.786   2.710
  136   2HD1  LEU  14          2HD1      LEU  14  -6.036  -6.094   1.580
  137   3HD1  LEU  14          3HD1      LEU  14  -7.291  -5.518   2.676
  138   1HD2  LEU  14          1HD2      LEU  14  -8.630  -5.352   0.521
  139   2HD2  LEU  14          2HD2      LEU  14  -8.699  -3.667   0.005
  140   3HD2  LEU  14          3HD2      LEU  14  -8.922  -4.078   1.706
  141    H    HIS  15           H        HIS  15  -5.121  -0.245  -0.228
  142    HA   HIS  15           HA       HIS  15  -5.184   1.704   1.884
  143   1HB   HIS  15          2HB       HIS  15  -3.324   1.141   0.227
  144   2HB   HIS  15          1HB       HIS  15  -4.225   2.063  -0.971
  145    HD1  HIS  15           HD1      HIS  15  -4.717   4.641  -0.306
  146    HD2  HIS  15           HD2      HIS  15  -1.768   2.712   1.923
  147    HE1  HIS  15           HE1      HIS  15  -3.391   6.461   0.855
  148    H    SER  16           H        SER  16  -5.983   2.239  -1.549
  149    HA   SER  16           HA       SER  16  -7.525   4.604  -1.095
  150   1HB   SER  16          2HB       SER  16  -7.557   2.543  -3.320
  151   2HB   SER  16          1HB       SER  16  -8.304   4.135  -3.431
  152    HG   SER  16           HG       SER  16  -5.569   3.464  -3.135
  153    H    ALA  17           H        ALA  17  -8.218   1.330  -0.488
  154    HA   ALA  17           HA       ALA  17 -11.098   1.378  -0.859
  155   1HB   ALA  17          1HB       ALA  17 -10.959  -0.806   0.052
  156   2HB   ALA  17          2HB       ALA  17  -9.537  -0.404   1.013
  157   3HB   ALA  17          3HB       ALA  17  -9.395  -0.588  -0.735
  158    H    LYS  18           H        LYS  18  -9.031   1.402   2.082
  159    HA   LYS  18           HA       LYS  18 -11.121   1.945   3.940
  160   1HB   LYS  18          2HB       LYS  18  -8.402   1.465   3.969
  161   2HB   LYS  18          1HB       LYS  18  -8.488   3.148   4.491
  162   1HG   LYS  18          2HG       LYS  18  -9.681   2.636   6.413
  163   2HG   LYS  18          1HG       LYS  18 -10.380   1.174   5.717
  164   1HD   LYS  18          2HD       LYS  18  -8.019   0.196   5.737
  165   2HD   LYS  18          1HD       LYS  18  -7.560   1.573   6.740
  166   1HE   LYS  18          2HE       LYS  18  -9.138   0.934   8.466
  167   2HE   LYS  18          1HE       LYS  18  -9.824  -0.333   7.430
  168   1HZ   LYS  18          1HZ       LYS  18  -7.861  -0.814   9.139
  169   2HZ   LYS  18          2HZ       LYS  18  -6.933  -0.353   7.792
  170   3HZ   LYS  18          3HZ       LYS  18  -8.021  -1.653   7.674
  171    H    LYS  19           H        LYS  19  -9.553   3.913   1.614
  172    HA   LYS  19           HA       LYS  19  -9.977   6.514   2.802
  173   1HB   LYS  19          2HB       LYS  19  -8.632   5.446   0.668
  174   2HB   LYS  19          1HB       LYS  19  -9.999   6.212  -0.144
  175   1HG   LYS  19          2HG       LYS  19  -9.454   8.278   1.314
  176   2HG   LYS  19          1HG       LYS  19  -7.902   7.492   1.604
  177   1HD   LYS  19          2HD       LYS  19  -7.173   8.303  -0.364
