*HEADER    MEMBRANE PROTEIN                        28-OCT-99   1D9M              
*TITLE     SOLUTION STRUCTURE OF CECROPIN A(1-8)-MAGAININ 2 HYBRID               
*TITLE    2 PEPTIDE ANALOGUE(P2)                                                 
*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    HELIX-HINGE-HELIX                                                     
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    D.OH, Y.KIM                                                           
*REVDAT   1   12-NOV-99 1D9M    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   ) 3.0 1.2 0.3 
assign (resid    6 and  name HN   )(resid    5 and  name HN   ) 3.0 1.2 0.3 
assign (resid    7 and  name HN   )(resid    6 and  name HN   ) 3.0 1.2 0.3 
assign (resid   10 and  name HN   )(resid   11 and  name HN   ) 3.0 1.2 0.3 
assign (resid   12 and  name HN   )(resid   11 and  name HN   ) 2.5 0.7 0.2 
assign (resid   12 and  name HN   )(resid   13 and  name HN   ) 3.0 1.2 0.3 
assign (resid   14 and  name HN   )(resid   15 and  name HN   ) 3.0 1.2 0.3 
assign (resid   15 and  name HN   )(resid   16 and  name HN   ) 3.0 1.2 0.3 
assign (resid   16 and  name HN   )(resid   17 and  name HN   ) 3.0 1.2 0.3 
assign (resid   17 and  name HN   )(resid   18 and  name HN   ) 3.0 1.2 0.3 
!  
assign (resid    4 and  name HN   )(resid    3 and  name HA   ) 3.0 1.2 0.3 
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   ) 3.0 1.2 0.3 
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   ) 4.0 2.2 1.0 
assign (resid   11 and  name HN   )(resid   10 and  name HA   ) 4.0 2.2 1.0 
assign (resid   12 and  name HN   )(resid   11 and  name HA   ) 4.0 2.2 1.0 
assign (resid   13 and  name HN   )(resid   12 and  name HA   ) 4.0 2.2 1.0 
assign (resid   14 and  name HN   )(resid   13 and  name HA   ) 4.0 2.2 1.0 
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   ) 4.0 2.2 1.0 
assign (resid   18 and  name HN   )(resid   17 and  name HA   ) 4.0 2.2 1.0 
! 
assign (resid    3 and  name HN   )(resid    2 and  name HB#  ) 4.0 2.2 2.0  
assign (resid    4 and  name HN   )(resid    3 and  name HB#  ) 3.0 1.2 1.3  
assign (resid    5 and  name HN   )(resid    4 and  name HB#  ) 4.0 2.2 2.0  
assign (resid    6 and  name HN   )(resid    5 and  name HB1  ) 3.0 1.2 0.3  
assign (resid    6 and  name HN   )(resid    5 and  name HB2  ) 4.0 2.2 1.0  
assign (resid    8 and  name HN   )(resid    7 and  name HB#  ) 3.0 1.2 1.3  
assign (resid   11 and  name HN   )(resid   10 and  name HB#  ) 3.0 1.2 1.3  
assign (resid   12 and  name HN   )(resid   11 and  name HB#  ) 4.0 2.2 2.0 
assign (resid   13 and  name HN   )(resid   12 and  name HB#  ) 4.0 2.2 2.0 
assign (resid   14 and  name HN   )(resid   13 and  name HB#  ) 3.0 1.2 1.3 
assign (resid   15 and  name HN   )(resid   14 and  name HB#  ) 3.0 1.2 1.3 
assign (resid   16 and  name HN   )(resid   15 and  name HB#  ) 3.0 1.2 1.3 
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    2 and  name HD1  )(resid    3 and  name HB#  ) 4.0 2.2 2.0 
assign (resid    3 and  name HD1# )(resid    2 and  name HD1  ) 4.0 2.2 2.0 
assign (resid    5 and  name HN   )(resid    4 and  name HG   ) 4.0 2.2 1.0 
assign (resid    8 and  name HN   )(resid    7 and  name HG#  ) 3.0 1.2 1.3 
assign (resid    8 and  name HN   )(resid    9 and  name HD1  ) 4.0 2.2 1.0 
assign (resid    8 and  name HN   )(resid    9 and  name HD2  ) 4.0 2.2 1.0 
assign (resid    9 and  name HD1  )(resid    8 and  name HA   ) 4.0 2.2 1.0 
assign (resid    9 and  name HD2  )(resid    8 and  name HA   ) 4.0 2.2 1.0 
assign (resid    8 and  name HD1# )(resid    9 and  name HD1  ) 4.0 2.2 1.0 
assign (resid    8 and  name HD1# )(resid    9 and  name HD2  ) 4.0 2.2 1.0 
assign (resid   11 and  name HD#  )(resid   12 and  name HD1# ) 2.5 0.7 3.7 
assign (resid   11 and  name HD#  )(resid   15 and  name HB#  ) 4.0 2.2 4.5 
assign (resid   13 and  name HN   )(resid   12 and  name HG   ) 4.0 2.2 1.0 
!  
assign (resid    5 and  name HN   )(resid    3 and  name HA   ) 4.0 2.2 1.0 
assign (resid    6 and  name HN   )(resid    4 and  name HA   ) 4.0 2.2 1.0 
assign (resid    7 and  name HN   )(resid    5 and  name HA   ) 4.0 2.2 1.0 
assign (resid    8 and  name HN   )(resid    6 and  name HA   ) 4.0 2.2 1.0 
assign (resid   12 and  name HN   )(resid   10 and  name HA   ) 4.0 2.2 1.0 
assign (resid   13 and  name HN   )(resid   11 and  name HA   ) 4.0 2.2 1.0 
assign (resid   14 and  name HN   )(resid   12 and  name HA   ) 4.0 2.2 1.0 
assign (resid   15 and  name HN   )(resid   13 and  name HA   ) 4.0 2.2 1.0 
assign (resid   16 and  name HN   )(resid   14 and  name HA   ) 4.0 2.2 1.0 
assign (resid   17 and  name HN   )(resid   15 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    6 and  name HN   )(resid    3 and  name HA   ) 4.0 2.2 1.0 
assign (resid    7 and  name HN   )(resid    4 and  name HA   ) 4.0 2.2 1.0 
assign (resid    8 and  name HN   )(resid    5 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   14 and  name HN   )(resid   11 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   16 and  name HN   )(resid   13 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    8 and  name HB#  )(resid    5 and  name HA   ) 4.0 2.2 2.0 
assign (resid   11 and  name HB#  )(resid    9 and  name HA   ) 3.0 1.2 1.3 
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   14 and  name HB#  )(resid   11 and  name HA   ) 4.0 2.2 2.0 
assign (resid   15 and  name HB#  )(resid   12 and  name HA   ) 3.0 1.2 1.3 
assign (resid   16 and  name HB#  )(resid   13 and  name HA   ) 4.0 2.2 2.0 
assign (resid   17 and  name HB#  )(resid   14 and  name HA   ) 4.0 2.2 2.0 
! 
assign (resid    2 and  name HE3  )(resid    2 and  name HB#  ) 2.5 0.7 1.2 
assign (resid    2 and  name HD1  )(resid    2 and  name HB#  ) 3.0 1.2 1.3 
assign (resid    3 and  name HN   )(resid    3 and  name HB#  ) 4.0 2.2 2.0 
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 HB#  ) 2.5 0.7 1.2 
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 HD1# ) 4.0 2.2 2.5  
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#  ) 4.0 2.2 3.0 
assign (resid    6 and  name HN   )(resid    6 and  name HB#  ) 2.5 0.7 1.2 
assign (resid    6 and  name HN   )(resid    6 and  name HG#  ) 3.0 1.2 1.3 
assign (resid    6 and  name HN   )(resid    6 and  name HD#  ) 4.0 2.2 2.0 
assign (resid    7 and  name HN   )(resid    7 and  name HB#  ) 3.0 1.2 1.3 
assign (resid    7 and  name HN   )(resid    7 and  name HG#  ) 3.0 1.2 1.3 
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 HG1# ) 4.0 2.2 2.5 
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 2.0 
assign (resid   10 and  name HN   )(resid   10 and  name HB#  ) 3.0 1.2 1.3 
assign (resid   11 and  name HN   )(resid   11 and  name HB#  ) 2.5 0.7 1.2 
assign (resid   11 and  name HN   )(resid   11 and  name HD#  ) 4.0 2.2 3.0 
assign (resid   12 and  name HN   )(resid   12 and  name HB#  ) 3.0 1.2 1.3 
assign (resid   12 and  name HN   )(resid   12 and  name HG   ) 4.0 2.2 1.0 
assign (resid   12 and  name HN   )(resid   12 and  name HD1# ) 4.0 2.2 2.5 
assign (resid   13 and  name HN   )(resid   13 and  name HB#  ) 2.5 0.7 1.2 
assign (resid   14 and  name HN   )(resid   14 and  name HB#  ) 3.0 1.2 1.3 
assign (resid   15 and  name HN   )(resid   15 and  name HB#  ) 2.5 0.7 1.7  
assign (resid   16 and  name HN   )(resid   16 and  name HB#  ) 2.5 0.7 1.2 
assign (resid   16 and  name HN   )(resid   16 and  name HG#  ) 3.0 1.2 1.3 
assign (resid   17 and  name HN   )(resid   17 and  name HB#  ) 3.0 1.2 1.3 
assign (resid   17 and  name HN   )(resid   17 and  name HG#  ) 4.0 2.2 2.0 
assign (resid   18 and  name HN   )(resid   18 and  name HB2  ) 3.0 1.2 0.3 
assign (resid   18 and  name HN   )(resid   18 and  name HB1  ) 3.0 1.2 0.3 
assign (resid   18 and  name HD#  )(resid   18 and  name HB2  ) 3.0 1.2 2.3 
assign (resid   18 and  name HD#  )(resid   18 and  name HB1  ) 3.0 1.2 2.3 
assign (resid   18 and  name HN   )(resid   18 and  name H1   ) 3.0 1.2 0.3 
assign (resid   18 and  name HN   )(resid   18 and  name H2   ) 4.0 2.2 1.0 
! 
assign (resid    5 and  name N    )(resid    2 and  name O    ) 3.3 0.8 0.2
assign (resid    7 and  name N    )(resid    4 and  name O    ) 3.3 0.8 0.2
assign (resid   13 and  name N    )(resid   10 and  name O    ) 3.3 0.8 0.2
assign (resid   14 and  name N    )(resid   11 and  name O    ) 3.3 0.8 0.2
assign (resid   16 and  name N    )(resid   13 and  name O    ) 3.3 0.8 0.2
assign (resid   17 and  name N    )(resid   14 and  name O    ) 3.3 0.8 0.2
assign (resid   18 and  name N    )(resid   15 and  name O    ) 3.3 0.8 0.2
assign (resid    5 and  name HN   )(resid    2 and  name O    ) 2.3 0.8 0.2
assign (resid    7 and  name HN   )(resid    4 and  name O    ) 2.3 0.8 0.2
assign (resid   13 and  name HN   )(resid   10 and  name O    ) 2.3 0.8 0.2
assign (resid   14 and  name HN   )(resid   11 and  name O    ) 2.3 0.8 0.2
assign (resid   16 and  name HN   )(resid   13 and  name O    ) 2.3 0.8 0.2
assign (resid   17 and  name HN   )(resid   14 and  name O    ) 2.3 0.8 0.2
assign (resid   18 and  name HN   )(resid   15 and  name O    ) 2.3 0.8 0.2
!
!!Phi
  !!    2
 assign (resid   1 and name c )   (resid   2 and name n ) 
        (resid   2 and name ca)   (resid   2 and name c )  1.0 -105.0 60.0 2
  !!    3
 assign (resid   2 and name c )   (resid   3 and name n ) 
        (resid   3 and name ca)   (resid   3 and name c )  1.0 -105.0 60.0 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 -60.0 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 -60.0 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 -105.0 60.0 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 -105.0 60.0 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 -105.0 60.0 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
  !!    11 
 assign (resid   10 and name c )   (resid   11 and name n ) 
        (resid   11 and name ca)   (resid   11 and name c )  1.0 -60.0 25.0 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 -60.0 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 -105.0 60.0 2
                                                

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    LYS   1          1H        LYS   1  16.704  -0.687   1.711
    2   2H    LYS   1          2H        LYS   1  15.485  -1.675   2.366
    3   3H    LYS   1          3H        LYS   1  16.658  -0.981   3.380
    4    HA   LYS   1           HA       LYS   1  14.499   0.189   3.510
    5   1HB   LYS   1          2HB       LYS   1  16.474   1.363   4.131
    6   2HB   LYS   1          1HB       LYS   1  17.031   1.467   2.459
    7   1HG   LYS   1          2HG       LYS   1  15.402   3.095   1.898
    8   2HG   LYS   1          1HG       LYS   1  14.451   2.758   3.344
    9   1HD   LYS   1          2HD       LYS   1  16.982   3.457   4.316
   10   2HD   LYS   1          1HD       LYS   1  16.675   4.597   3.005
   11   1HE   LYS   1          2HE       LYS   1  14.491   4.022   4.997
   12   2HE   LYS   1          1HE       LYS   1  15.776   5.176   5.406
   13   1HZ   LYS   1          1HZ       LYS   1  13.908   5.252   3.110
   14   2HZ   LYS   1          2HZ       LYS   1  15.356   6.139   3.112
   15   3HZ   LYS   1          3HZ       LYS   1  14.169   6.443   4.287
   16    H    TRP   2           H        TRP   2  12.881  -0.356   1.940
   17    HA   TRP   2           HA       TRP   2  13.070   1.197  -0.619
   18   1HB   TRP   2          2HB       TRP   2  12.493  -1.640  -0.004
   19   2HB   TRP   2          1HB       TRP   2  11.399  -0.901  -1.169
   20    HD1  TRP   2           HD1      TRP   2  13.975   1.085  -2.155
   21    HE1  TRP   2           HE1      TRP   2  15.575   0.038  -3.878
   22    HE3  TRP   2           HE3      TRP   2  12.861  -3.856  -1.507
   23    HZ2  TRP   2           HZ2      TRP   2  16.288  -2.551  -4.860
   24    HZ3  TRP   2           HZ3      TRP   2  14.012  -5.590  -2.853
   25    HH2  TRP   2           HH2      TRP   2  15.723  -4.945  -4.528
   26    H    LYS   3           H        LYS   3  11.496   2.742  -0.662
   27    HA   LYS   3           HA       LYS   3   9.404   3.001   1.242
   28   1HB   LYS   3          2HB       LYS   3  10.000   4.091  -1.501
   29   2HB   LYS   3          1HB       LYS   3   8.500   4.532  -0.684
   30   1HG   LYS   3          2HG       LYS   3   9.620   6.063   0.520
   31   2HG   LYS   3          1HG       LYS   3  10.605   4.776   1.217
   32   1HD   LYS   3          2HD       LYS   3  12.279   5.995   0.202
   33   2HD   LYS   3          1HD       LYS   3  11.832   4.956  -1.152
   34   1HE   LYS   3          2HE       LYS   3  10.037   7.161  -1.206
   35   2HE   LYS   3          1HE       LYS   3  11.670   7.824  -0.995
   36   1HZ   LYS   3          1HZ       LYS   3  10.599   6.187  -3.173
   37   2HZ   LYS   3          2HZ       LYS   3  12.219   5.937  -2.725
   38   3HZ   LYS   3          3HZ       LYS   3  11.703   7.474  -3.233
   39    H    LEU   4           H        LEU   4   9.673   0.971  -1.496
   40    HA   LEU   4           HA       LEU   4   6.820   0.681  -2.031
   41   1HB   LEU   4          2HB       LEU   4   9.415  -0.493  -2.933
   42   2HB   LEU   4          1HB       LEU   4   7.947  -1.418  -3.253
   43    HG   LEU   4           HG       LEU   4   7.397   1.294  -3.914
   44   1HD1  LEU   4          1HD1      LEU   4   9.113   1.930  -5.397
   45   2HD1  LEU   4          2HD1      LEU   4   9.791   0.304  -5.455
   46   3HD1  LEU   4          3HD1      LEU   4   9.997   1.293  -4.011
   47   1HD2  LEU   4          1HD2      LEU   4   6.435  -0.810  -4.897
   48   2HD2  LEU   4          2HD2      LEU   4   7.965  -1.072  -5.733
   49   3HD2  LEU   4          3HD2      LEU   4   6.979   0.338  -6.118
   50    H    PHE   5           H        PHE   5   9.198  -0.867  -0.027
   51    HA   PHE   5           HA       PHE   5   8.024  -3.368   0.485
   52   1HB   PHE   5          2HB       PHE   5  10.130  -1.803   1.429
   53   2HB   PHE   5          1HB       PHE   5   9.135  -2.090   2.858
   54    HD1  PHE   5           HD1      PHE   5  11.952  -3.284   1.606
   55    HD2  PHE   5           HD2      PHE   5   7.968  -4.720   2.321
   56    HE1  PHE   5           HE1      PHE   5  12.813  -5.608   1.738
   57    HE2  PHE   5           HE2      PHE   5   8.828  -7.043   2.453
   58    HZ   PHE   5           HZ       PHE   5  11.251  -7.487   2.160
   59    H    LYS   6           H        LYS   6   6.888  -0.252   1.353
   60    HA   LYS   6           HA       LYS   6   4.796  -1.507   3.103
   61   1HB   LYS   6          2HB       LYS   6   6.322   1.104   3.328
   62   2HB   LYS   6          1HB       LYS   6   4.859   0.780   4.258
   63   1HG   LYS   6          2HG       LYS   6   5.962  -1.301   5.141
   64   2HG   LYS   6          1HG       LYS   6   7.448  -0.794   4.335
   65   1HD   LYS   6          2HD       LYS   6   6.599   1.480   5.733
   66   2HD   LYS   6          1HD       LYS   6   6.313   0.142   6.846