  178   2HD   LYS  19          1HD       LYS  19  -8.375   7.300  -1.179
  179   1HE   LYS  19          2HE       LYS  19 -10.065   9.152  -0.760
  180   2HE   LYS  19          1HE       LYS  19  -8.707  10.165  -0.234
  181   1HZ   LYS  19          1HZ       LYS  19  -7.937   8.865  -2.581
  182   2HZ   LYS  19          2HZ       LYS  19  -8.211  10.526  -2.354
  183   3HZ   LYS  19          3HZ       LYS  19  -9.476   9.515  -2.864
  184    H    PHE  20           H        PHE  20 -11.663   4.951   0.046
  185    HA   PHE  20           HA       PHE  20 -14.095   6.560   0.739
  186   1HB   PHE  20          2HB       PHE  20 -12.758   6.688  -1.508
  187   2HB   PHE  20          1HB       PHE  20 -13.557   5.157  -1.873
  188    HD1  PHE  20           HD1      PHE  20 -16.002   5.032  -2.113
  189    HD2  PHE  20           HD2      PHE  20 -14.018   8.764  -1.348
  190    HE1  PHE  20           HE1      PHE  20 -18.062   6.258  -2.751
  191    HE2  PHE  20           HE2      PHE  20 -16.077   9.990  -1.986
  192    HZ   PHE  20           HZ       PHE  20 -18.099   8.738  -2.687
  193   1HN   NH2  21          1HN       NH2  21 -13.464   3.985   2.082
  194   2HN   NH2  21          2HN       NH2  21 -14.680   2.890   1.632
  Start of MODEL   20
    1   1H    LYS   1          1H        LYS   1  18.248  -5.113 -13.563
    2   2H    LYS   1          2H        LYS   1  16.690  -5.531 -14.094
    3   3H    LYS   1          3H        LYS   1  17.006  -5.352 -12.434
    4    HA   LYS   1           HA       LYS   1  17.392  -3.086 -14.298
    5   1HB   LYS   1          2HB       LYS   1  14.861  -4.083 -12.951
    6   2HB   LYS   1          1HB       LYS   1  15.014  -2.507 -13.726
    7   1HG   LYS   1          2HG       LYS   1  14.587  -3.437 -15.728
    8   2HG   LYS   1          1HG       LYS   1  15.988  -4.492 -15.542
    9   1HD   LYS   1          2HD       LYS   1  14.300  -6.076 -15.696
   10   2HD   LYS   1          1HD       LYS   1  14.350  -5.839 -13.950
   11   1HE   LYS   1          2HE       LYS   1  12.176  -5.211 -14.011
   12   2HE   LYS   1          1HE       LYS   1  12.632  -3.826 -15.024
   13   1HZ   LYS   1          1HZ       LYS   1  12.717  -5.460 -16.919
   14   2HZ   LYS   1          2HZ       LYS   1  11.164  -5.112 -16.323
   15   3HZ   LYS   1          3HZ       LYS   1  11.931  -6.569 -15.904
   16    H    ALA   2           H        ALA   2  15.402  -3.167 -11.418
   17    HA   ALA   2           HA       ALA   2  17.615  -2.028  -9.769
   18   1HB   ALA   2          1HB       ALA   2  15.036  -0.626  -9.560
   19   2HB   ALA   2          2HB       ALA   2  15.786  -0.490 -11.151
   20   3HB   ALA   2          3HB       ALA   2  16.663   0.038  -9.714
   21    H    LYS   3           H        LYS   3  16.047  -1.291  -7.588
   22    HA   LYS   3           HA       LYS   3  14.608  -3.816  -6.849
   23   1HB   LYS   3          2HB       LYS   3  15.750  -3.686  -4.661
   24   2HB   LYS   3          1HB       LYS   3  16.921  -3.790  -5.973
   25   1HG   LYS   3          2HG       LYS   3  16.694  -1.116  -5.840