   67   1HE   LYS   6          2HE       LYS   6   8.768  -0.560   5.944
   68   2HE   LYS   6          1HE       LYS   6   8.885   1.206   5.801
   69   1HZ   LYS   6          1HZ       LYS   6   9.278  -0.052   8.097
   70   2HZ   LYS   6          2HZ       LYS   6   7.596   0.160   8.199
   71   3HZ   LYS   6          3HZ       LYS   6   8.615   1.507   8.016
   72    H    LYS   7           H        LYS   7   4.697  -0.983   0.186
   73    HA   LYS   7           HA       LYS   7   2.437   0.971   0.176
   74   1HB   LYS   7          2HB       LYS   7   4.609   1.931  -0.592
   75   2HB   LYS   7          1HB       LYS   7   4.681   0.692  -1.846
   76   1HG   LYS   7          2HG       LYS   7   3.440   2.006  -3.162
   77   2HG   LYS   7          1HG       LYS   7   2.113   1.854  -2.010
   78   1HD   LYS   7          2HD       LYS   7   2.570   3.880  -1.000
   79   2HD   LYS   7          1HD       LYS   7   4.296   3.778  -1.347
   80   1HE   LYS   7          2HE       LYS   7   3.896   5.247  -3.037
   81   2HE   LYS   7          1HE       LYS   7   3.107   3.898  -3.878
   82   1HZ   LYS   7          1HZ       LYS   7   1.044   4.550  -3.205
   83   2HZ   LYS   7          2HZ       LYS   7   1.784   6.078  -3.267
   84   3HZ   LYS   7          3HZ       LYS   7   1.602   5.279  -1.779
   85    H    ILE   8           H        ILE   8   3.956  -1.902  -1.234
   86    HA   ILE   8           HA       ILE   8   2.178  -2.351  -3.405
   87    HB   ILE   8           HB       ILE   8   3.878  -4.086  -1.622
   88   1HG1  ILE   8          2HG1      ILE   8   4.651  -4.288  -4.289
   89   2HG1  ILE   8          1HG1      ILE   8   4.161  -2.600  -4.121
   90   1HG2  ILE   8          1HG2      ILE   8   2.062  -4.921  -3.893
   91   2HG2  ILE   8          2HG2      ILE   8   2.144  -5.598  -2.266
   92   3HG2  ILE   8          3HG2      ILE   8   3.460  -5.878  -3.406
   93   1HD1  ILE   8          1HD1      ILE   8   5.740  -3.583  -1.849
   94   2HD1  ILE   8          2HD1      ILE   8   5.930  -2.106  -2.793
   95   3HD1  ILE   8          3HD1      ILE   8   6.619  -3.621  -3.377
   96    HA   PRO   9           HA       PRO   9  -0.435  -5.136  -0.470
   97   1HB   PRO   9          2HB       PRO   9  -0.066  -4.792   2.225
   98   2HB   PRO   9          1HB       PRO   9   0.830  -5.989   1.266
   99   1HG   PRO   9          2HG       PRO   9   1.670  -3.256   2.133
  100   2HG   PRO   9          1HG       PRO   9   2.586  -4.775   2.161
  101   1HD   PRO   9          2HD       PRO   9   2.963  -2.952   0.236
  102   2HD   PRO   9          1HD       PRO   9   3.046  -4.696  -0.104
  103    H    LYS  10           H        LYS  10  -1.123  -2.704  -1.470
  104    HA   LYS  10           HA       LYS  10  -2.449  -1.183   0.734
  105   1HB   LYS  10          2HB       LYS  10  -0.955  -0.394  -1.434
  106   2HB   LYS  10          1HB       LYS  10  -2.596  -0.218  -2.054
  107   1HG   LYS  10          2HG       LYS  10  -2.878   0.872   0.430
  108   2HG   LYS  10          1HG       LYS  10  -1.210   1.313   0.066
  109   1HD   LYS  10          2HD       LYS  10  -2.905   1.722  -2.251
  110   2HD   LYS  10          1HD       LYS  10  -3.528   2.606  -0.858
  111   1HE   LYS  10          2HE       LYS  10  -1.880   4.143  -1.061
  112   2HE   LYS  10          1HE       LYS  10  -0.646   2.871  -0.975
  113   1HZ   LYS  10          1HZ       LYS  10  -1.013   4.246  -3.169
  114   2HZ   LYS  10          2HZ       LYS  10  -2.236   3.095  -3.423
  115   3HZ   LYS  10          3HZ       LYS  10  -0.623   2.597  -3.222
  116    H    PHE  11           H        PHE  11  -3.274  -3.841  -0.705
  117    HA   PHE  11           HA       PHE  11  -5.608  -3.372  -2.274
  118   1HB   PHE  11          2HB       PHE  11  -4.543  -5.542  -2.143
  119   2HB   PHE  11          1HB       PHE  11  -4.772  -5.604  -0.395
  120    HD1  PHE  11           HD1      PHE  11  -6.341  -7.264   0.125
  121    HD2  PHE  11           HD2      PHE  11  -7.053  -4.658  -3.216
  122    HE1  PHE  11           HE1      PHE  11  -8.575  -8.294  -0.204
  123    HE2  PHE  11           HE2      PHE  11  -9.284  -5.690  -3.544
  124    HZ   PHE  11           HZ       PHE  11 -10.045  -7.506  -2.039
  125    H    LEU  12           H        LEU  12  -5.094  -3.482   1.223
  126    HA   LEU  12           HA       LEU  12  -7.840  -3.532   2.044
  127   1HB   LEU  12          2HB       LEU  12  -5.175  -3.199   3.132
  128   2HB   LEU  12          1HB       LEU  12  -6.296  -2.081   3.909
  129    HG   LEU  12           HG       LEU  12  -7.868  -4.172   4.054
  130   1HD1  LEU  12          1HD1      LEU  12  -6.161  -5.484   2.615
  131   2HD1  LEU  12          2HD1      LEU  12  -6.816  -6.292   4.038
  132   3HD1  LEU  12          3HD1      LEU  12  -5.202  -5.586   4.091
  133   1HD2  LEU  12          1HD2      LEU  12  -7.323  -3.589   6.178
  134   2HD2  LEU  12          2HD2      LEU  12  -5.661  -3.203   5.733
  135   3HD2  LEU  12          3HD2      LEU  12  -6.116  -4.871   6.079
  136    H    HIS  13           H        HIS  13  -5.736  -0.956   0.905
  137    HA   HIS  13           HA       HIS  13  -7.300   1.265   1.889
  138   1HB   HIS  13          2HB       HIS  13  -4.934   1.381   1.196
  139   2HB   HIS  13          1HB       HIS  13  -5.397   0.990  -0.463
  140    HD1  HIS  13           HD1      HIS  13  -7.454   2.756  -1.332
  141    HD2  HIS  13           HD2      HIS  13  -4.725   4.103   1.512
  142    HE1  HIS  13           HE1      HIS  13  -7.552   5.286  -1.392
  143    H    SER  14           H        SER  14  -7.485  -0.774  -0.986
  144    HA   SER  14           HA       SER  14  -9.143   0.867  -2.615
  145   1HB   SER  14          2HB       SER  14  -8.105  -1.042  -3.562
  146   2HB   SER  14          1HB       SER  14  -8.703  -2.092  -2.281
  147    HG   SER  14           HG       SER  14 -10.430  -2.383  -3.426
  148    H    ALA  15           H        ALA  15 -10.058  -1.732  -0.398
  149    HA   ALA  15           HA       ALA  15 -12.891  -1.398  -0.644
  150   1HB   ALA  15          1HB       ALA  15 -12.949  -3.050   0.996
  151   2HB   ALA  15          2HB       ALA  15 -11.586  -2.361   1.880
  152   3HB   ALA  15          3HB       ALA  15 -11.307  -3.259   0.387
  153    H    LYS  16           H        LYS  16 -10.494   0.352   1.203
  154    HA   LYS  16           HA       LYS  16 -11.989   1.412   3.335
  155   1HB   LYS  16          2HB       LYS  16  -9.583   1.727   2.979
  156   2HB   LYS  16          1HB       LYS  16  -9.904   2.692   1.538
  157   1HG   LYS  16          2HG       LYS  16  -9.724   4.427   3.009
  158   2HG   LYS  16          1HG       LYS  16 -11.414   4.037   3.328
  159   1HD   LYS  16          2HD       LYS  16 -10.832   3.695   5.479
  160   2HD   LYS  16          1HD       LYS  16  -9.962   2.260   4.935
  161   1HE   LYS  16          2HE       LYS  16  -8.213   4.340   4.311
  162   2HE   LYS  16          1HE       LYS  16  -8.885   4.808   5.886
  163   1HZ   LYS  16          1HZ       LYS  16  -8.167   2.000   5.435
  164   2HZ   LYS  16          2HZ       LYS  16  -8.162   2.895   6.879
  165   3HZ   LYS  16          3HZ       LYS  16  -6.918   3.104   5.741
  166    H    LYS  17           H        LYS  17 -12.315   2.007  -0.082
  167    HA   LYS  17           HA       LYS  17 -13.754   4.554   0.236
  168   1HB   LYS  17          2HB       LYS  17 -12.231   3.716  -1.693
  169   2HB   LYS  17          1HB       LYS  17 -13.640   2.790  -2.211
  170   1HG   LYS  17          2HG       LYS  17 -14.923   5.039  -2.019
  171   2HG   LYS  17          1HG       LYS  17 -13.322   5.780  -2.029
  172   1HD   LYS  17          2HD       LYS  17 -12.896   4.303  -4.126
  173   2HD   LYS  17          1HD       LYS  17 -14.652   4.152  -4.185
  174   1HE   LYS  17          2HE       LYS  17 -14.913   6.566  -4.347
  175   2HE   LYS  17          1HE       LYS  17 -13.169   6.804  -4.117
  176   1HZ   LYS  17          1HZ       LYS  17 -14.051   6.695  -6.509
  177   2HZ   LYS  17          2HZ       LYS  17 -14.196   5.025  -6.237
  178   3HZ   LYS  17          3HZ       LYS  17 -12.678   5.777  -6.126
  179    H    PHE  18           H        PHE  18 -14.575   1.196  -0.688
  180    HA   PHE  18           HA       PHE  18 -17.443   1.837  -0.071
  181   1HB   PHE  18          2HB       PHE  18 -17.161   1.584  -2.445
  182   2HB   PHE  18          1HB       PHE  18 -16.151   0.154  -2.233
  183    HD1  PHE  18           HD1      PHE  18 -17.134  -1.999  -1.545
  184    HD2  PHE  18           HD2      PHE  18 -19.577   1.467  -2.231
  185    HE1  PHE  18           HE1      PHE  18 -19.153  -3.436  -1.620
  186    HE2  PHE  18           HE2      PHE  18 -21.596   0.030  -2.305
  187    HZ   PHE  18           HZ       PHE  18 -21.384  -2.423  -2.000
  188   1HN   NH2  19          1HN       NH2  19 -14.907  -0.711  -0.064
  189   2HN   NH2  19          2HN       NH2  19 -15.653  -1.684   1.109
  Start of MODEL    2
    1   1H    LYS   1          1H        LYS   1  14.646   1.680   0.202
    2   2H    LYS   1          2H        LYS   1  13.048   1.445   0.730
    3   3H    LYS   1          3H        LYS   1  13.387   1.569  -0.930
    4    HA   LYS   1           HA       LYS   1  13.075  -0.728  -0.539
    5   1HB   LYS   1          2HB       LYS   1  15.300   0.429  -1.595
    6   2HB   LYS   1          1HB       LYS   1  16.038  -0.589  -0.358
    7   1HG   LYS   1          2HG       LYS   1  15.787  -2.364  -1.714
    8   2HG   LYS   1          1HG       LYS   1  14.038  -2.158  -1.612
    9   1HD   LYS   1          2HD       LYS   1  14.520  -0.244  -3.405
   10   2HD   LYS   1          1HD       LYS   1  15.934  -1.245  -3.738
   11   1HE   LYS   1          2HE       LYS   1  14.083  -3.194  -3.684
   12   2HE   LYS   1          1HE       LYS   1  13.046  -1.847  -4.189
   13   1HZ   LYS   1          1HZ       LYS   1  15.667  -2.506  -5.423
   14   2HZ   LYS   1          2HZ       LYS   1  14.582  -1.304  -5.933
   15   3HZ   LYS   1          3HZ       LYS   1  14.166  -2.945  -6.080
   16    H    TRP   2           H        TRP   2  12.550   0.024   2.058
   17    HA   TRP   2           HA       TRP   2  13.999  -2.045   3.594
   18   1HB   TRP   2          2HB       TRP   2  15.411  -0.033   3.739
   19   2HB   TRP   2          1HB       TRP   2  14.035   0.904   4.316
   20    HD1  TRP   2           HD1      TRP   2  13.459   0.782   6.829
   21    HE1  TRP   2           HE1      TRP   2  14.462  -0.466   8.849
   22    HE3  TRP   2           HE3      TRP   2  16.658  -2.383   4.415
   23    HZ2  TRP   2           HZ2      TRP   2  16.365  -2.530   9.374
   24    HZ3  TRP   2           HZ3      TRP   2  18.055  -3.976   5.700
   25    HH2  TRP   2           HH2      TRP   2  17.913  -4.054   8.175
   26    H    LYS   3           H        LYS   3  12.477   0.624   5.258
   27    HA   LYS   3           HA       LYS   3  10.472  -1.137   6.424
   28   1HB   LYS   3          2HB       LYS   3  11.677   1.447   6.853
   29   2HB   LYS   3          1HB       LYS   3   9.923   1.602   6.940
   30   1HG   LYS   3          2HG       LYS   3   9.945   0.684   8.991
   31   2HG   LYS   3          1HG       LYS   3  10.652  -0.786   8.322
   32   1HD   LYS   3          2HD       LYS   3  12.653  -0.308   9.232
   33   2HD   LYS   3          1HD       LYS   3  12.650   1.301   8.507
   34   1HE   LYS   3          2HE       LYS   3  11.012   1.957  10.397
   35   2HE   LYS   3          1HE       LYS   3  11.533   0.454  11.186
   36   1HZ   LYS   3          1HZ       LYS   3  13.233   1.721  11.901
   37   2HZ   LYS   3          2HZ       LYS   3  13.032   2.888  10.682
   38   3HZ   LYS   3          3HZ       LYS   3  13.869   1.447  10.352
   39    H    LEU   4           H        LEU   4  10.601   0.450   3.485
   40    HA   LEU   4           HA       LEU   4   7.787   1.303   3.365
   41   1HB   LEU   4          2HB       LEU   4  10.139   1.201   1.470
   42   2HB   LEU   4          1HB       LEU   4   8.541   1.728   0.941
   43    HG   LEU   4           HG       LEU   4   9.131   3.061   3.397
   44   1HD1  LEU   4          1HD1      LEU   4  11.523   2.445   2.567
   45   2HD1  LEU   4          2HD1      LEU   4  11.201   4.117   3.022
   46   3HD1  LEU   4          3HD1      LEU   4  11.232   3.658   1.320
   47   1HD2  LEU   4          1HD2      LEU   4   8.591   3.727   0.539
   48   2HD2  LEU   4          2HD2      LEU   4   9.267   5.005   1.549
   49   3HD2  LEU   4          3HD2      LEU   4   7.738   4.246   1.994
   50    H    PHE   5           H        PHE   5   9.222  -1.703   3.216
   51    HA   PHE   5           HA       PHE   5   7.797  -2.776   0.903
   52   1HB   PHE   5          2HB       PHE   5   9.982  -3.473   2.397
   53   2HB   PHE   5          1HB       PHE   5   8.770  -4.603   3.002
   54    HD1  PHE   5           HD1      PHE   5  11.328  -5.050   1.155
   55    HD2  PHE   5           HD2      PHE   5   7.105  -4.735   0.425
   56    HE1  PHE   5           HE1      PHE   5  11.578  -6.420  -0.898
   57    HE2  PHE   5           HE2      PHE   5   7.358  -6.103  -1.628
   58    HZ   PHE   5           HZ       PHE   5   9.593  -6.946  -2.289
   59    H    LYS   6           H        LYS   6   6.917  -2.077   4.117
   60    HA   LYS   6           HA       LYS   6   4.812  -4.167   4.219
   61   1HB   LYS   6          2HB       LYS   6   6.393  -2.705   6.070
   62   2HB   LYS   6          1HB       LYS   6   4.718  -2.223   6.346
   63   1HG   LYS   6          2HG       LYS   6   5.615  -5.110   6.133
   64   2HG   LYS   6          1HG       LYS   6   5.433  -4.256   7.665
   65   1HD   LYS   6          2HD       LYS   6   3.037  -3.691   6.765
   66   2HD   LYS   6          1HD       LYS   6   3.315  -5.057   5.685
   67   1HE   LYS   6          2HE       LYS   6   3.548  -6.586   7.504
   68   2HE   LYS   6          1HE       LYS   6   3.713  -5.270   8.684
   69   1HZ   LYS   6          1HZ       LYS   6   1.322  -5.610   6.960
   70   2HZ   LYS   6          2HZ       LYS   6   1.498  -4.581   8.301
   71   3HZ   LYS   6          3HZ       LYS   6   1.427  -6.264   8.522
   72    H    LYS   7           H        LYS   7   5.048  -1.372   2.599
   73    HA   LYS   7           HA       LYS   7   2.215  -0.554   3.174
   74   1HB   LYS   7          2HB       LYS   7   4.387   1.125   1.893
   75   2HB   LYS   7          1HB       LYS   7   2.884   1.679   2.624
   76   1HG   LYS   7          2HG       LYS   7   4.678   0.144   4.422
   77   2HG   LYS   7          1HG       LYS   7   5.280   1.717   3.909
   78   1HD   LYS   7          2HD       LYS   7   4.036   2.462   5.673
   79   2HD   LYS   7          1HD       LYS   7   2.714   2.364   4.508
   80   1HE   LYS   7          2HE       LYS   7   1.718   0.695   5.678
   81   2HE   LYS   7          1HE       LYS   7   3.233  -0.227   5.750
   82   1HZ   LYS   7          1HZ       LYS   7   2.244   0.792   7.916
   83   2HZ   LYS   7          2HZ       LYS   7   2.964   2.223   7.350
   84   3HZ   LYS   7          3HZ       LYS   7   3.917   0.848   7.643
   85    H    ILE   8           H        ILE   8   4.399  -1.868   0.904
   86    HA   ILE   8           HA       ILE   8   3.527  -0.994  -1.608
   87    HB   ILE   8           HB       ILE   8   4.516  -3.611  -0.484
   88   1HG1  ILE   8          2HG1      ILE   8   6.575  -2.851  -1.051
   89   2HG1  ILE   8          1HG1      ILE   8   6.031  -2.323  -2.638
   90   1HG2  ILE   8          1HG2      ILE   8   3.989  -3.038  -3.413
   91   2HG2  ILE   8          2HG2      ILE   8   3.034  -4.128  -2.409
   92   3HG2  ILE   8          3HG2      ILE   8   4.724  -4.498  -2.751
   93   1HD1  ILE   8          1HD1      ILE   8   5.567  -0.768  -0.072
   94   2HD1  ILE   8          2HD1      ILE   8   5.210  -0.227  -1.713
   95   3HD1  ILE   8          3HD1      ILE   8   6.882  -0.454  -1.203
   96    HA   PRO   9           HA       PRO   9   0.057  -4.284  -1.520
   97   1HB   PRO   9          2HB       PRO   9  -0.692  -5.312   0.900
   98   2HB   PRO   9          1HB       PRO   9   0.562  -6.044  -0.119
   99   1HG   PRO   9          2HG       PRO   9   0.846  -4.344   2.296
  100   2HG   PRO   9          1HG       PRO   9   1.820  -5.721   1.760
  101   1HD   PRO   9          2HD       PRO   9   2.563  -3.099   1.480
  102   2HD   PRO   9          1HD       PRO   9   3.163  -4.423   0.459
  103    H    LYS  10           H        LYS  10  -0.808  -2.033  -1.822
  104    HA   LYS  10           HA       LYS  10  -2.310  -0.895   0.469
  105   1HB   LYS  10          2HB       LYS  10  -0.878   0.271  -1.426
  106   2HB   LYS  10          1HB       LYS  10  -2.367   0.120  -2.359
  107   1HG   LYS  10          2HG       LYS  10  -3.121   1.057   0.204
  108   2HG   LYS  10          1HG       LYS  10  -1.730   2.021  -0.293
  109   1HD   LYS  10          2HD       LYS  10  -3.797   1.523  -2.370
  110   2HD   LYS  10          1HD       LYS  10  -4.254   2.605  -1.053
  111   1HE   LYS  10          2HE       LYS  10  -2.449   4.105  -1.525
  112   2HE   LYS  10          1HE       LYS  10  -1.665   2.931  -2.600
  113   1HZ   LYS  10          1HZ       LYS  10  -3.987   4.618  -3.084
  114   2HZ   LYS  10          2HZ       LYS  10  -4.088   3.028  -3.675
  115   3HZ   LYS  10          3HZ       LYS  10  -2.820   4.044  -4.171
  116    H    PHE  11           H        PHE  11  -2.959  -3.489  -1.110
  117    HA   PHE  11           HA       PHE  11  -5.361  -3.068  -2.619
  118   1HB   PHE  11          2HB       PHE  11  -3.888  -5.067  -2.666
  119   2HB   PHE  11          1HB       PHE  11  -4.387  -5.457  -1.021
  120    HD1  PHE  11           HD1      PHE  11  -5.647  -7.446  -1.239
  121    HD2  PHE  11           HD2      PHE  11  -6.430  -4.122  -3.846
  122    HE1  PHE  11           HE1      PHE  11  -7.651  -8.612  -2.123
  123    HE2  PHE  11           HE2      PHE  11  -8.434  -5.287  -4.728
  124    HZ   PHE  11           HZ       PHE  11  -9.045  -7.530  -3.867
  125    H    LEU  12           H        LEU  12  -4.754  -3.560   0.837
  126    HA   LEU  12           HA       LEU  12  -7.482  -4.057   1.617
  127   1HB   LEU  12          2HB       LEU  12  -4.891  -3.847   2.755
  128   2HB   LEU  12          1HB       LEU  12  -5.921  -2.720   3.636
  129    HG   LEU  12           HG       LEU  12  -7.616  -4.759   3.602
  130   1HD1  LEU  12          1HD1      LEU  12  -5.382  -5.902   2.365
  131   2HD1  LEU  12          2HD1      LEU  12  -6.768  -6.770   3.027
  132   3HD1  LEU  12          3HD1      LEU  12  -5.330  -6.515   4.017
  133   1HD2  LEU  12          1HD2      LEU  12  -6.965  -3.942   5.703
  134   2HD2  LEU  12          2HD2      LEU  12  -5.254  -4.246   5.398
  135   3HD2  LEU  12          3HD2      LEU  12  -6.344  -5.592   5.736
  136    H    HIS  13           H        HIS  13  -5.684  -1.126   0.911
  137    HA   HIS  13           HA       HIS  13  -7.429   0.727   2.282
  138   1HB   HIS  13          2HB       HIS  13  -4.995   0.795   1.056
  139   2HB   HIS  13          1HB       HIS  13  -5.996   1.566  -0.175
  140    HD1  HIS  13           HD1      HIS  13  -4.032   2.465   2.620
  141    HD2  HIS  13           HD2      HIS  13  -7.812   3.632   1.301
  142    HE1  HIS  13           HE1      HIS  13  -4.526   4.688   3.734
  143    H    SER  14           H        SER  14  -7.548  -0.870  -0.856
  144    HA   SER  14           HA       SER  14  -9.363   0.861  -2.204
  145   1HB   SER  14          2HB       SER  14  -8.121  -0.950  -3.277
  146   2HB   SER  14          1HB       SER  14  -8.962  -2.145  -2.292
  147    HG   SER  14           HG       SER  14 -10.177  -0.348  -4.130
  148    H    ALA  15           H        ALA  15  -9.802  -1.146   0.512
  149    HA   ALA  15           HA       ALA  15 -12.661  -1.652   0.193
  150   1HB   ALA  15          1HB       ALA  15 -10.549  -1.963   2.315
  151   2HB   ALA  15          2HB       ALA  15 -11.508  -3.211   1.518
  152   3HB   ALA  15          3HB       ALA  15 -12.247  -2.177   2.742
  153    H    LYS  16           H        LYS  16 -10.670   0.924   1.445
  154    HA   LYS  16           HA       LYS  16 -12.597   2.146   3.209
  155   1HB   LYS  16          2HB       LYS  16 -10.269   3.288   1.629
  156   2HB   LYS  16          1HB       LYS  16 -11.040   4.063   3.013
  157   1HG   LYS  16          2HG       LYS  16 -10.326   1.343   3.676
  158   2HG   LYS  16          1HG       LYS  16  -8.914   2.207   3.068
  159   1HD   LYS  16          2HD       LYS  16 -10.609   3.732   4.955
  160   2HD   LYS  16          1HD       LYS  16  -9.764   2.348   5.649
  161   1HE   LYS  16          2HE       LYS  16  -7.648   3.254   4.501
  162   2HE   LYS  16          1HE       LYS  16  -8.566   4.756   4.260
  163   1HZ   LYS  16          1HZ       LYS  16  -8.346   3.374   6.878
  164   2HZ   LYS  16          2HZ       LYS  16  -8.985   4.919   6.575
  165   3HZ   LYS  16          3HZ       LYS  16  -7.317   4.639   6.410
  166    H    LYS  17           H        LYS  17 -12.473   1.877  -0.198
  167    HA   LYS  17           HA       LYS  17 -13.446   4.329  -1.165
  168   1HB   LYS  17          2HB       LYS  17 -13.145   1.637  -2.004
  169   2HB   LYS  17          1HB       LYS  17 -14.806   2.093  -2.385
  170   1HG   LYS  17          2HG       LYS  17 -12.567   3.982  -3.052
  171   2HG   LYS  17          1HG       LYS  17 -12.897   2.614  -4.116
  172   1HD   LYS  17          2HD       LYS  17 -15.066   4.516  -3.214
  173   2HD   LYS  17          1HD       LYS  17 -14.123   4.788  -4.679
  174   1HE   LYS  17          2HE       LYS  17 -15.173   3.099  -5.818
  175   2HE   LYS  17          1HE       LYS  17 -15.254   2.057  -4.384
  176   1HZ   LYS  17          1HZ       LYS  17 -16.823   3.989  -3.571
  177   2HZ   LYS  17          2HZ       LYS  17 -17.423   2.697  -4.497
  178   3HZ   LYS  17          3HZ       LYS  17 -17.074   4.187  -5.237
  179    H    PHE  18           H        PHE  18 -15.028   2.009   0.883
  180    HA   PHE  18           HA       PHE  18 -17.767   2.763   0.284
  181   1HB   PHE  18          2HB       PHE  18 -17.276   0.614   1.228
  182   2HB   PHE  18          1HB       PHE  18 -16.348   1.333   2.544
  183    HD1  PHE  18           HD1      PHE  18 -17.419   2.195   4.506
  184    HD2  PHE  18           HD2      PHE  18 -19.762   0.904   1.145
  185    HE1  PHE  18           HE1      PHE  18 -19.475   2.331   5.887
  186    HE2  PHE  18           HE2      PHE  18 -21.817   1.039   2.527
  187    HZ   PHE  18           HZ       PHE  18 -21.673   1.753   4.897
  188   1HN   NH2  19          1HN       NH2  19 -15.296   4.506   1.817
  189   2HN   NH2  19          2HN       NH2  19 -16.253   5.525   2.780
  Start of MODEL    3
    1   1H    LYS   1          1H        LYS   1   8.503 -10.776  10.469
    2   2H    LYS   1          2H        LYS   1   7.938 -11.071   8.895
    3   3H    LYS   1          3H        LYS   1   7.895 -12.306  10.059
    4    HA   LYS   1           HA       LYS   1   5.792 -10.731   9.447
    5   1HB   LYS   1          2HB       LYS   1   6.717 -12.411  11.752
    6   2HB   LYS   1          1HB       LYS   1   5.172 -11.574  11.895
    7   1HG   LYS   1          2HG       LYS   1   4.234 -12.726  10.072
    8   2HG   LYS   1          1HG       LYS   1   5.814 -13.186   9.434
    9   1HD   LYS   1          2HD       LYS   1   4.501 -15.044  10.595
   10   2HD   LYS   1          1HD       LYS   1   6.152 -14.798  11.167
   11   1HE   LYS   1          2HE       LYS   1   5.240 -13.349  13.012
   12   2HE   LYS   1          1HE       LYS   1   3.605 -13.795  12.488
   13   1HZ   LYS   1          1HZ       LYS   1   5.358 -16.055  12.681
   14   2HZ   LYS   1          2HZ       LYS   1   3.814 -15.826  13.350
   15   3HZ   LYS   1          3HZ       LYS   1   5.190 -15.256  14.168
   16    H    TRP   2           H        TRP   2   6.471  -8.437   9.442
   17    HA   TRP   2           HA       TRP   2   5.942  -7.120  11.998
   18   1HB   TRP   2          2HB       TRP   2   8.374  -7.984  11.970
   19   2HB   TRP   2          1HB       TRP   2   8.676  -6.728  10.769
   20    HD1  TRP   2           HD1      TRP   2   9.664  -4.675  11.865
   21    HE1  TRP   2           HE1      TRP   2   9.313  -3.401  14.078
   22    HE3  TRP   2           HE3      TRP   2   6.130  -7.650  14.045
   23    HZ2  TRP   2           HZ2      TRP   2   7.743  -3.616  16.459
   24    HZ3  TRP   2           HZ3      TRP   2   5.225  -7.092  16.284
   25    HH2  TRP   2           HH2      TRP   2   6.027  -5.080  17.493
   26    H    LYS   3           H        LYS   3   7.975  -5.037  10.469
   27    HA   LYS   3           HA       LYS   3   6.138  -3.164   9.601
   28   1HB   LYS   3          2HB       LYS   3   8.937  -3.906   8.992
   29   2HB   LYS   3          1HB       LYS   3   8.172  -2.835   7.818
   30   1HG   LYS   3          2HG       LYS   3   7.438  -1.419   9.831
   31   2HG   LYS   3          1HG       LYS   3   8.590  -2.366  10.773
   32   1HD   LYS   3          2HD       LYS   3  10.392  -1.726   9.198
   33   2HD   LYS   3          1HD       LYS   3   9.238  -0.749   8.290
   34   1HE   LYS   3          2HE       LYS   3   9.611   0.979   9.701
   35   2HE   LYS   3          1HE       LYS   3   9.044  -0.014  11.059
   36   1HZ   LYS   3          1HZ       LYS   3  11.728  -0.430   9.902
   37   2HZ   LYS   3          2HZ       LYS   3  11.158  -0.846  11.448
   38   3HZ   LYS   3          3HZ       LYS   3  11.479   0.778  11.068
   39    H    LEU   4           H        LEU   4   7.008  -6.117   8.014
   40    HA   LEU   4           HA       LEU   4   6.424  -5.725   5.343
   41   1HB   LEU   4          2HB       LEU   4   5.794  -7.948   7.275
   42   2HB   LEU   4          1HB       LEU   4   5.416  -8.107   5.559
   43    HG   LEU   4           HG       LEU   4   8.131  -7.102   6.071
   44   1HD1  LEU   4          1HD1      LEU   4   7.134  -9.550   7.410
   45   2HD1  LEU   4          2HD1      LEU   4   8.530  -8.543   7.797
   46   3HD1  LEU   4          3HD1      LEU   4   8.636  -9.742   6.507
   47   1HD2  LEU   4          1HD2      LEU   4   8.585  -8.302   4.154
   48   2HD2  LEU   4          2HD2      LEU   4   6.838  -8.155   3.958
   49   3HD2  LEU   4          3HD2      LEU   4   7.530  -9.637   4.617
   50    H    PHE   5           H        PHE   5   4.197  -5.600   8.003
   51    HA   PHE   5           HA       PHE   5   1.759  -5.911   6.481
   52   1HB   PHE   5          2HB       PHE   5   1.986  -6.265   8.923
   53   2HB   PHE   5          1HB       PHE   5   2.306  -4.541   9.130
   54    HD1  PHE   5           HD1      PHE   5  -0.238  -7.021   8.049
   55    HD2  PHE   5           HD2      PHE   5   0.535  -2.923   9.077
   56    HE1  PHE   5           HE1      PHE   5  -2.675  -6.571   8.081
   57    HE2  PHE   5           HE2      PHE   5  -1.904  -2.472   9.112
   58    HZ   PHE   5           HZ       PHE   5  -3.509  -4.294   8.612
   59    H    LYS   6           H        LYS   6   4.014  -3.403   6.533
   60    HA   LYS   6           HA       LYS   6   1.997  -1.269   6.067
   61   1HB   LYS   6          2HB       LYS   6   4.699  -1.498   7.054
   62   2HB   LYS   6          1HB       LYS   6   4.655  -0.345   5.720
   63   1HG   LYS   6          2HG       LYS   6   2.492   0.532   6.963
   64   2HG   LYS   6          1HG       LYS   6   3.244  -0.236   8.362
   65   1HD   LYS   6          2HD       LYS   6   4.861   1.589   6.601
   66   2HD   LYS   6          1HD       LYS   6   3.803   2.267   7.839
   67   1HE   LYS   6          2HE       LYS   6   5.526   1.930   9.286
   68   2HE   LYS   6          1HE       LYS   6   5.153   0.199   9.159
   69   1HZ   LYS   6          1HZ       LYS   6   6.459   0.521   6.902
   70   2HZ   LYS   6          2HZ       LYS   6   7.264   0.159   8.353
   71   3HZ   LYS   6          3HZ       LYS   6   7.208   1.759   7.785
   72    H    LYS   7           H        LYS   7   4.282  -3.284   4.325
   73    HA   LYS   7           HA       LYS   7   3.669  -1.761   1.813
   74   1HB   LYS   7          2HB       LYS   7   5.802  -2.700   1.015
   75   2HB   LYS   7          1HB       LYS   7   6.041  -1.859   2.546
   76   1HG   LYS   7          2HG       LYS   7   5.396  -4.424   3.355
   77   2HG   LYS   7          1HG       LYS   7   6.370  -4.703   1.911
   78   1HD   LYS   7          2HD       LYS   7   7.781  -2.707   3.179
   79   2HD   LYS   7          1HD       LYS   7   7.177  -3.655   4.537
   80   1HE   LYS   7          2HE       LYS   7   8.513  -5.441   4.036
   81   2HE   LYS   7          1HE       LYS   7   8.249  -5.262   2.290
   82   1HZ   LYS   7          1HZ       LYS   7  10.523  -4.661   2.912
   83   2HZ   LYS   7          2HZ       LYS   7   9.928  -3.469   3.968
   84   3HZ   LYS   7          3HZ       LYS   7   9.683  -3.325   2.293
   85    H    ILE   8           H        ILE   8   2.388  -4.218   3.371
   86    HA   ILE   8           HA       ILE   8   2.304  -6.064   1.016
   87    HB   ILE   8           HB       ILE   8   2.182  -6.396   3.992
   88   1HG1  ILE   8          2HG1      ILE   8   3.476  -8.009   1.779
   89   2HG1  ILE   8          1HG1      ILE   8   4.276  -6.714   2.671
   90   1HG2  ILE   8          1HG2      ILE   8   1.115  -8.440   2.022
   91   2HG2  ILE   8          2HG2      ILE   8   0.108  -7.476   3.099
   92   3HG2  ILE   8          3HG2      ILE   8   1.250  -8.638   3.769
   93   1HD1  ILE   8          1HD1      ILE   8   3.590  -8.038   4.792
   94   2HD1  ILE   8          2HD1      ILE   8   4.928  -8.662   3.829
   95   3HD1  ILE   8          3HD1      ILE   8   3.326  -9.389   3.689
   96    HA   PRO   9           HA       PRO   9  -2.277  -5.895   2.234
   97   1HB   PRO   9          2HB       PRO   9  -3.048  -4.531   4.477
   98   2HB   PRO   9          1HB       PRO   9  -2.567  -6.239   4.499
   99   1HG   PRO   9          2HG       PRO   9  -0.991  -3.822   5.238