   26   2HG   LYS   3          1HG       LYS   3  16.298  -1.508  -4.166
   27   1HD   LYS   3          2HD       LYS   3  18.615  -2.973  -5.269
   28   2HD   LYS   3          1HD       LYS   3  18.850  -1.233  -5.097
   29   1HE   LYS   3          2HE       LYS   3  18.810  -1.328  -2.807
   30   2HE   LYS   3          1HE       LYS   3  17.557  -2.586  -2.786
   31   1HZ   LYS   3          1HZ       LYS   3  19.659  -3.537  -2.113
   32   2HZ   LYS   3          2HZ       LYS   3  20.416  -2.961  -3.520
   33   3HZ   LYS   3          3HZ       LYS   3  19.222  -4.164  -3.627
   34    H    LEU   4           H        LEU   4  12.539  -3.000  -6.785
   35    HA   LEU   4           HA       LEU   4  12.039  -0.703  -4.921
   36   1HB   LEU   4          2HB       LEU   4  10.394  -1.258  -7.391
   37   2HB   LEU   4          1HB       LEU   4  10.593   0.263  -6.521
   38    HG   LEU   4           HG       LEU   4  12.812  -1.111  -8.069
   39   1HD1  LEU   4          1HD1      LEU   4  10.929  -0.295  -9.512
   40   2HD1  LEU   4          2HD1      LEU   4  12.451   0.547  -9.798
   41   3HD1  LEU   4          3HD1      LEU   4  11.181   1.319  -8.850
   42   1HD2  LEU   4          1HD2      LEU   4  14.117   0.351  -6.954
   43   2HD2  LEU   4          2HD2      LEU   4  12.708   1.074  -6.175
   44   3HD2  LEU   4          3HD2      LEU   4  13.244   1.661  -7.749
   45    H    PHE   5           H        PHE   5  11.886  -3.772  -4.817
   46    HA   PHE   5           HA       PHE   5   9.053  -4.430  -4.657
   47   1HB   PHE   5          2HB       PHE   5  11.063  -5.908  -5.230
   48   2HB   PHE   5          1HB       PHE   5  11.448  -5.890  -3.512
   49    HD1  PHE   5           HD1      PHE   5  11.156  -8.297  -3.273
   50    HD2  PHE   5           HD2      PHE   5   7.940  -5.818  -4.682
   51    HE1  PHE   5           HE1      PHE   5   9.555 -10.151  -2.892
   52    HE2  PHE   5           HE2      PHE   5   6.344  -7.671  -4.296
   53    HZ   PHE   5           HZ       PHE   5   7.149  -9.838  -3.403
   54    H    LYS   6           H        LYS   6   8.096  -3.049  -3.071
   55    HA   LYS   6           HA       LYS   6   8.523  -3.849  -0.283
   56   1HB   LYS   6          2HB       LYS   6   9.124  -1.500   0.403
   57   2HB   LYS   6          1HB       LYS   6  10.360  -2.283  -0.582
   58   1HG   LYS   6          2HG       LYS   6   9.191  -1.181  -2.601
   59   2HG   LYS   6          1HG       LYS   6   8.368  -0.171  -1.412
   60   1HD   LYS   6          2HD       LYS   6  11.068  -0.146  -0.640
   61   2HD   LYS   6          1HD       LYS   6  11.092   0.023  -2.395
   62   1HE   LYS   6          2HE       LYS   6  10.178   2.114  -2.319
   63   2HE   LYS   6          1HE       LYS   6   9.032   1.661  -1.043
   64   1HZ   LYS   6          1HZ       LYS   6  10.974   1.571   0.495
   65   2HZ   LYS   6          2HZ       LYS   6  10.620   3.130  -0.080
   66   3HZ   LYS   6          3HZ       LYS   6  11.924   2.257  -0.730
   67    H    LYS   7           H        LYS   7   7.060  -1.518  -2.535