  100   2HG   PRO   9          1HG       PRO   9  -1.057  -5.408   6.022
  101   1HD   PRO   9          2HD       PRO   9   0.973  -4.655   4.395
  102   2HD   PRO   9          1HD       PRO   9   0.445  -6.340   4.568
  103    H    LYS  10           H        LYS  10  -0.855  -3.907   0.751
  104    HA   LYS  10           HA       LYS  10  -1.985  -1.269   1.360
  105   1HB   LYS  10          2HB       LYS  10  -0.318  -2.540  -0.812
  106   2HB   LYS  10          1HB       LYS  10  -0.983  -0.922  -1.042
  107   1HG   LYS  10          2HG       LYS  10   0.157  -1.052   1.580
  108   2HG   LYS  10          1HG       LYS  10   1.343  -1.672   0.432
  109   1HD   LYS  10          2HD       LYS  10   1.430   0.332  -0.767
  110   2HD   LYS  10          1HD       LYS  10  -0.157   0.854  -0.200
  111   1HE   LYS  10          2HE       LYS  10   0.879   0.978   2.147
  112   2HE   LYS  10          1HE       LYS  10   2.452   0.836   1.338
  113   1HZ   LYS  10          1HZ       LYS  10   1.203   2.634  -0.209
  114   2HZ   LYS  10          2HZ       LYS  10   2.241   3.046   1.072
  115   3HZ   LYS  10          3HZ       LYS  10   0.560   3.031   1.310
  116    H    PHE  11           H        PHE  11  -2.974  -4.138  -0.200
  117    HA   PHE  11           HA       PHE  11  -4.715  -3.100  -2.241
  118   1HB   PHE  11          2HB       PHE  11  -4.205  -5.328  -2.534
  119   2HB   PHE  11          1HB       PHE  11  -4.099  -5.630  -0.803
  120    HD1  PHE  11           HD1      PHE  11  -5.958  -6.449   0.435
  121    HD2  PHE  11           HD2      PHE  11  -6.467  -5.191  -3.640
  122    HE1  PHE  11           HE1      PHE  11  -8.229  -7.444   0.414
  123    HE2  PHE  11           HE2      PHE  11  -8.739  -6.188  -3.664
  124    HZ   PHE  11           HZ       PHE  11  -9.620  -7.315  -1.636
  125    H    LEU  12           H        LEU  12  -5.312  -4.217   1.115
  126    HA   LEU  12           HA       LEU  12  -8.081  -3.921   1.297
  127   1HB   LEU  12          2HB       LEU  12  -5.742  -3.552   3.131
  128   2HB   LEU  12          1HB       LEU  12  -7.339  -3.089   3.720
  129    HG   LEU  12           HG       LEU  12  -7.221  -5.705   2.344
  130   1HD1  LEU  12          1HD1      LEU  12  -5.361  -6.372   3.474
  131   2HD1  LEU  12          2HD1      LEU  12  -6.451  -6.471   4.858
  132   3HD1  LEU  12          3HD1      LEU  12  -5.459  -5.032   4.617
  133   1HD2  LEU  12          1HD2      LEU  12  -9.215  -4.705   3.529
  134   2HD2  LEU  12          2HD2      LEU  12  -8.328  -4.874   5.043
  135   3HD2  LEU  12          3HD2      LEU  12  -8.765  -6.306   4.112
  136    H    HIS  13           H        HIS  13  -5.689  -1.420   0.907
  137    HA   HIS  13           HA       HIS  13  -7.018   0.833   1.992
  138   1HB   HIS  13          2HB       HIS  13  -4.659   0.470   0.964
  139   2HB   HIS  13          1HB       HIS  13  -5.435   0.842  -0.575
  140    HD1  HIS  13           HD1      HIS  13  -6.552   3.246  -0.786
  141    HD2  HIS  13           HD2      HIS  13  -4.206   2.689   2.615
  142    HE1  HIS  13           HE1      HIS  13  -6.121   5.551   0.174
  143    H    SER  14           H        SER  14  -7.552  -0.892  -1.053
  144    HA   SER  14           HA       SER  14  -9.158   1.152  -2.307
  145   1HB   SER  14          2HB       SER  14  -9.422  -1.808  -2.784
  146   2HB   SER  14          1HB       SER  14  -9.480  -0.496  -3.958
  147    HG   SER  14           HG       SER  14  -7.461  -1.851  -3.708
  148    H    ALA  15           H        ALA  15  -9.770  -1.166   0.158
  149    HA   ALA  15           HA       ALA  15 -12.651  -1.367  -0.181
  150   1HB   ALA  15          1HB       ALA  15 -11.277  -1.771   2.446
  151   2HB   ALA  15          2HB       ALA  15 -10.795  -2.804   1.100
  152   3HB   ALA  15          3HB       ALA  15 -12.474  -2.787   1.642
  153    H    LYS  16           H        LYS  16 -10.526   0.998   1.175
  154    HA   LYS  16           HA       LYS  16 -12.043   2.155   3.247
  155   1HB   LYS  16          2HB       LYS  16  -9.936   2.913   1.340
  156   2HB   LYS  16          1HB       LYS  16 -10.895   4.283   1.904
  157   1HG   LYS  16          2HG       LYS  16 -10.458   2.778   4.210
  158   2HG   LYS  16          1HG       LYS  16  -8.921   2.689   3.347
  159   1HD   LYS  16          2HD       LYS  16  -8.807   4.655   4.710
  160   2HD   LYS  16          1HD       LYS  16  -9.080   5.217   3.060
  161   1HE   LYS  16          2HE       LYS  16 -11.654   4.760   4.133
  162   2HE   LYS  16          1HE       LYS  16 -10.744   5.624   5.390
  163   1HZ   LYS  16          1HZ       LYS  16 -11.430   6.472   2.683
  164   2HZ   LYS  16          2HZ       LYS  16  -9.884   6.901   3.244
  165   3HZ   LYS  16          3HZ       LYS  16 -11.268   7.395   4.098
  166    H    LYS  17           H        LYS  17 -12.610   2.183  -0.212
  167    HA   LYS  17           HA       LYS  17 -14.374   4.478  -0.271
  168   1HB   LYS  17          2HB       LYS  17 -13.518   2.232  -2.015
  169   2HB   LYS  17          1HB       LYS  17 -15.085   2.947  -2.405
  170   1HG   LYS  17          2HG       LYS  17 -13.538   5.176  -1.940
  171   2HG   LYS  17          1HG       LYS  17 -12.386   4.079  -2.700
  172   1HD   LYS  17          2HD       LYS  17 -13.929   3.726  -4.578
  173   2HD   LYS  17          1HD       LYS  17 -15.117   4.783  -3.814
  174   1HE   LYS  17          2HE       LYS  17 -13.969   6.160  -5.409
  175   2HE   LYS  17          1HE       LYS  17 -13.266   6.589  -3.836
  176   1HZ   LYS  17          1HZ       LYS  17 -11.371   6.099  -4.988
  177   2HZ   LYS  17          2HZ       LYS  17 -12.131   4.964  -5.997
  178   3HZ   LYS  17          3HZ       LYS  17 -11.735   4.551  -4.396
  179    H    PHE  18           H        PHE  18 -14.792   1.084   0.527
  180    HA   PHE  18           HA       PHE  18 -17.710   1.119   0.311
  181   1HB   PHE  18          2HB       PHE  18 -15.857  -0.799   0.207
  182   2HB   PHE  18          1HB       PHE  18 -16.180  -0.871   1.940
  183    HD1  PHE  18           HD1      PHE  18 -18.015  -0.691  -1.327
  184    HD2  PHE  18           HD2      PHE  18 -17.951  -2.190   2.697
  185    HE1  PHE  18           HE1      PHE  18 -20.098  -1.960  -1.768
  186    HE2  PHE  18           HE2      PHE  18 -20.036  -3.460   2.257
  187    HZ   PHE  18           HZ       PHE  18 -21.109  -3.346   0.024
  188   1HN   NH2  19          1HN       NH2  19 -15.336   1.347   3.001
  189   2HN   NH2  19          2HN       NH2  19 -16.462   1.841   4.173
  Start of MODEL    4
    1   1H    LYS   1          1H        LYS   1  12.283  -9.153  10.118
    2   2H    LYS   1          2H        LYS   1  13.825  -8.598  10.562
    3   3H    LYS   1          3H        LYS   1  13.649 -10.107   9.801
    4    HA   LYS   1           HA       LYS   1  13.799  -7.468   8.634
    5   1HB   LYS   1          2HB       LYS   1  14.065 -10.306   7.587
    6   2HB   LYS   1          1HB       LYS   1  14.713  -8.849   6.831
    7   1HG   LYS   1          2HG       LYS   1  16.397  -8.613   8.401
    8   2HG   LYS   1          1HG       LYS   1  15.471  -9.422   9.667
    9   1HD   LYS   1          2HD       LYS   1  15.790 -11.390   7.721
   10   2HD   LYS   1          1HD       LYS   1  17.344 -10.555   7.736
   11   1HE   LYS   1          2HE       LYS   1  17.816 -11.182   9.915
   12   2HE   LYS   1          1HE       LYS   1  16.104 -11.233  10.378
   13   1HZ   LYS   1          1HZ       LYS   1  17.698 -13.231   8.940
   14   2HZ   LYS   1          2HZ       LYS   1  16.052 -13.085   8.546
   15   3HZ   LYS   1          3HZ       LYS   1  16.518 -13.456  10.138
   16    H    TRP   2           H        TRP   2  12.071 -10.461   7.681
   17    HA   TRP   2           HA       TRP   2  10.228  -8.923   5.988
   18   1HB   TRP   2          2HB       TRP   2   9.362 -11.223   5.509
   19   2HB   TRP   2          1HB       TRP   2  11.102 -11.080   5.276
   20    HD1  TRP   2           HD1      TRP   2  10.386 -11.123   8.889
   21    HE1  TRP   2           HE1      TRP   2  10.823 -13.458   9.879
   22    HE3  TRP   2           HE3      TRP   2  10.769 -13.849   4.587
   23    HZ2  TRP   2           HZ2      TRP   2  11.272 -16.131   8.973
   24    HZ3  TRP   2           HZ3      TRP   2  11.201 -16.288   4.680
   25    HH2  TRP   2           HH2      TRP   2  11.453 -17.431   6.867
   26    H    LYS   3           H        LYS   3  10.136  -8.589   9.021
   27    HA   LYS   3           HA       LYS   3   7.669  -9.857   9.895
   28   1HB   LYS   3          2HB       LYS   3   9.843  -8.740  11.084
   29   2HB   LYS   3          1HB       LYS   3   8.688  -7.414  11.227
   30   1HG   LYS   3          2HG       LYS   3   7.818  -8.477  13.012
   31   2HG   LYS   3          1HG       LYS   3   7.233  -9.717  11.903
   32   1HD   LYS   3          2HD       LYS   3  10.047  -9.756  13.003
   33   2HD   LYS   3          1HD       LYS   3   8.703 -10.524  13.847
   34   1HE   LYS   3          2HE       LYS   3   8.649 -11.274  11.051
   35   2HE   LYS   3          1HE       LYS   3  10.235 -11.644  11.757
   36   1HZ   LYS   3          1HZ       LYS   3   7.566 -12.457  12.765
   37   2HZ   LYS   3          2HZ       LYS   3   8.970 -12.542  13.719
   38   3HZ   LYS   3          3HZ       LYS   3   8.849 -13.462  12.295
   39    H    LEU   4           H        LEU   4   8.519  -6.905   8.293
   40    HA   LEU   4           HA       LEU   4   5.928  -5.597   8.796
   41   1HB   LEU   4          2HB       LEU   4   6.944  -3.807   7.460
   42   2HB   LEU   4          1HB       LEU   4   8.117  -4.403   8.636
   43    HG   LEU   4           HG       LEU   4   8.587  -6.078   6.525
   44   1HD1  LEU   4          1HD1      LEU   4   8.749  -4.535   4.534
   45   2HD1  LEU   4          2HD1      LEU   4   7.787  -3.365   5.437
   46   3HD1  LEU   4          3HD1      LEU   4   7.096  -4.931   5.008
   47   1HD2  LEU   4          1HD2      LEU   4   9.816  -3.361   7.087
   48   2HD2  LEU   4          2HD2      LEU   4  10.561  -4.610   6.089
   49   3HD2  LEU   4          3HD2      LEU   4  10.298  -4.896   7.810
   50    H    PHE   5           H        PHE   5   6.992  -7.998   6.722
   51    HA   PHE   5           HA       PHE   5   5.718  -7.238   4.246
   52   1HB   PHE   5          2HB       PHE   5   7.390  -9.232   5.256
   53   2HB   PHE   5          1HB       PHE   5   5.921 -10.091   4.795
   54    HD1  PHE   5           HD1      PHE   5   4.895  -9.283   2.439
   55    HD2  PHE   5           HD2      PHE   5   9.008  -8.906   3.622
   56    HE1  PHE   5           HE1      PHE   5   5.568  -9.139   0.056
   57    HE2  PHE   5           HE2      PHE   5   9.679  -8.761   1.239
   58    HZ   PHE   5           HZ       PHE   5   7.960  -8.878  -0.544
   59    H    LYS   6           H        LYS   6   4.469  -8.280   7.231
   60    HA   LYS   6           HA       LYS   6   1.917  -9.188   5.946
   61   1HB   LYS   6          2HB       LYS   6   3.585 -10.490   7.677
   62   2HB   LYS   6          1HB       LYS   6   2.441  -9.754   8.800
   63   1HG   LYS   6          2HG       LYS   6   0.654 -10.667   7.075
   64   2HG   LYS   6          1HG       LYS   6   1.950 -11.789   6.659
   65   1HD   LYS   6          2HD       LYS   6   2.090 -12.600   8.915
   66   2HD   LYS   6          1HD       LYS   6   1.030 -11.321   9.505
   67   1HE   LYS   6          2HE       LYS   6  -0.834 -12.254   8.147
   68   2HE   LYS   6          1HE       LYS   6   0.232 -13.572   7.624
   69   1HZ   LYS   6          1HZ       LYS   6   0.302 -14.476   9.694
   70   2HZ   LYS   6          2HZ       LYS   6  -1.240 -13.771   9.795
   71   3HZ   LYS   6          3HZ       LYS   6   0.101 -12.990  10.485
   72    H    LYS   7           H        LYS   7   2.730  -6.336   6.615
   73    HA   LYS   7           HA       LYS   7   0.370  -5.738   8.354
   74   1HB   LYS   7          2HB       LYS   7   1.861  -3.962   9.411
   75   2HB   LYS   7          1HB       LYS   7   2.269  -5.631   9.808
   76   1HG   LYS   7          2HG       LYS   7   4.109  -5.652   8.306
   77   2HG   LYS   7          1HG       LYS   7   3.571  -4.176   7.503
   78   1HD   LYS   7          2HD       LYS   7   5.486  -3.804   9.086
   79   2HD   LYS   7          1HD       LYS   7   4.052  -2.856   9.485
   80   1HE   LYS   7          2HE       LYS   7   3.940  -5.469  10.763
   81   2HE   LYS   7          1HE       LYS   7   5.413  -4.592  11.222
   82   1HZ   LYS   7          1HZ       LYS   7   3.752  -2.592  11.320
   83   2HZ   LYS   7          2HZ       LYS   7   3.911  -3.645  12.646
   84   3HZ   LYS   7          3HZ       LYS   7   2.604  -3.815  11.574
   85    H    ILE   8           H        ILE   8   1.388  -5.456   5.371
   86    HA   ILE   8           HA       ILE   8   0.770  -2.538   5.077
   87    HB   ILE   8           HB       ILE   8   2.241  -4.557   3.359
   88   1HG1  ILE   8          2HG1      ILE   8   3.410  -3.578   5.366
   89   2HG1  ILE   8          1HG1      ILE   8   4.182  -3.177   3.833
   90   1HG2  ILE   8          1HG2      ILE   8   2.452  -1.783   2.518
   91   2HG2  ILE   8          2HG2      ILE   8   0.777  -2.335   2.473
   92   3HG2  ILE   8          3HG2      ILE   8   2.016  -3.205   1.569
   93   1HD1  ILE   8          1HD1      ILE   8   3.092  -0.987   3.816
   94   2HD1  ILE   8          2HD1      ILE   8   3.978  -1.196   5.328
   95   3HD1  ILE   8          3HD1      ILE   8   2.225  -1.384   5.299
   96    HA   PRO   9           HA       PRO   9  -2.950  -4.588   3.429
   97   1HB   PRO   9          2HB       PRO   9  -4.700  -2.694   4.322
   98   2HB   PRO   9          1HB       PRO   9  -4.105  -4.013   5.349
   99   1HG   PRO   9          2HG       PRO   9  -3.341  -1.157   5.310
  100   2HG   PRO   9          1HG       PRO   9  -3.382  -2.299   6.660
  101   1HD   PRO   9          2HD       PRO   9  -1.101  -1.477   5.281
  102   2HD   PRO   9          1HD       PRO   9  -1.221  -2.892   6.348
  103    H    LYS  10           H        LYS  10  -1.079  -2.540   2.065
  104    HA   LYS  10           HA       LYS  10  -2.360  -0.397   0.852
  105   1HB   LYS  10          2HB       LYS  10  -0.308  -2.412   0.078
  106   2HB   LYS  10          1HB       LYS  10  -0.970  -1.430  -1.230
  107   1HG   LYS  10          2HG       LYS  10  -0.438   0.262   1.033
  108   2HG   LYS  10          1HG       LYS  10   1.007  -0.677   0.662
  109   1HD   LYS  10          2HD       LYS  10   1.084   1.343  -0.663
  110   2HD   LYS  10          1HD       LYS  10   0.733  -0.003  -1.750
  111   1HE   LYS  10          2HE       LYS  10  -1.325   0.824  -2.275
  112   2HE   LYS  10          1HE       LYS  10  -1.681   1.231  -0.584
  113   1HZ   LYS  10          1HZ       LYS  10   0.223   2.965  -1.000
  114   2HZ   LYS  10          2HZ       LYS  10  -1.382   3.316  -1.438
  115   3HZ   LYS  10          3HZ       LYS  10  -0.269   2.808  -2.616