   68    HA   LYS   7           HA       LYS   7   4.372  -2.022  -1.681
   69   1HB   LYS   7          2HB       LYS   7   4.050   0.129  -0.419
   70   2HB   LYS   7          1HB       LYS   7   5.142  -0.992   0.397
   71   1HG   LYS   7          2HG       LYS   7   6.860   0.461   0.253
   72   2HG   LYS   7          1HG       LYS   7   6.587   0.701  -1.473
   73   1HD   LYS   7          2HD       LYS   7   4.684   2.244  -0.880
   74   2HD   LYS   7          1HD       LYS   7   5.177   2.111   0.808
   75   1HE   LYS   7          2HE       LYS   7   7.494   2.706  -0.814
   76   2HE   LYS   7          1HE       LYS   7   6.220   3.901  -1.122
   77   1HZ   LYS   7          1HZ       LYS   7   6.157   4.548   1.045
   78   2HZ   LYS   7          2HZ       LYS   7   7.792   4.090   0.973
   79   3HZ   LYS   7          3HZ       LYS   7   6.639   3.035   1.640
   80    H    ILE   8           H        ILE   8   3.956  -1.852  -3.942
   81    HA   ILE   8           HA       ILE   8   4.216   0.918  -5.060
   82    HB   ILE   8           HB       ILE   8   4.512  -1.684  -6.578
   83   1HG1  ILE   8          2HG1      ILE   8   6.510  -0.022  -5.055
   84   2HG1  ILE   8          1HG1      ILE   8   6.348  -1.775  -5.114
   85   1HG2  ILE   8          1HG2      ILE   8   5.273   1.189  -7.188
   86   2HG2  ILE   8          2HG2      ILE   8   3.925   0.306  -7.904
   87   3HG2  ILE   8          3HG2      ILE   8   5.583  -0.192  -8.240
   88   1HD1  ILE   8          1HD1      ILE   8   8.320  -1.017  -6.407
   89   2HD1  ILE   8          2HD1      ILE   8   7.271  -0.026  -7.418
   90   3HD1  ILE   8          3HD1      ILE   8   7.125  -1.783  -7.451
   91    H    GLY   9           H        GLY   9   2.742  -2.143  -6.197
   92   1HA   GLY   9          2HA       GLY   9   0.198  -0.619  -6.562
   93   2HA   GLY   9          1HA       GLY   9   0.696  -1.954  -7.599
   94    H    ILE  10           H        ILE  10   1.645  -3.014  -4.714
   95    HA   ILE  10           HA       ILE  10  -0.862  -4.559  -4.306
   96    HB   ILE  10           HB       ILE  10   1.911  -4.839  -3.109
   97   1HG1  ILE  10          2HG1      ILE  10   0.654  -6.000  -5.607
   98   2HG1  ILE  10          1HG1      ILE  10   2.152  -5.079  -5.478
   99   1HG2  ILE  10          1HG2      ILE  10   1.194  -6.782  -2.141
  100   2HG2  ILE  10          2HG2      ILE  10   0.092  -7.155  -3.467
  101   3HG2  ILE  10          3HG2      ILE  10  -0.380  -5.990  -2.229
  102   1HD1  ILE  10          1HD1      ILE  10   2.529  -7.218  -3.728
  103   2HD1  ILE  10          2HD1      ILE  10   3.220  -7.067  -5.342
  104   3HD1  ILE  10          3HD1      ILE  10   1.706  -7.941  -5.109
  105    H    GLY  11           H        GLY  11   0.570  -1.782  -3.099
  106   1HA   GLY  11          2HA       GLY  11  -0.462  -2.208  -0.344
  107   2HA   GLY  11          1HA       GLY  11   0.632  -0.912  -0.824
  108    H    LYS  12           H        LYS  12  -1.367  -0.813  -3.286
  109    HA   LYS  12           HA       LYS  12  -2.991   1.352  -2.119
  110   1HB   LYS  12          2HB       LYS  12  -2.721   2.133  -4.226
  111   2HB   LYS  12          1HB       LYS  12  -1.795   0.685  -4.599
  112   1HG   LYS  12          2HG       LYS  12  -4.001  -0.471  -5.106
  113   2HG   LYS  12          1HG       LYS  12  -4.773   1.110  -4.974
  114   1HD   LYS  12          2HD       LYS  12  -4.300   0.783  -7.301
  115   2HD   LYS  12          1HD       LYS  12  -3.103   1.935  -6.709
  116   1HE   LYS  12          2HE       LYS  12  -1.820   0.372  -7.961
  117   2HE   LYS  12          1HE       LYS  12  -1.617  -0.174  -6.283
  118   1HZ   LYS  12          1HZ       LYS  12  -3.650  -1.569  -6.653
  119   2HZ   LYS  12          2HZ       LYS  12  -2.284  -2.060  -7.534
  120   3HZ   LYS  12          3HZ       LYS  12  -3.534  -1.204  -8.305
  121    H    PHE  13           H        PHE  13  -3.339  -1.925  -2.217
  122    HA   PHE  13           HA       PHE  13  -5.948  -2.412  -3.210
  123   1HB   PHE  13          2HB       PHE  13  -4.217  -4.080  -2.612
  124   2HB   PHE  13          1HB       PHE  13  -4.454  -3.700  -0.909
  125    HD1  PHE  13           HD1      PHE  13  -7.182  -3.772  -3.413
  126    HD2  PHE  13           HD2      PHE  13  -5.229  -5.882  -0.222
  127    HE1  PHE  13           HE1      PHE  13  -9.063  -5.382  -3.328
  128    HE2  PHE  13           HE2      PHE  13  -7.112  -7.493  -0.137
  129    HZ   PHE  13           HZ       PHE  13  -9.029  -7.244  -1.690
  130    H    LEU  14           H        LEU  14  -5.943  -3.226   0.103
  131    HA   LEU  14           HA       LEU  14  -8.412  -1.904   0.633
  132   1HB   LEU  14          2HB       LEU  14  -6.249  -2.994   2.458
  133   2HB   LEU  14          1HB       LEU  14  -7.863  -2.546   3.002
  134    HG   LEU  14           HG       LEU  14  -7.007  -4.863   1.301
  135   1HD1  LEU  14          1HD1      LEU  14  -8.476  -6.076   2.755
  136   2HD1  LEU  14          2HD1      LEU  14  -9.236  -4.594   3.333
  137   3HD1  LEU  14          3HD1      LEU  14  -7.572  -4.965   3.783
  138   1HD2  LEU  14          1HD2      LEU  14  -8.577  -3.889  -0.210
  139   2HD2  LEU  14          2HD2      LEU  14  -9.645  -3.390   1.102
  140   3HD2  LEU  14          3HD2      LEU  14  -9.495  -5.097   0.687
  141    H    HIS  15           H        HIS  15  -5.278  -0.635   0.465
  142    HA   HIS  15           HA       HIS  15  -5.422   1.408   2.497
  143   1HB   HIS  15          2HB       HIS  15  -3.492   0.366   1.010
  144   2HB   HIS  15          1HB       HIS  15  -3.909   1.689  -0.076
  145    HD1  HIS  15           HD1      HIS  15  -3.968   4.147   1.154
  146    HD2  HIS  15           HD2      HIS  15  -1.826   1.134   3.079
  147    HE1  HIS  15           HE1      HIS  15  -2.451   5.301   2.824
  148    H    SER  16           H        SER  16  -5.782   1.623  -1.069
  149    HA   SER  16           HA       SER  16  -6.951   4.295  -0.911
  150   1HB   SER  16          2HB       SER  16  -5.701   2.684  -2.814
  151   2HB   SER  16          1HB       SER  16  -7.367   2.775  -3.378
  152    HG   SER  16           HG       SER  16  -5.548   4.571  -3.715