  116    H    PHE  11           H        PHE  11  -2.824  -3.836   0.206
  117    HA   PHE  11           HA       PHE  11  -4.412  -3.568  -2.183
  118   1HB   PHE  11          2HB       PHE  11  -3.208  -5.601  -1.293
  119   2HB   PHE  11          1HB       PHE  11  -4.446  -5.721  -0.044
  120    HD1  PHE  11           HD1      PHE  11  -4.693  -4.830  -3.675
  121    HD2  PHE  11           HD2      PHE  11  -5.782  -7.578  -0.558
  122    HE1  PHE  11           HE1      PHE  11  -6.168  -6.041  -5.258
  123    HE2  PHE  11           HE2      PHE  11  -7.259  -8.787  -2.140
  124    HZ   PHE  11           HZ       PHE  11  -7.452  -8.019  -4.491
  125    H    LEU  12           H        LEU  12  -5.299  -4.022   1.255
  126    HA   LEU  12           HA       LEU  12  -8.146  -3.881   0.821
  127   1HB   LEU  12          2HB       LEU  12  -6.318  -3.468   3.204
  128   2HB   LEU  12          1HB       LEU  12  -8.077  -3.490   3.337
  129    HG   LEU  12           HG       LEU  12  -7.167  -5.752   1.780
  130   1HD1  LEU  12          1HD1      LEU  12  -5.144  -5.244   3.335
  131   2HD1  LEU  12          2HD1      LEU  12  -5.782  -6.887   3.312
  132   3HD1  LEU  12          3HD1      LEU  12  -6.199  -5.796   4.634
  133   1HD2  LEU  12          1HD2      LEU  12  -8.286  -6.825   3.957
  134   2HD2  LEU  12          2HD2      LEU  12  -9.260  -6.023   2.725
  135   3HD2  LEU  12          3HD2      LEU  12  -8.821  -5.162   4.200
  136    H    HIS  13           H        HIS  13  -5.677  -1.493   0.856
  137    HA   HIS  13           HA       HIS  13  -6.830   0.796   1.956
  138   1HB   HIS  13          2HB       HIS  13  -4.584   0.339   0.718
  139   2HB   HIS  13          1HB       HIS  13  -5.470   0.792  -0.737
  140    HD1  HIS  13           HD1      HIS  13  -5.765   3.251  -1.173
  141    HD2  HIS  13           HD2      HIS  13  -4.579   2.492   2.752
  142    HE1  HIS  13           HE1      HIS  13  -5.311   5.506  -0.112
  143    H    SER  14           H        SER  14  -7.589  -0.760  -1.144
  144    HA   SER  14           HA       SER  14  -9.279   1.350  -2.150
  145   1HB   SER  14          2HB       SER  14  -8.545  -0.133  -3.782
  146   2HB   SER  14          1HB       SER  14  -8.714  -1.531  -2.723
  147    HG   SER  14           HG       SER  14 -10.328  -1.336  -4.421
  148    H    ALA  15           H        ALA  15  -9.735  -1.175   0.152
  149    HA   ALA  15           HA       ALA  15 -12.588  -1.477   0.003
  150   1HB   ALA  15          1HB       ALA  15 -10.853  -1.689   2.473
  151   2HB   ALA  15          2HB       ALA  15 -10.794  -2.891   1.184
  152   3HB   ALA  15          3HB       ALA  15 -12.292  -2.628   2.078
  153    H    LYS  16           H        LYS  16 -10.572   1.069   1.146
  154    HA   LYS  16           HA       LYS  16 -12.180   2.217   3.202
  155   1HB   LYS  16          2HB       LYS  16  -9.792   2.706   1.888
  156   2HB   LYS  16          1HB       LYS  16 -10.789   4.079   1.404
  157   1HG   LYS  16          2HG       LYS  16 -11.400   4.160   3.966
  158   2HG   LYS  16          1HG       LYS  16  -9.889   3.269   4.149
  159   1HD   LYS  16          2HD       LYS  16  -9.257   5.301   2.346
  160   2HD   LYS  16          1HD       LYS  16 -10.306   6.088   3.526
  161   1HE   LYS  16          2HE       LYS  16  -8.856   5.016   5.344
  162   2HE   LYS  16          1HE       LYS  16  -7.712   4.611   4.050
  163   1HZ   LYS  16          1HZ       LYS  16  -6.980   6.696   4.177
  164   2HZ   LYS  16          2HZ       LYS  16  -8.213   7.138   5.259
  165   3HZ   LYS  16          3HZ       LYS  16  -8.479   7.220   3.583
  166    H    LYS  17           H        LYS  17 -12.771   1.904  -0.165
  167    HA   LYS  17           HA       LYS  17 -14.204   4.257  -0.816
  168   1HB   LYS  17          2HB       LYS  17 -14.362   1.350  -1.616
  169   2HB   LYS  17          1HB       LYS  17 -15.452   2.539  -2.329
  170   1HG   LYS  17          2HG       LYS  17 -12.994   3.793  -2.503
  171   2HG   LYS  17          1HG       LYS  17 -12.594   2.104  -2.820
  172   1HD   LYS  17          2HD       LYS  17 -14.267   1.988  -4.582
  173   2HD   LYS  17          1HD       LYS  17 -14.818   3.621  -4.211
  174   1HE   LYS  17          2HE       LYS  17 -13.317   3.697  -6.154
  175   2HE   LYS  17          1HE       LYS  17 -12.508   4.461  -4.771
  176   1HZ   LYS  17          1HZ       LYS  17 -11.236   2.579  -4.366
  177   2HZ   LYS  17          2HZ       LYS  17 -11.240   2.656  -6.063
  178   3HZ   LYS  17          3HZ       LYS  17 -12.258   1.559  -5.257
  179    H    PHE  18           H        PHE  18 -15.130   1.495   1.159
  180    HA   PHE  18           HA       PHE  18 -17.978   2.129   1.184
  181   1HB   PHE  18          2HB       PHE  18 -16.856  -0.128   1.502
  182   2HB   PHE  18          1HB       PHE  18 -16.332   0.435   3.086
  183    HD1  PHE  18           HD1      PHE  18 -19.580   1.478   1.662
  184    HD2  PHE  18           HD2      PHE  18 -17.584  -1.288   4.277
  185    HE1  PHE  18           HE1      PHE  18 -21.761   0.809   2.622
  186    HE2  PHE  18           HE2      PHE  18 -19.770  -1.955   5.235
  187    HZ   PHE  18           HZ       PHE  18 -21.858  -0.907   4.408
  188   1HN   NH2  19          1HN       NH2  19 -15.539   2.179   3.861
  189   2HN   NH2  19          2HN       NH2  19 -16.230   3.500   4.673
  Start of MODEL    5
    1   1H    LYS   1          1H        LYS   1   3.964   0.256 -20.412
    2   2H    LYS   1          2H        LYS   1   5.063  -0.272 -19.229
    3   3H    LYS   1          3H        LYS   1   4.028   1.037 -18.907
    4    HA   LYS   1           HA       LYS   1   2.191  -0.782 -19.455
    5   1HB   LYS   1          2HB       LYS   1   4.758  -2.156 -18.653
    6   2HB   LYS   1          1HB       LYS   1   3.192  -2.904 -18.340
    7   1HG   LYS   1          2HG       LYS   1   3.264  -3.696 -20.450
    8   2HG   LYS   1          1HG       LYS   1   3.030  -2.033 -20.994
    9   1HD   LYS   1          2HD       LYS   1   5.758  -2.231 -20.321
   10   2HD   LYS   1          1HD       LYS   1   5.385  -3.702 -21.219
   11   1HE   LYS   1          2HE       LYS   1   4.435  -1.022 -22.237
   12   2HE   LYS   1          1HE       LYS   1   6.077  -1.597 -22.588
   13   1HZ   LYS   1          1HZ       LYS   1   3.850  -3.473 -22.908
   14   2HZ   LYS   1          2HZ       LYS   1   5.317  -3.380 -23.762
   15   3HZ   LYS   1          3HZ       LYS   1   4.061  -2.288 -24.105
   16    H    TRP   2           H        TRP   2   1.313  -1.841 -17.318
   17    HA   TRP   2           HA       TRP   2   2.323  -0.487 -14.875
   18   1HB   TRP   2          2HB       TRP   2   0.382   0.771 -14.538
   19   2HB   TRP   2          1HB       TRP   2   0.520   0.829 -16.292
   20    HD1  TRP   2           HD1      TRP   2  -0.580  -1.997 -17.044
   21    HE1  TRP   2           HE1      TRP   2  -3.071  -2.565 -16.701
   22    HE3  TRP   2           HE3      TRP   2  -1.820   1.524 -13.555
   23    HZ2  TRP   2           HZ2      TRP   2  -5.295  -1.651 -15.153
   24    HZ3  TRP   2           HZ3      TRP   2  -4.131   1.652 -12.667
   25    HH2  TRP   2           HH2      TRP   2  -5.867   0.070 -13.460
   26    H    LYS   3           H        LYS   3   1.879  -3.330 -16.038
   27    HA   LYS   3           HA       LYS   3  -0.187  -4.561 -14.431
   28   1HB   LYS   3          2HB       LYS   3   0.523  -6.500 -15.509
   29   2HB   LYS   3          1HB       LYS   3   1.140  -5.277 -16.617
   30   1HG   LYS   3          2HG       LYS   3   3.220  -5.441 -14.873
   31   2HG   LYS   3          1HG       LYS   3   2.615  -7.096 -14.800
   32   1HD   LYS   3          2HD       LYS   3   3.220  -7.553 -16.951
   33   2HD   LYS   3          1HD       LYS   3   2.814  -5.932 -17.517
   34   1HE   LYS   3          2HE       LYS   3   5.174  -5.966 -17.680
   35   2HE   LYS   3          1HE       LYS   3   4.910  -5.203 -16.100
   36   1HZ   LYS   3          1HZ       LYS   3   5.717  -7.963 -16.715
   37   2HZ   LYS   3          2HZ       LYS   3   4.814  -7.668 -15.308
   38   3HZ   LYS   3          3HZ       LYS   3   6.317  -6.909 -15.529
   39    H    LEU   4           H        LEU   4   2.719  -3.182 -13.523
   40    HA   LEU   4           HA       LEU   4   3.705  -5.094 -11.607
   41   1HB   LEU   4          2HB       LEU   4   4.227  -2.399 -12.547
   42   2HB   LEU   4          1HB       LEU   4   4.388  -2.490 -10.790
   43    HG   LEU   4           HG       LEU   4   5.698  -4.391 -12.747
   44   1HD1  LEU   4          1HD1      LEU   4   7.492  -2.798 -11.124
   45   2HD1  LEU   4          2HD1      LEU   4   6.429  -1.755 -12.069
   46   3HD1  LEU   4          3HD1      LEU   4   7.434  -2.957 -12.879
   47   1HD2  LEU   4          1HD2      LEU   4   6.736  -4.192 -10.015
   48   2HD2  LEU   4          2HD2      LEU   4   6.318  -5.627 -10.952
   49   3HD2  LEU   4          3HD2      LEU   4   5.065  -4.751 -10.071
   50    H    PHE   5           H        PHE   5   0.864  -3.318 -11.645
   51    HA   PHE   5           HA       PHE   5   0.625  -2.545  -8.879
   52   1HB   PHE   5          2HB       PHE   5  -0.773  -1.663 -10.712
   53   2HB   PHE   5          1HB       PHE   5  -1.451  -3.271 -10.973
   54    HD1  PHE   5           HD1      PHE   5  -3.047  -4.242  -9.420
   55    HD2  PHE   5           HD2      PHE   5  -1.319  -0.381  -8.677
   56    HE1  PHE   5           HE1      PHE   5  -4.731  -3.829  -7.648
   57    HE2  PHE   5           HE2      PHE   5  -3.004   0.033  -6.906
   58    HZ   PHE   5           HZ       PHE   5  -4.710  -1.691  -6.390
   59    H    LYS   6           H        LYS   6   0.730  -5.576 -10.367
   60    HA   LYS   6           HA       LYS   6  -1.145  -7.098  -8.836
   61   1HB   LYS   6          2HB       LYS   6   0.992  -7.459 -10.724
   62   2HB   LYS   6          1HB       LYS   6   1.201  -8.618  -9.409
   63   1HG   LYS   6          2HG       LYS   6  -1.448  -8.881  -9.770
   64   2HG   LYS   6          1HG       LYS   6  -1.001  -8.390 -11.403
   65   1HD   LYS   6          2HD       LYS   6  -0.673 -10.662 -11.608
   66   2HD   LYS   6          1HD       LYS   6   0.923 -10.205 -11.012
   67   1HE   LYS   6          2HE       LYS   6  -0.903 -10.587  -8.788
   68   2HE   LYS   6          1HE       LYS   6  -0.838 -12.039  -9.806
   69   1HZ   LYS   6          1HZ       LYS   6   1.674 -10.640  -9.301
   70   2HZ   LYS   6          2HZ       LYS   6   1.375 -12.304  -9.470
   71   3HZ   LYS   6          3HZ       LYS   6   1.017 -11.518  -8.007
   72    H    LYS   7           H        LYS   7   2.094  -5.894  -8.126
   73    HA   LYS   7           HA       LYS   7   2.091  -7.366  -5.528
   74   1HB   LYS   7          2HB       LYS   7   4.015  -7.559  -7.086
   75   2HB   LYS   7          1HB       LYS   7   4.248  -5.812  -6.977
   76   1HG   LYS   7          2HG       LYS   7   4.991  -5.902  -4.793
   77   2HG   LYS   7          1HG       LYS   7   4.093  -7.377  -4.440
   78   1HD   LYS   7          2HD       LYS   7   5.766  -8.361  -6.295
   79   2HD   LYS   7          1HD       LYS   7   6.779  -7.049  -5.689
   80   1HE   LYS   7          2HE       LYS   7   7.245  -9.034  -4.356
   81   2HE   LYS   7          1HE       LYS   7   6.318  -7.910  -3.341
   82   1HZ   LYS   7          1HZ       LYS   7   4.888  -9.814  -5.065
   83   2HZ   LYS   7          2HZ       LYS   7   4.391  -9.105  -3.602
   84   3HZ   LYS   7          3HZ       LYS   7   5.530 -10.366  -3.595
   85    H    ILE   8           H        ILE   8   0.327  -5.600  -5.068
   86    HA   ILE   8           HA       ILE   8   1.697  -3.238  -3.834
   87    HB   ILE   8           HB       ILE   8  -1.027  -3.323  -5.172
   88   1HG1  ILE   8          2HG1      ILE   8   0.883  -3.629  -6.762
   89   2HG1  ILE   8          1HG1      ILE   8   0.023  -2.110  -7.014
   90   1HG2  ILE   8          1HG2      ILE   8   0.321  -1.422  -3.450
   91   2HG2  ILE   8          2HG2      ILE   8  -1.327  -1.378  -4.076
   92   3HG2  ILE   8          3HG2      ILE   8  -0.003  -0.707  -5.028
   93   1HD1  ILE   8          1HD1      ILE   8   2.736  -2.571  -5.812
   94   2HD1  ILE   8          2HD1      ILE   8   1.805  -1.151  -5.332
   95   3HD1  ILE   8          3HD1      ILE   8   2.241  -1.391  -7.024
   96    HA   PRO   9           HA       PRO   9  -0.408  -5.096  -0.362
   97   1HB   PRO   9          2HB       PRO   9   0.679  -3.461   1.538
   98   2HB   PRO   9          1HB       PRO   9   1.561  -4.820   0.813
   99   1HG   PRO   9          2HG       PRO   9   1.774  -1.914   0.255
  100   2HG   PRO   9          1HG       PRO   9   3.029  -3.162   0.255
  101   1HD   PRO   9          2HD       PRO   9   1.850  -2.121  -2.009
  102   2HD   PRO   9          1HD       PRO   9   2.660  -3.701  -1.924
  103    H    LYS  10           H        LYS  10  -1.027  -2.209  -1.862
  104    HA   LYS  10           HA       LYS  10  -2.669  -0.970   0.253
  105   1HB   LYS  10          2HB       LYS  10  -1.271  -0.050  -1.894
  106   2HB   LYS  10          1HB       LYS  10  -2.892  -0.134  -2.586
  107   1HG   LYS  10          2HG       LYS  10  -3.637   1.605  -1.339
  108   2HG   LYS  10          1HG       LYS  10  -2.839   1.012   0.118
  109   1HD   LYS  10          2HD       LYS  10  -1.058   2.055  -2.020
  110   2HD   LYS  10          1HD       LYS  10  -2.047   3.250  -1.179
  111   1HE   LYS  10          2HE       LYS  10  -1.108   1.670   0.902
  112   2HE   LYS  10          1HE       LYS  10   0.284   1.763  -0.196
  113   1HZ   LYS  10          1HZ       LYS  10  -0.337   4.217  -0.389
  114   2HZ   LYS  10          2HZ       LYS  10   0.423   3.717   1.045
  115   3HZ   LYS  10          3HZ       LYS  10  -1.255   3.978   1.017
  116    H    PHE  11           H        PHE  11  -3.232  -3.735  -1.120
  117    HA   PHE  11           HA       PHE  11  -5.618  -3.538  -2.668
  118   1HB   PHE  11          2HB       PHE  11  -4.275  -5.559  -2.507
  119   2HB   PHE  11          1HB       PHE  11  -4.546  -5.647  -0.767
  120    HD1  PHE  11           HD1      PHE  11  -6.244  -7.042   0.012
  121    HD2  PHE  11           HD2      PHE  11  -6.515  -5.421  -3.958
  122    HE1  PHE  11           HE1      PHE  11  -8.324  -8.337  -0.377
  123    HE2  PHE  11           HE2      PHE  11  -8.595  -6.716  -4.346
  124    HZ   PHE  11           HZ       PHE  11  -9.499  -8.174  -2.554
  125    H    LEU  12           H        LEU  12  -5.132  -3.877   0.853
  126    HA   LEU  12           HA       LEU  12  -7.976  -3.896   1.460
  127   1HB   LEU  12          2HB       LEU  12  -5.393  -4.089   2.793
  128   2HB   LEU  12          1HB       LEU  12  -6.520  -3.098   3.720
  129    HG   LEU  12           HG       LEU  12  -7.626  -5.604   2.574
  130   1HD1  LEU  12          1HD1      LEU  12  -5.518  -5.526   4.738
  131   2HD1  LEU  12          2HD1      LEU  12  -5.583  -6.564   3.313
  132   3HD1  LEU  12          3HD1      LEU  12  -6.710  -6.825   4.644
  133   1HD2  LEU  12          1HD2      LEU  12  -7.871  -3.956   5.085
  134   2HD2  LEU  12          2HD2      LEU  12  -8.505  -5.600   5.033
  135   3HD2  LEU  12          3HD2      LEU  12  -9.122  -4.382   3.916
  136    H    HIS  13           H        HIS  13  -5.530  -1.410   1.042
  137    HA   HIS  13           HA       HIS  13  -6.873   0.726   2.418
  138   1HB   HIS  13          2HB       HIS  13  -4.481   0.283   1.077
  139   2HB   HIS  13          1HB       HIS  13  -5.308   1.448   0.044
  140    HD1  HIS  13           HD1      HIS  13  -6.534   3.460   1.659
  141    HD2  HIS  13           HD2      HIS  13  -3.066   1.603   3.038
  142    HE1  HIS  13           HE1      HIS  13  -5.547   4.999   3.411
  143    H    SER  14           H        SER  14  -7.349  -0.787  -0.691
  144    HA   SER  14           HA       SER  14  -8.884   1.405  -1.857
  145   1HB   SER  14          2HB       SER  14  -7.613  -0.235  -3.190
  146   2HB   SER  14          1HB       SER  14  -8.604  -1.540  -2.543
  147    HG   SER  14           HG       SER  14  -9.259   0.506  -4.353
  148    H    ALA  15           H        ALA  15  -9.500  -0.896   0.527
  149    HA   ALA  15           HA       ALA  15 -12.303  -1.450  -0.050
  150   1HB   ALA  15          1HB       ALA  15 -10.254  -2.364   1.646
  151   2HB   ALA  15          2HB       ALA  15 -11.913  -2.964   1.591
  152   3HB   ALA  15          3HB       ALA  15 -11.473  -1.688   2.728
  153    H    LYS  16           H        LYS  16 -10.607   1.247   1.144
  154    HA   LYS  16           HA       LYS  16 -12.436   2.274   3.099
  155   1HB   LYS  16          2HB       LYS  16 -10.016   2.974   1.776
  156   2HB   LYS  16          1HB       LYS  16 -11.121   4.335   1.582
  157   1HG   LYS  16          2HG       LYS  16 -10.042   4.755   3.647
  158   2HG   LYS  16          1HG       LYS  16 -11.603   4.071   4.101
  159   1HD   LYS  16          2HD       LYS  16 -10.683   2.095   4.833
  160   2HD   LYS  16          1HD       LYS  16  -9.363   2.155   3.663
  161   1HE   LYS  16          2HE       LYS  16  -8.772   4.343   5.191
  162   2HE   LYS  16          1HE       LYS  16  -9.488   3.263   6.405
  163   1HZ   LYS  16          1HZ       LYS  16  -7.193   2.695   6.202
  164   2HZ   LYS  16          2HZ       LYS  16  -7.292   2.627   4.507
  165   3HZ   LYS  16          3HZ       LYS  16  -8.086   1.461   5.455
  166    H    LYS  17           H        LYS  17 -12.802   1.830  -0.256
  167    HA   LYS  17           HA       LYS  17 -14.371   4.147  -0.944
  168   1HB   LYS  17          2HB       LYS  17 -14.995   2.729  -2.872
  169   2HB   LYS  17          1HB       LYS  17 -13.267   2.596  -2.536
  170   1HG   LYS  17          2HG       LYS  17 -13.437   0.431  -1.774
  171   2HG   LYS  17          1HG       LYS  17 -15.067   0.670  -1.143
  172   1HD   LYS  17          2HD       LYS  17 -15.674   0.938  -3.707
  173   2HD   LYS  17          1HD       LYS  17 -14.191   0.010  -3.932
  174   1HE   LYS  17          2HE       LYS  17 -15.194  -1.592  -2.122
  175   2HE   LYS  17          1HE       LYS  17 -16.736  -0.822  -2.547
  176   1HZ   LYS  17          1HZ       LYS  17 -15.691  -2.842  -3.934
  177   2HZ   LYS  17          2HZ       LYS  17 -15.009  -1.531  -4.774
  178   3HZ   LYS  17          3HZ       LYS  17 -16.696  -1.663  -4.624
  179    H    PHE  18           H        PHE  18 -15.017   1.585   1.171
  180    HA   PHE  18           HA       PHE  18 -17.845   1.195   0.668
  181   1HB   PHE  18          2HB       PHE  18 -16.155  -0.298   1.878
  182   2HB   PHE  18          1HB       PHE  18 -16.313   0.801   3.248
  183    HD1  PHE  18           HD1      PHE  18 -17.771  -1.984   1.487
  184    HD2  PHE  18           HD2      PHE  18 -18.651   1.220   4.208
  185    HE1  PHE  18           HE1      PHE  18 -19.847  -3.147   2.186
  186    HE2  PHE  18           HE2      PHE  18 -20.727   0.057   4.908
  187    HZ   PHE  18           HZ       PHE  18 -21.325  -2.127   3.896
  188   1HN   NH2  19          1HN       NH2  19 -16.426   2.622   3.663
  189   2HN   NH2  19          2HN       NH2  19 -17.589   3.848   3.820
  Start of MODEL    6
    1   1H    LYS   1          1H        LYS   1   6.385 -14.978   7.739
    2   2H    LYS   1          2H        LYS   1   7.687 -16.047   7.961
    3   3H    LYS   1          3H        LYS   1   6.202 -16.624   7.371
    4    HA   LYS   1           HA       LYS   1   8.075 -14.794   5.955
    5   1HB   LYS   1          2HB       LYS   1   8.272 -16.775   4.479
    6   2HB   LYS   1          1HB       LYS   1   8.721 -17.174   6.138
    7   1HG   LYS   1          2HG       LYS   1   5.850 -17.505   5.495
    8   2HG   LYS   1          1HG       LYS   1   6.940 -18.622   4.673
    9   1HD   LYS   1          2HD       LYS   1   7.282 -18.140   7.616
   10   2HD   LYS   1          1HD       LYS   1   6.009 -19.227   7.062
   11   1HE   LYS   1          2HE       LYS   1   7.574 -20.693   6.006
   12   2HE   LYS   1          1HE       LYS   1   8.885 -19.501   6.141
   13   1HZ   LYS   1          1HZ       LYS   1   7.456 -20.348   8.564
   14   2HZ   LYS   1          2HZ       LYS   1   9.050 -19.788   8.396
   15   3HZ   LYS   1          3HZ       LYS   1   8.649 -21.370   7.924
   16    H    TRP   2           H        TRP   2   4.821 -15.718   6.479
   17    HA   TRP   2           HA       TRP   2   4.013 -14.735   3.765
   18   1HB   TRP   2          2HB       TRP   2   2.006 -16.055   4.127
   19   2HB   TRP   2          1HB       TRP   2   3.397 -17.063   4.527
   20    HD1  TRP   2           HD1      TRP   2   0.652 -14.964   6.209
   21    HE1  TRP   2           HE1      TRP   2   0.332 -15.820   8.619
   22    HE3  TRP   2           HE3      TRP   2   4.454 -18.365   6.448
   23    HZ2  TRP   2           HZ2      TRP   2   1.530 -17.700  10.412
   24    HZ3  TRP   2           HZ3      TRP   2   4.842 -19.673   8.517
   25    HH2  TRP   2           HH2      TRP   2   3.387 -19.346  10.497
   26    H    LYS   3           H        LYS   3   3.743 -14.196   7.219
   27    HA   LYS   3           HA       LYS   3   1.481 -12.388   7.128
   28   1HB   LYS   3          2HB       LYS   3   2.063 -13.523   9.166
   29   2HB   LYS   3          1HB       LYS   3   3.726 -12.943   9.084
   30   1HG   LYS   3          2HG       LYS   3   3.189 -10.881   9.911
   31   2HG   LYS   3          1HG       LYS   3   1.632 -10.843   9.083
   32   1HD   LYS   3          2HD       LYS   3   0.743 -11.236  11.133
   33   2HD   LYS   3          1HD       LYS   3   1.278 -12.898  10.884
   34   1HE   LYS   3          2HE       LYS   3   3.590 -11.671  11.781
   35   2HE   LYS   3          1HE       LYS   3   2.326 -10.873  12.738
   36   1HZ   LYS   3          1HZ       LYS   3   1.378 -13.253  12.925
   37   2HZ   LYS   3          2HZ       LYS   3   2.679 -12.808  13.924
   38   3HZ   LYS   3          3HZ       LYS   3   2.954 -13.746  12.534
   39    H    LEU   4           H        LEU   4   4.600 -12.078   5.950
   40    HA   LEU   4           HA       LEU   4   5.192  -9.332   6.664
   41   1HB   LEU   4          2HB       LEU   4   6.112 -11.316   4.581
   42   2HB   LEU   4          1HB       LEU   4   6.763  -9.682   4.634
   43    HG   LEU   4           HG       LEU   4   7.903 -11.707   5.952
   44   1HD1  LEU   4          1HD1      LEU   4   9.225  -9.960   6.448
   45   2HD1  LEU   4          2HD1      LEU   4   8.116  -9.510   7.744
   46   3HD1  LEU   4          3HD1      LEU   4   7.896  -8.845   6.125
   47   1HD2  LEU   4          1HD2      LEU   4   7.261 -11.670   8.331
   48   2HD2  LEU   4          2HD2      LEU   4   5.908 -12.196   7.331
   49   3HD2  LEU   4          3HD2      LEU   4   5.948 -10.550   7.966
   50    H    PHE   5           H        PHE   5   3.134 -10.847   4.395
   51    HA   PHE   5           HA       PHE   5   3.039  -8.916   2.299
   52   1HB   PHE   5          2HB       PHE   5   1.966 -11.346   2.801
   53   2HB   PHE   5          1HB       PHE   5   0.560 -10.333   3.127
   54    HD1  PHE   5           HD1      PHE   5  -0.035  -8.533   1.348
   55    HD2  PHE   5           HD2      PHE   5   2.536 -11.890   0.588
   56    HE1  PHE   5           HE1      PHE   5  -0.412  -8.271  -1.089
   57    HE2  PHE   5           HE2      PHE   5   2.159 -11.628  -1.848
   58    HZ   PHE   5           HZ       PHE   5   0.686  -9.818  -2.688
   59    H    LYS   6           H        LYS   6   2.071  -8.643   5.541
   60    HA   LYS   6           HA       LYS   6  -0.157  -6.790   5.132
   61   1HB   LYS   6          2HB       LYS   6   1.204  -8.214   7.274
   62   2HB   LYS   6          1HB       LYS   6   0.861  -6.547   7.738
   63   1HG   LYS   6          2HG       LYS   6  -1.477  -7.305   6.480
   64   2HG   LYS   6          1HG       LYS   6  -0.992  -8.786   7.308
   65   1HD   LYS   6          2HD       LYS   6  -0.908  -6.160   8.771
   66   2HD   LYS   6          1HD       LYS   6  -2.437  -7.023   8.600
   67   1HE   LYS   6          2HE       LYS   6  -1.817  -8.653  10.076
   68   2HE   LYS   6          1HE       LYS   6  -0.155  -8.709   9.454
   69   1HZ   LYS   6          1HZ       LYS   6  -0.027  -6.342  10.452
   70   2HZ   LYS   6          2HZ       LYS   6   0.137  -7.682  11.483
   71   3HZ   LYS   6          3HZ       LYS   6  -1.340  -6.844  11.402
   72    H    LYS   7           H        LYS   7   3.043  -6.428   4.506
   73    HA   LYS   7           HA       LYS   7   3.786  -3.999   5.833
   74   1HB   LYS   7          2HB       LYS   7   4.557  -5.264   3.185
   75   2HB   LYS   7          1HB       LYS   7   5.410  -3.893   3.897
   76   1HG   LYS   7          2HG       LYS   7   4.971  -6.209   5.698
   77   2HG   LYS   7          1HG       LYS   7   6.100  -6.474   4.369
   78   1HD   LYS   7          2HD       LYS   7   6.837  -3.975   5.275
   79   2HD   LYS   7          1HD       LYS   7   6.398  -4.805   6.769
   80   1HE   LYS   7          2HE       LYS   7   8.714  -5.314   6.435
   81   2HE   LYS   7          1HE       LYS   7   7.851  -6.764   5.884
   82   1HZ   LYS   7          1HZ       LYS   7   8.293  -4.561   3.994
   83   2HZ   LYS   7          2HZ       LYS   7   8.134  -6.224   3.690
   84   3HZ   LYS   7          3HZ       LYS   7   9.583  -5.611   4.329
   85    H    ILE   8           H        ILE   8   2.655  -4.454   2.456
   86    HA   ILE   8           HA       ILE   8   1.832  -1.584   2.418
   87    HB   ILE   8           HB       ILE   8   2.539  -3.693   0.381
   88   1HG1  ILE   8          2HG1      ILE   8   4.156  -2.036  -0.325
   89   2HG1  ILE   8          1HG1      ILE   8   3.413  -0.806   0.699
   90   1HG2  ILE   8          1HG2      ILE   8   0.722  -2.862  -0.789
   91   2HG2  ILE   8          2HG2      ILE   8   1.939  -1.671  -1.246
   92   3HG2  ILE   8          3HG2      ILE   8   0.778  -1.299   0.027
   93   1HD1  ILE   8          1HD1      ILE   8   4.115  -1.904   2.697
   94   2HD1  ILE   8          2HD1      ILE   8   5.521  -1.917   1.632
   95   3HD1  ILE   8          3HD1      ILE   8   4.546  -3.374   1.823
   96    HA   PRO   9           HA       PRO   9  -2.232  -3.517   2.878
   97   1HB   PRO   9          2HB       PRO   9  -3.428  -1.295   3.929
   98   2HB   PRO   9          1HB       PRO   9  -2.460  -2.420   4.901
   99   1HG   PRO   9          2HG       PRO   9  -1.749   0.253   3.834
  100   2HG   PRO   9          1HG       PRO   9  -1.256  -0.534   5.340
  101   1HD   PRO   9          2HD       PRO   9   0.307  -0.331   3.065
  102   2HD   PRO   9          1HD       PRO   9   0.549  -1.512   4.371
  103    H    LYS  10           H        LYS  10  -1.006  -1.475   0.646
  104    HA   LYS  10           HA       LYS  10  -2.979   0.147  -0.434
  105   1HB   LYS  10          2HB       LYS  10  -0.599  -0.513  -1.240
  106   2HB   LYS  10          1HB       LYS  10  -1.410  -1.819  -2.107
  107   1HG   LYS  10          2HG       LYS  10  -1.520  -0.207  -3.745
  108   2HG   LYS  10          1HG       LYS  10  -2.994   0.209  -2.867
  109   1HD   LYS  10          2HD       LYS  10  -2.142   2.182  -2.167
  110   2HD   LYS  10          1HD       LYS  10  -0.606   1.446  -1.711
  111   1HE   LYS  10          2HE       LYS  10  -0.109   2.982  -3.499
  112   2HE   LYS  10          1HE       LYS  10  -0.075   1.364  -4.229
  113   1HZ   LYS  10          1HZ       LYS  10  -1.473   2.680  -5.593
  114   2HZ   LYS  10          2HZ       LYS  10  -2.307   3.320  -4.258
  115   3HZ   LYS  10          3HZ       LYS  10  -2.505   1.687  -4.684
  116    H    PHE  11           H        PHE  11  -2.977  -3.339  -0.190
  117    HA   PHE  11           HA       PHE  11  -4.946  -3.968  -2.172
  118   1HB   PHE  11          2HB       PHE  11  -4.005  -5.911  -1.427
  119   2HB   PHE  11          1HB       PHE  11  -3.488  -5.157   0.077
  120    HD1  PHE  11           HD1      PHE  11  -6.767  -6.064  -1.527
  121    HD2  PHE  11           HD2      PHE  11  -4.316  -6.167   1.999
  122    HE1  PHE  11           HE1      PHE  11  -8.567  -7.259  -0.312
  123    HE2  PHE  11           HE2      PHE  11  -6.117  -7.365   3.214
  124    HZ   PHE  11           HZ       PHE  11  -8.242  -7.910   2.059
  125    H    LEU  12           H        LEU  12  -5.297  -3.867   1.355
  126    HA   LEU  12           HA       LEU  12  -8.184  -3.680   1.283
  127   1HB   LEU  12          2HB       LEU  12  -7.872  -3.323   3.730
  128   2HB   LEU  12          1HB       LEU  12  -6.919  -4.680   3.133
  129    HG   LEU  12           HG       LEU  12  -4.984  -3.003   2.886
  130   1HD1  LEU  12          1HD1      LEU  12  -7.107  -1.306   3.958
  131   2HD1  LEU  12          2HD1      LEU  12  -5.584  -0.853   3.192
  132   3HD1  LEU  12          3HD1      LEU  12  -5.626  -1.232   4.913
  133   1HD2  LEU  12          1HD2      LEU  12  -6.148  -4.158   5.356
  134   2HD2  LEU  12          2HD2      LEU  12  -4.896  -2.939   5.596
  135   3HD2  LEU  12          3HD2      LEU  12  -4.548  -4.388   4.653
  136    H    HIS  13           H        HIS  13  -5.851  -1.393   0.536
  137    HA   HIS  13           HA       HIS  13  -6.908   0.969   1.808
  138   1HB   HIS  13          2HB       HIS  13  -4.779   0.200   0.128
  139   2HB   HIS  13          1HB       HIS  13  -5.679   1.414  -0.783
  140    HD1  HIS  13           HD1      HIS  13  -6.242   3.682   0.665
  141    HD2  HIS  13           HD2      HIS  13  -3.126   1.291   2.060
  142    HE1  HIS  13           HE1      HIS  13  -4.884   5.125   2.242
  143    H    SER  14           H        SER  14  -7.652  -0.729  -1.210
  144    HA   SER  14           HA       SER  14  -9.397   1.364  -2.243
  145   1HB   SER  14          2HB       SER  14  -8.576  -1.424  -2.916
  146   2HB   SER  14          1HB       SER  14 -10.073  -0.834  -3.630
  147    HG   SER  14           HG       SER  14  -8.019  -0.422  -4.796
  148    H    ALA  15           H        ALA  15  -9.699  -1.074   0.111