  153    H    ALA  17           H        ALA  17  -8.154   1.209  -0.344
  154    HA   ALA  17           HA       ALA  17 -10.851   1.621  -1.442
  155   1HB   ALA  17          1HB       ALA  17 -11.210  -0.566  -0.209
  156   2HB   ALA  17          2HB       ALA  17  -9.539  -0.449   0.342
  157   3HB   ALA  17          3HB       ALA  17  -9.890  -0.602  -1.379
  158    H    LYS  18           H        LYS  18  -9.519   1.175   1.868
  159    HA   LYS  18           HA       LYS  18 -11.923   2.009   3.207
  160   1HB   LYS  18          2HB       LYS  18  -9.171   1.230   3.807
  161   2HB   LYS  18          1HB       LYS  18  -9.756   2.484   4.902
  162   1HG   LYS  18          2HG       LYS  18 -10.296   0.266   5.802
  163   2HG   LYS  18          1HG       LYS  18 -11.775   1.118   5.363
  164   1HD   LYS  18          2HD       LYS  18 -11.303  -0.109   3.021
  165   2HD   LYS  18          1HD       LYS  18 -10.512  -1.263   4.094
  166   1HE   LYS  18          2HE       LYS  18 -13.289  -0.250   4.722
  167   2HE   LYS  18          1HE       LYS  18 -13.044  -1.621   3.622
  168   1HZ   LYS  18          1HZ       LYS  18 -13.163  -1.950   6.228
  169   2HZ   LYS  18          2HZ       LYS  18 -11.509  -1.585   6.106
  170   3HZ   LYS  18          3HZ       LYS  18 -12.156  -2.905   5.254
  171    H    LYS  19           H        LYS  19  -9.298   3.698   1.754
  172    HA   LYS  19           HA       LYS  19  -9.782   6.240   3.156
  173   1HB   LYS  19          2HB       LYS  19  -7.580   5.240   2.224
  174   2HB   LYS  19          1HB       LYS  19  -8.168   5.766   0.646
  175   1HG   LYS  19          2HG       LYS  19  -6.938   7.628   1.327
  176   2HG   LYS  19          1HG       LYS  19  -8.560   8.059   1.872
  177   1HD   LYS  19          2HD       LYS  19  -8.074   7.578   4.114
  178   2HD   LYS  19          1HD       LYS  19  -6.708   6.545   3.698
  179   1HE   LYS  19          2HE       LYS  19  -5.335   8.323   3.987
  180   2HE   LYS  19          1HE       LYS  19  -6.151   9.137   2.637
  181   1HZ   LYS  19          1HZ       LYS  19  -7.996   9.435   4.471
  182   2HZ   LYS  19          2HZ       LYS  19  -6.721  10.547   4.311
  183   3HZ   LYS  19          3HZ       LYS  19  -6.659   9.346   5.511
  184    H    PHE  20           H        PHE  20 -10.184   4.976  -0.164
  185    HA   PHE  20           HA       PHE  20 -11.989   7.278  -0.782
  186   1HB   PHE  20          2HB       PHE  20  -9.826   6.518  -2.082
  187   2HB   PHE  20          1HB       PHE  20 -10.896   5.295  -2.763
  188    HD1  PHE  20           HD1      PHE  20 -13.460   7.000  -2.671
  189    HD2  PHE  20           HD2      PHE  20  -9.483   7.825  -4.072
  190    HE1  PHE  20           HE1      PHE  20 -14.365   8.684  -4.247
  191    HE2  PHE  20           HE2      PHE  20 -10.391   9.512  -5.648
  192    HZ   PHE  20           HZ       PHE  20 -12.832   9.941  -5.735
  193   1HN   NH2  21          1HN       NH2  21 -12.701   5.101  -3.100
  194   2HN   NH2  21          2HN       NH2  21 -13.987   4.258  -2.383