  149    HA   ALA  15           HA       ALA  15 -12.569  -1.558  -0.172
  150   1HB   ALA  15          1HB       ALA  15 -10.326  -2.624   1.198
  151   2HB   ALA  15          2HB       ALA  15 -11.970  -3.262   1.190
  152   3HB   ALA  15          3HB       ALA  15 -11.472  -2.123   2.441
  153    H    LYS  16           H        LYS  16 -10.584   0.873   1.264
  154    HA   LYS  16           HA       LYS  16 -12.364   1.725   3.379
  155   1HB   LYS  16          2HB       LYS  16  -9.873   2.521   2.054
  156   2HB   LYS  16          1HB       LYS  16 -10.839   3.905   2.564
  157   1HG   LYS  16          2HG       LYS  16 -10.760   1.801   4.591
  158   2HG   LYS  16          1HG       LYS  16  -9.154   2.415   4.196
  159   1HD   LYS  16          2HD       LYS  16  -9.552   4.349   5.279
  160   2HD   LYS  16          1HD       LYS  16 -11.055   4.593   4.390
  161   1HE   LYS  16          2HE       LYS  16 -11.052   2.525   6.559
  162   2HE   LYS  16          1HE       LYS  16 -11.095   4.236   7.032
  163   1HZ   LYS  16          1HZ       LYS  16 -12.876   3.008   4.995
  164   2HZ   LYS  16          2HZ       LYS  16 -12.944   4.605   5.569
  165   3HZ   LYS  16          3HZ       LYS  16 -13.329   3.311   6.600
  166    H    LYS  17           H        LYS  17 -12.451   2.045  -0.050
  167    HA   LYS  17           HA       LYS  17 -14.019   4.535  -0.069
  168   1HB   LYS  17          2HB       LYS  17 -12.525   2.866  -1.873
  169   2HB   LYS  17          1HB       LYS  17 -14.143   3.111  -2.532
  170   1HG   LYS  17          2HG       LYS  17 -13.574   5.631  -1.673
  171   2HG   LYS  17          1HG       LYS  17 -11.961   5.068  -2.114
  172   1HD   LYS  17          2HD       LYS  17 -13.565   4.164  -4.202
  173   2HD   LYS  17          1HD       LYS  17 -14.210   5.766  -3.840
  174   1HE   LYS  17          2HE       LYS  17 -12.055   6.800  -4.159
  175   2HE   LYS  17          1HE       LYS  17 -11.249   5.221  -4.243
  176   1HZ   LYS  17          1HZ       LYS  17 -13.501   5.779  -6.046
  177   2HZ   LYS  17          2HZ       LYS  17 -12.174   4.743  -6.270
  178   3HZ   LYS  17          3HZ       LYS  17 -11.979   6.423  -6.425
  179    H    PHE  18           H        PHE  18 -14.776   1.477   0.877
  180    HA   PHE  18           HA       PHE  18 -17.221   0.945  -0.567
  181   1HB   PHE  18          2HB       PHE  18 -16.749  -0.992   0.507
  182   2HB   PHE  18          1HB       PHE  18 -15.564  -0.174   1.518
  183    HD1  PHE  18           HD1      PHE  18 -16.150   0.637   3.747
  184    HD2  PHE  18           HD2      PHE  18 -19.065  -1.303   1.259
  185    HE1  PHE  18           HE1      PHE  18 -17.651   0.385   5.704
  186    HE2  PHE  18           HE2      PHE  18 -20.568  -1.553   3.215
  187    HZ   PHE  18           HZ       PHE  18 -19.862  -0.710   5.437
  188   1HN   NH2  19          1HN       NH2  19 -16.448   3.285   1.852
  189   2HN   NH2  19          2HN       NH2  19 -18.037   3.680   2.306
  Start of MODEL    7
    1   1H    LYS   1          1H        LYS   1  16.510   2.604  -6.594
    2   2H    LYS   1          2H        LYS   1  17.617   3.753  -6.008
    3   3H    LYS   1          3H        LYS   1  15.999   4.191  -6.286
    4    HA   LYS   1           HA       LYS   1  16.536   2.011  -4.390
    5   1HB   LYS   1          2HB       LYS   1  18.166   3.942  -4.048
    6   2HB   LYS   1          1HB       LYS   1  16.762   4.961  -3.727
    7   1HG   LYS   1          2HG       LYS   1  16.918   4.281  -1.579
    8   2HG   LYS   1          1HG       LYS   1  16.325   2.716  -2.136
    9   1HD   LYS   1          2HD       LYS   1  18.287   1.819  -1.495
   10   2HD   LYS   1          1HD       LYS   1  19.070   2.753  -2.770
   11   1HE   LYS   1          2HE       LYS   1  19.122   4.710  -1.104
   12   2HE   LYS   1          1HE       LYS   1  18.717   3.509   0.140
   13   1HZ   LYS   1          1HZ       LYS   1  21.090   3.626  -0.046
   14   2HZ   LYS   1          2HZ       LYS   1  21.024   3.427  -1.732
   15   3HZ   LYS   1          3HZ       LYS   1  20.583   2.147  -0.705
   16    H    TRP   2           H        TRP   2  14.259   2.406  -5.999
   17    HA   TRP   2           HA       TRP   2  12.279   3.329  -3.954
   18   1HB   TRP   2          2HB       TRP   2  11.094   4.553  -5.700
   19   2HB   TRP   2          1HB       TRP   2  12.775   5.084  -5.678
   20    HD1  TRP   2           HD1      TRP   2  10.713   2.347  -7.499
   21    HE1  TRP   2           HE1      TRP   2  11.544   2.212  -9.934
   22    HE3  TRP   2           HE3      TRP   2  14.419   5.860  -7.364
   23    HZ2  TRP   2           HZ2      TRP   2  13.515   3.431 -11.605
   24    HZ3  TRP   2           HZ3      TRP   2  15.756   6.354  -9.393
   25    HH2  TRP   2           HH2      TRP   2  15.309   5.145 -11.510
   26    H    LYS   3           H        LYS   3  13.348   0.797  -5.757
   27    HA   LYS   3           HA       LYS   3  10.968  -0.258  -6.965
   28   1HB   LYS   3          2HB       LYS   3  13.601  -1.355  -5.991
   29   2HB   LYS   3          1HB       LYS   3  12.376  -2.427  -6.670
   30   1HG   LYS   3          2HG       LYS   3  12.421  -1.323  -8.774
   31   2HG   LYS   3          1HG       LYS   3  13.294   0.061  -8.116
   32   1HD   LYS   3          2HD       LYS   3  14.466  -2.725  -8.133
   33   2HD   LYS   3          1HD       LYS   3  14.693  -1.597  -9.470
   34   1HE   LYS   3          2HE       LYS   3  16.497  -0.852  -8.285
   35   2HE   LYS   3          1HE       LYS   3  15.303  -0.046  -7.248
   36   1HZ   LYS   3          1HZ       LYS   3  16.875  -2.397  -6.724
   37   2HZ   LYS   3          2HZ       LYS   3  15.220  -2.630  -6.419
   38   3HZ   LYS   3          3HZ       LYS   3  16.063  -1.379  -5.639
   39    H    LEU   4           H        LEU   4  11.729   0.199  -3.710
   40    HA   LEU   4           HA       LEU   4  10.352  -2.183  -2.669
   41   1HB   LEU   4          2HB       LEU   4  11.469   0.361  -1.457
   42   2HB   LEU   4          1HB       LEU   4  10.766  -0.942  -0.499
   43    HG   LEU   4           HG       LEU   4  12.929  -1.560  -2.492
   44   1HD1  LEU   4          1HD1      LEU   4  13.583   0.372  -0.906
   45   2HD1  LEU   4          2HD1      LEU   4  14.649  -1.033  -0.949
   46   3HD1  LEU   4          3HD1      LEU   4  13.509  -0.832   0.381
   47   1HD2  LEU   4          1HD2      LEU   4  13.353  -3.398  -0.929
   48   2HD2  LEU   4          2HD2      LEU   4  11.642  -3.371  -1.356
   49   3HD2  LEU   4          3HD2      LEU   4  12.172  -2.737   0.203
   50    H    PHE   5           H        PHE   5   9.300   0.634  -4.090
   51    HA   PHE   5           HA       PHE   5   7.079   1.281  -2.304
   52   1HB   PHE   5          2HB       PHE   5   8.198   2.949  -3.710
   53   2HB   PHE   5          1HB       PHE   5   7.776   2.033  -5.157
   54    HD1  PHE   5           HD1      PHE   5   5.973   2.854  -6.362
   55    HD2  PHE   5           HD2      PHE   5   6.009   3.310  -2.091
   56    HE1  PHE   5           HE1      PHE   5   3.788   4.021  -6.469
   57    HE2  PHE   5           HE2      PHE   5   3.823   4.475  -2.197
   58    HZ   PHE   5           HZ       PHE   5   2.713   4.832  -4.387
   59    H    LYS   6           H        LYS   6   7.650  -1.217  -4.468
   60    HA   LYS   6           HA       LYS   6   4.757  -1.491  -5.183
   61   1HB   LYS   6          2HB       LYS   6   5.538  -2.801  -7.023
   62   2HB   LYS   6          1HB       LYS   6   6.660  -1.445  -6.909
   63   1HG   LYS   6          2HG       LYS   6   8.305  -2.993  -6.835
   64   2HG   LYS   6          1HG       LYS   6   7.760  -3.332  -5.192
   65   1HD   LYS   6          2HD       LYS   6   7.445  -5.445  -5.980
   66   2HD   LYS   6          1HD       LYS   6   5.956  -4.778  -6.650
   67   1HE   LYS   6          2HE       LYS   6   7.608  -4.076  -8.642
   68   2HE   LYS   6          1HE       LYS   6   8.502  -5.487  -8.044
   69   1HZ   LYS   6          1HZ       LYS   6   6.979  -6.510  -9.392
   70   2HZ   LYS   6          2HZ       LYS   6   5.778  -5.336  -9.130
   71   3HZ   LYS   6          3HZ       LYS   6   6.109  -6.499  -7.937
   72    H    LYS   7           H        LYS   7   6.777  -2.449  -2.777
   73    HA   LYS   7           HA       LYS   7   5.853  -5.279  -2.691
   74   1HB   LYS   7          2HB       LYS   7   7.627  -5.552  -1.107
   75   2HB   LYS   7          1HB       LYS   7   8.263  -4.478  -2.352
   76   1HG   LYS   7          2HG       LYS   7   8.805  -3.117  -0.620
   77   2HG   LYS   7          1HG       LYS   7   7.092  -2.695  -0.622
   78   1HD   LYS   7          2HD       LYS   7   6.853  -3.601   1.421
   79   2HD   LYS   7          1HD       LYS   7   7.410  -5.158   0.805
   80   1HE   LYS   7          2HE       LYS   7   9.780  -4.369   1.100
   81   2HE   LYS   7          1HE       LYS   7   9.142  -2.909   1.884
   82   1HZ   LYS   7          1HZ       LYS   7   8.813  -5.727   2.736
   83   2HZ   LYS   7          2HZ       LYS   7   7.815  -4.483   3.321
   84   3HZ   LYS   7          3HZ       LYS   7   9.487  -4.445   3.616
   85    H    ILE   8           H        ILE   8   4.729  -2.308  -1.680
   86    HA   ILE   8           HA       ILE   8   3.736  -3.213   0.966
   87    HB   ILE   8           HB       ILE   8   3.326  -0.622  -0.562
   88   1HG1  ILE   8          2HG1      ILE   8   5.744  -1.265  -0.146
   89   2HG1  ILE   8          1HG1      ILE   8   5.243   0.245   0.616
   90   1HG2  ILE   8          1HG2      ILE   8   1.785  -1.161   1.381
   91   2HG2  ILE   8          2HG2      ILE   8   2.731   0.316   1.571
   92   3HG2  ILE   8          3HG2      ILE   8   3.212  -1.154   2.417
   93   1HD1  ILE   8          1HD1      ILE   8   6.498  -1.067   2.235
   94   2HD1  ILE   8          2HD1      ILE   8   5.462  -2.467   1.955
   95   3HD1  ILE   8          3HD1      ILE   8   4.806  -1.024   2.730
   96    HA   PRO   9           HA       PRO   9  -0.010  -4.546  -1.069
   97   1HB   PRO   9          2HB       PRO   9  -1.290  -5.390   1.190
   98   2HB   PRO   9          1HB       PRO   9   0.000  -6.323   0.405
   99   1HG   PRO   9          2HG       PRO   9   0.099  -4.638   2.842
  100   2HG   PRO   9          1HG       PRO   9   0.971  -6.128   2.459
  101   1HD   PRO   9          2HD       PRO   9   2.048  -3.589   2.329
  102   2HD   PRO   9          1HD       PRO   9   2.684  -5.010   1.473
  103    H    LYS  10           H        LYS  10  -0.886  -2.506  -1.696
  104    HA   LYS  10           HA       LYS  10  -2.319  -0.907   0.368
  105   1HB   LYS  10          2HB       LYS  10  -1.362  -0.536  -2.462
  106   2HB   LYS  10          1HB       LYS  10  -2.616   0.528  -1.827
  107   1HG   LYS  10          2HG       LYS  10  -1.191   1.567  -0.373
  108   2HG   LYS  10          1HG       LYS  10  -0.271   0.095  -0.063
  109   1HD   LYS  10          2HD       LYS  10   0.272   0.571  -2.722
  110   2HD   LYS  10          1HD       LYS  10   0.194   2.203  -2.056
  111   1HE   LYS  10          2HE       LYS  10   1.635   0.551  -0.203
  112   2HE   LYS  10          1HE       LYS  10   2.340   0.345  -1.819
  113   1HZ   LYS  10          1HZ       LYS  10   1.533   3.040  -1.045
  114   2HZ   LYS  10          2HZ       LYS  10   2.849   2.533  -1.993
  115   3HZ   LYS  10          3HZ       LYS  10   2.924   2.419  -0.299
  116    H    PHE  11           H        PHE  11  -3.012  -3.604  -1.230
  117    HA   PHE  11           HA       PHE  11  -5.419  -3.087  -2.700
  118   1HB   PHE  11          2HB       PHE  11  -4.144  -5.122  -2.953
  119   2HB   PHE  11          1HB       PHE  11  -4.278  -5.482  -1.232
  120    HD1  PHE  11           HD1      PHE  11  -7.201  -4.033  -2.840
  121    HD2  PHE  11           HD2      PHE  11  -5.222  -7.725  -1.893
  122    HE1  PHE  11           HE1      PHE  11  -9.310  -5.269  -3.256
  123    HE2  PHE  11           HE2      PHE  11  -7.331  -8.962  -2.307
  124    HZ   PHE  11           HZ       PHE  11  -9.375  -7.734  -2.989
  125    H    LEU  12           H        LEU  12  -4.830  -3.945   0.716
  126    HA   LEU  12           HA       LEU  12  -7.601  -4.188   1.461
  127   1HB   LEU  12          2HB       LEU  12  -5.215  -4.766   2.583
  128   2HB   LEU  12          1HB       LEU  12  -5.553  -3.246   3.413
  129    HG   LEU  12           HG       LEU  12  -7.984  -4.495   3.575
  130   1HD1  LEU  12          1HD1      LEU  12  -6.595  -6.526   2.593
  131   2HD1  LEU  12          2HD1      LEU  12  -7.781  -6.790   3.871
  132   3HD1  LEU  12          3HD1      LEU  12  -6.065  -6.690   4.267
  133   1HD2  LEU  12          1HD2      LEU  12  -6.537  -5.354   5.839
  134   2HD2  LEU  12          2HD2      LEU  12  -7.475  -3.869   5.680
  135   3HD2  LEU  12          3HD2      LEU  12  -5.751  -3.866   5.308
  136    H    HIS  13           H        HIS  13  -5.610  -1.448   0.779
  137    HA   HIS  13           HA       HIS  13  -7.071   0.457   2.447
  138   1HB   HIS  13          2HB       HIS  13  -4.641   0.398   1.254
  139   2HB   HIS  13          1HB       HIS  13  -5.539   1.321   0.046
  140    HD1  HIS  13           HD1      HIS  13  -4.013   1.592   3.394
  141    HD2  HIS  13           HD2      HIS  13  -6.771   3.754   1.138
  142    HE1  HIS  13           HE1      HIS  13  -4.250   3.846   4.521
  143    H    SER  14           H        SER  14  -7.455  -0.922  -0.740
  144    HA   SER  14           HA       SER  14  -9.085   1.153  -1.902
  145   1HB   SER  14          2HB       SER  14  -8.348  -1.683  -2.394
  146   2HB   SER  14          1HB       SER  14  -9.839  -1.134  -3.156
  147    HG   SER  14           HG       SER  14  -7.500  -0.782  -4.101
  148    H    ALA  15           H        ALA  15  -9.662  -0.930   0.678
  149    HA   ALA  15           HA       ALA  15 -12.490  -1.475   0.240
  150   1HB   ALA  15          1HB       ALA  15 -11.330  -1.436   2.975
  151   2HB   ALA  15          2HB       ALA  15 -10.501  -2.469   1.809
  152   3HB   ALA  15          3HB       ALA  15 -12.213  -2.721   2.148
  153    H    LYS  16           H        LYS  16 -10.720   1.285   1.166
  154    HA   LYS  16           HA       LYS  16 -12.555   2.478   3.051
  155   1HB   LYS  16          2HB       LYS  16 -10.063   2.954   2.453
  156   2HB   LYS  16          1HB       LYS  16 -10.726   3.953   1.159
  157   1HG   LYS  16          2HG       LYS  16 -12.117   5.136   2.909
  158   2HG   LYS  16          1HG       LYS  16 -11.197   4.261   4.135
  159   1HD   LYS  16          2HD       LYS  16 -10.103   6.374   3.863
  160   2HD   LYS  16          1HD       LYS  16  -9.092   5.186   3.039
  161   1HE   LYS  16          2HE       LYS  16  -9.636   5.982   0.928
  162   2HE   LYS  16          1HE       LYS  16 -11.229   6.566   1.448
  163   1HZ   LYS  16          1HZ       LYS  16  -8.594   7.804   1.807
  164   2HZ   LYS  16          2HZ       LYS  16  -9.770   8.050   3.008
  165   3HZ   LYS  16          3HZ       LYS  16 -10.075   8.525   1.405
  166    H    LYS  17           H        LYS  17 -12.842   1.857  -0.271
  167    HA   LYS  17           HA       LYS  17 -14.129   4.173  -1.299
  168   1HB   LYS  17          2HB       LYS  17 -14.085   1.231  -1.837
  169   2HB   LYS  17          1HB       LYS  17 -15.323   2.191  -2.647
  170   1HG   LYS  17          2HG       LYS  17 -13.717   3.549  -3.742
  171   2HG   LYS  17          1HG       LYS  17 -12.421   3.023  -2.667
  172   1HD   LYS  17          2HD       LYS  17 -13.009   0.634  -3.632
  173   2HD   LYS  17          1HD       LYS  17 -13.676   1.571  -4.970
  174   1HE   LYS  17          2HE       LYS  17 -11.080   2.623  -4.208
  175   2HE   LYS  17          1HE       LYS  17 -10.969   0.896  -4.601
  176   1HZ   LYS  17          1HZ       LYS  17 -12.008   3.103  -6.264
  177   2HZ   LYS  17          2HZ       LYS  17 -12.521   1.505  -6.532
  178   3HZ   LYS  17          3HZ       LYS  17 -10.877   1.909  -6.673
  179    H    PHE  18           H        PHE  18 -15.290   1.662   0.862
  180    HA   PHE  18           HA       PHE  18 -18.043   2.842   0.749
  181   1HB   PHE  18          2HB       PHE  18 -17.515   0.375   0.191
  182   2HB   PHE  18          1HB       PHE  18 -17.212   0.180   1.917
  183    HD1  PHE  18           HD1      PHE  18 -19.011   0.268   3.534
  184    HD2  PHE  18           HD2      PHE  18 -19.766   0.977  -0.635
  185    HE1  PHE  18           HE1      PHE  18 -21.450   0.070   3.941
  186    HE2  PHE  18           HE2      PHE  18 -22.204   0.780  -0.228
  187    HZ   PHE  18           HZ       PHE  18 -23.046   0.327   2.061
  188   1HN   NH2  19          1HN       NH2  19 -15.923   4.120   2.327
  189   2HN   NH2  19          2HN       NH2  19 -16.329   3.943   3.965
  Start of MODEL    8
    1   1H    LYS   1          1H        LYS   1   4.378 -10.956 -10.155
    2   2H    LYS   1          2H        LYS   1   4.933  -9.911 -11.375
    3   3H    LYS   1          3H        LYS   1   3.720  -9.399 -10.301
    4    HA   LYS   1           HA       LYS   1   6.292 -10.231  -9.155
    5   1HB   LYS   1          2HB       LYS   1   7.108  -7.894  -9.651
    6   2HB   LYS   1          1HB       LYS   1   6.936  -8.906 -11.087
    7   1HG   LYS   1          2HG       LYS   1   4.500  -7.897 -11.141
    8   2HG   LYS   1          1HG       LYS   1   5.228  -6.617 -10.170
    9   1HD   LYS   1          2HD       LYS   1   5.381  -6.004 -12.522
   10   2HD   LYS   1          1HD       LYS   1   7.000  -6.363 -11.918
   11   1HE   LYS   1          2HE       LYS   1   7.196  -7.848 -13.624
   12   2HE   LYS   1          1HE       LYS   1   5.971  -8.839 -12.806
   13   1HZ   LYS   1          1HZ       LYS   1   5.586  -6.773 -14.882
   14   2HZ   LYS   1          2HZ       LYS   1   4.324  -7.180 -13.821
   15   3HZ   LYS   1          3HZ       LYS   1   4.991  -8.361 -14.845
   16    H    TRP   2           H        TRP   2   5.218 -10.392  -7.138
   17    HA   TRP   2           HA       TRP   2   4.613  -7.864  -5.805
   18   1HB   TRP   2          2HB       TRP   2   2.240  -8.400  -5.391
   19   2HB   TRP   2          1HB       TRP   2   2.562  -8.284  -7.120
   20    HD1  TRP   2           HD1      TRP   2   4.050 -11.427  -6.171
   21    HE1  TRP   2           HE1      TRP   2   2.464 -13.408  -6.587
   22    HE3  TRP   2           HE3      TRP   2  -0.358  -8.918  -6.784
   23    HZ2  TRP   2           HZ2      TRP   2  -0.307 -13.877  -7.112
   24    HZ3  TRP   2           HZ3      TRP   2  -2.454 -10.159  -7.242
   25    HH2  TRP   2           HH2      TRP   2  -2.434 -12.633  -7.405
   26    H    LYS   3           H        LYS   3   6.525  -9.408  -4.894
   27    HA   LYS   3           HA       LYS   3   5.727 -11.632  -3.227
   28   1HB   LYS   3          2HB       LYS   3   8.154  -9.850  -3.475
   29   2HB   LYS   3          1HB       LYS   3   8.088 -11.157  -2.294
   30   1HG   LYS   3          2HG       LYS   3   7.243 -12.470  -4.522
   31   2HG   LYS   3          1HG       LYS   3   8.336 -11.288  -5.244
   32   1HD   LYS   3          2HD       LYS   3   9.376 -12.594  -2.807
   33   2HD   LYS   3          1HD       LYS   3   9.149 -13.675  -4.183
   34   1HE   LYS   3          2HE       LYS   3  10.657 -12.465  -5.541
   35   2HE   LYS   3          1HE       LYS   3  10.556 -11.019  -4.518
   36   1HZ   LYS   3          1HZ       LYS   3  12.109 -13.438  -4.141
   37   2HZ   LYS   3          2HZ       LYS   3  11.312 -12.878  -2.747
   38   3HZ   LYS   3          3HZ       LYS   3  12.400 -11.866  -3.574
   39    H    LEU   4           H        LEU   4   5.241  -8.320  -2.885
   40    HA   LEU   4           HA       LEU   4   5.548  -8.203   0.042
   41   1HB   LEU   4          2HB       LEU   4   4.594  -6.344  -2.142
   42   2HB   LEU   4          1HB       LEU   4   4.519  -5.891  -0.439
   43    HG   LEU   4           HG       LEU   4   7.110  -7.016  -1.291
   44   1HD1  LEU   4          1HD1      LEU   4   6.053  -4.404  -2.405
   45   2HD1  LEU   4          2HD1      LEU   4   6.680  -5.782  -3.313
   46   3HD1  LEU   4          3HD1      LEU   4   7.770  -4.802  -2.331
   47   1HD2  LEU   4          1HD2      LEU   4   7.060  -6.104   0.874
   48   2HD2  LEU   4          2HD2      LEU   4   6.061  -4.738   0.379
   49   3HD2  LEU   4          3HD2      LEU   4   7.766  -4.795  -0.073
   50    H    PHE   5           H        PHE   5   3.238  -9.496  -1.986
   51    HA   PHE   5           HA       PHE   5   0.786  -8.581  -0.762
   52   1HB   PHE   5          2HB       PHE   5   1.363  -9.824  -3.015
   53   2HB   PHE   5          1HB       PHE   5   1.158 -11.274  -2.033
   54    HD1  PHE   5           HD1      PHE   5  -0.570  -7.963  -2.463
   55    HD2  PHE   5           HD2      PHE   5  -0.968 -12.223  -2.077
   56    HE1  PHE   5           HE1      PHE   5  -3.032  -7.752  -2.670
   57    HE2  PHE   5           HE2      PHE   5  -3.431 -12.012  -2.284
   58    HZ   PHE   5           HZ       PHE   5  -4.463  -9.776  -2.581
   59    H    LYS   6           H        LYS   6   3.261 -10.486   0.463
   60    HA   LYS   6           HA       LYS   6   1.543 -12.293   2.048
   61   1HB   LYS   6          2HB       LYS   6   4.505 -11.829   1.690
   62   2HB   LYS   6          1HB       LYS   6   3.886 -12.940   2.914
   63   1HG   LYS   6          2HG       LYS   6   2.495 -13.501   0.499
   64   2HG   LYS   6          1HG       LYS   6   4.209 -13.395   0.098
   65   1HD   LYS   6          2HD       LYS   6   3.000 -15.104   2.292
   66   2HD   LYS   6          1HD       LYS   6   3.640 -15.691   0.757
   67   1HE   LYS   6          2HE       LYS   6   5.279 -14.177   2.822
   68   2HE   LYS   6          1HE       LYS   6   5.303 -15.938   2.604
   69   1HZ   LYS   6          1HZ       LYS   6   7.017 -15.136   1.238
   70   2HZ   LYS   6          2HZ       LYS   6   6.078 -13.844   0.658
   71   3HZ   LYS   6          3HZ       LYS   6   5.729 -15.436   0.176
   72    H    LYS   7           H        LYS   7   2.988  -9.160   2.417
   73    HA   LYS   7           HA       LYS   7   2.155  -9.173   5.283
   74   1HB   LYS   7          2HB       LYS   7   4.285  -8.411   6.006
   75   2HB   LYS   7          1HB       LYS   7   4.645  -9.703   4.862
   76   1HG   LYS   7          2HG       LYS   7   4.846  -7.926   3.067
   77   2HG   LYS   7          1HG       LYS   7   4.739  -6.720   4.351
   78   1HD   LYS   7          2HD       LYS   7   6.878  -7.064   4.988
   79   2HD   LYS   7          1HD       LYS   7   6.685  -8.817   4.955
   80   1HE   LYS   7          2HE       LYS   7   7.072  -8.883   2.560
   81   2HE   LYS   7          1HE       LYS   7   7.069  -7.110   2.470
   82   1HZ   LYS   7          1HZ       LYS   7   9.277  -8.595   2.881
   83   2HZ   LYS   7          2HZ       LYS   7   8.834  -8.214   4.476
   84   3HZ   LYS   7          3HZ       LYS   7   9.113  -6.974   3.351
   85    H    ILE   8           H        ILE   8   1.762  -7.751   2.364
   86    HA   ILE   8           HA       ILE   8   1.293  -5.057   3.601
   87    HB   ILE   8           HB       ILE   8   2.435  -5.788   0.886
   88   1HG1  ILE   8          2HG1      ILE   8   3.958  -5.865   2.899
   89   2HG1  ILE   8          1HG1      ILE   8   4.437  -4.682   1.683
   90   1HG2  ILE   8          1HG2      ILE   8   1.431  -3.186   2.033
   91   2HG2  ILE   8          2HG2      ILE   8   1.098  -3.894   0.453
   92   3HG2  ILE   8          3HG2      ILE   8   2.685  -3.204   0.793
   93   1HD1  ILE   8          1HD1      ILE   8   2.912  -4.124   4.242
   94   2HD1  ILE   8          2HD1      ILE   8   3.220  -2.924   2.987
   95   3HD1  ILE   8          3HD1      ILE   8   4.566  -3.637   3.876
   96    HA   PRO   9           HA       PRO   9  -2.633  -6.384   1.745
   97   1HB   PRO   9          2HB       PRO   9  -4.212  -5.133   3.592
   98   2HB   PRO   9          1HB       PRO   9  -3.498  -6.735   3.860
   99   1HG   PRO   9          2HG       PRO   9  -2.693  -4.101   4.943
  100   2HG   PRO   9          1HG       PRO   9  -2.573  -5.709   5.670
  101   1HD   PRO   9          2HD       PRO   9  -0.478  -4.305   4.502
  102   2HD   PRO   9          1HD       PRO   9  -0.497  -6.049   4.831
  103    H    LYS  10           H        LYS  10  -1.097  -4.200   0.688
  104    HA   LYS  10           HA       LYS  10  -2.185  -1.622   0.807
  105   1HB   LYS  10          2HB       LYS  10  -0.199  -2.099  -0.449
  106   2HB   LYS  10          1HB       LYS  10  -1.039  -3.280  -1.454
  107   1HG   LYS  10          2HG       LYS  10  -2.096  -1.658  -2.725
  108   2HG   LYS  10          1HG       LYS  10  -2.062  -0.468  -1.423
  109   1HD   LYS  10          2HD       LYS  10   0.172   0.105  -1.827
  110   2HD   LYS  10          1HD       LYS  10   0.512  -1.414  -2.657
  111   1HE   LYS  10          2HE       LYS  10   0.135  -0.345  -4.620
  112   2HE   LYS  10          1HE       LYS  10  -1.561  -0.153  -4.131
  113   1HZ   LYS  10          1HZ       LYS  10  -0.490   1.710  -2.632
  114   2HZ   LYS  10          2HZ       LYS  10  -0.962   2.027  -4.233
  115   3HZ   LYS  10          3HZ       LYS  10   0.669   1.726  -3.871
  116    H    PHE  11           H        PHE  11  -3.482  -4.506  -0.733
  117    HA   PHE  11           HA       PHE  11  -5.425  -3.292  -2.444
  118   1HB   PHE  11          2HB       PHE  11  -4.532  -5.754  -2.098
  119   2HB   PHE  11          1HB       PHE  11  -5.881  -5.873  -0.969
  120    HD1  PHE  11           HD1      PHE  11  -8.225  -5.381  -1.780
  121    HD2  PHE  11           HD2      PHE  11  -4.887  -5.782  -4.455
  122    HE1  PHE  11           HE1      PHE  11  -9.784  -5.718  -3.678
  123    HE2  PHE  11           HE2      PHE  11  -6.447  -6.119  -6.353
  124    HZ   PHE  11           HZ       PHE  11  -8.896  -6.087  -5.964
  125    H    LEU  12           H        LEU  12  -5.385  -3.927   1.020
  126    HA   LEU  12           HA       LEU  12  -8.187  -3.690   1.553
  127   1HB   LEU  12          2HB       LEU  12  -5.686  -3.923   2.937
  128   2HB   LEU  12          1HB       LEU  12  -6.615  -2.626   3.690
  129    HG   LEU  12           HG       LEU  12  -8.565  -4.144   3.876
  130   1HD1  LEU  12          1HD1      LEU  12  -6.637  -6.051   2.549
  131   2HD1  LEU  12          2HD1      LEU  12  -8.290  -5.660   2.077
  132   3HD1  LEU  12          3HD1      LEU  12  -7.992  -6.635   3.515
  133   1HD2  LEU  12          1HD2      LEU  12  -7.100  -4.030   5.794
  134   2HD2  LEU  12          2HD2      LEU  12  -5.945  -5.130   5.042
  135   3HD2  LEU  12          3HD2      LEU  12  -7.523  -5.726   5.557
  136    H    HIS  13           H        HIS  13  -5.583  -1.240   1.430
  137    HA   HIS  13           HA       HIS  13  -6.978   1.024   2.330
  138   1HB   HIS  13          2HB       HIS  13  -4.566   0.395   1.046
  139   2HB   HIS  13          1HB       HIS  13  -5.349   1.556  -0.028
  140    HD1  HIS  13           HD1      HIS  13  -6.431   3.715   1.437
  141    HD2  HIS  13           HD2      HIS  13  -3.181   1.667   3.057
  142    HE1  HIS  13           HE1      HIS  13  -5.403   5.255   3.164
  143    H    SER  14           H        SER  14  -7.186  -0.630  -0.792
  144    HA   SER  14           HA       SER  14  -8.735   1.415  -2.126
  145   1HB   SER  14          2HB       SER  14  -7.505  -0.218  -3.397
  146   2HB   SER  14          1HB       SER  14  -8.274  -1.549  -2.536
  147    HG   SER  14           HG       SER  14  -9.817  -1.449  -3.945
  148    H    ALA  15           H        ALA  15  -9.449  -1.121   0.101
  149    HA   ALA  15           HA       ALA  15 -12.285  -1.375  -0.458
  150   1HB   ALA  15          1HB       ALA  15 -10.324  -2.655   1.052
  151   2HB   ALA  15          2HB       ALA  15 -12.042  -3.052   1.055
  152   3HB   ALA  15          3HB       ALA  15 -11.388  -1.953   2.270
  153    H    LYS  16           H        LYS  16 -10.457   1.131   0.861
  154    HA   LYS  16           HA       LYS  16 -11.957   2.085   3.058
  155   1HB   LYS  16          2HB       LYS  16 -10.284   3.277   0.865
  156   2HB   LYS  16          1HB       LYS  16 -11.123   4.354   1.983
  157   1HG   LYS  16          2HG       LYS  16  -9.334   2.082   2.882
  158   2HG   LYS  16          1HG       LYS  16  -8.776   3.745   2.692
  159   1HD   LYS  16          2HD       LYS  16 -10.891   4.274   4.204
  160   2HD   LYS  16          1HD       LYS  16 -10.666   2.599   4.710
  161   1HE   LYS  16          2HE       LYS  16  -8.699   3.059   5.806
  162   2HE   LYS  16          1HE       LYS  16  -8.208   4.282   4.617
  163   1HZ   LYS  16          1HZ       LYS  16  -8.826   5.455   6.564
  164   2HZ   LYS  16          2HZ       LYS  16 -10.252   4.549   6.752
  165   3HZ   LYS  16          3HZ       LYS  16 -10.107   5.654   5.470
  166    H    LYS  17           H        LYS  17 -12.700   2.073  -0.365
  167    HA   LYS  17           HA       LYS  17 -14.611   4.127  -0.586
  168   1HB   LYS  17          2HB       LYS  17 -13.620   2.071  -2.115
  169   2HB   LYS  17          1HB       LYS  17 -15.286   1.550  -1.862
  170   1HG   LYS  17          2HG       LYS  17 -14.889   4.412  -2.565
  171   2HG   LYS  17          1HG       LYS  17 -14.581   3.236  -3.845
  172   1HD   LYS  17          2HD       LYS  17 -16.821   2.221  -3.384
  173   2HD   LYS  17          1HD       LYS  17 -17.128   3.516  -2.226
  174   1HE   LYS  17          2HE       LYS  17 -16.376   4.081  -5.108
  175   2HE   LYS  17          1HE       LYS  17 -18.061   3.917  -4.576
  176   1HZ   LYS  17          1HZ       LYS  17 -16.659   5.519  -2.731
  177   2HZ   LYS  17          2HZ       LYS  17 -17.978   5.948  -3.712
  178   3HZ   LYS  17          3HZ       LYS  17 -16.392   6.140  -4.286
  179    H    PHE  18           H        PHE  18 -14.823   1.033   1.048
  180    HA   PHE  18           HA       PHE  18 -17.607   0.637   1.241
  181   1HB   PHE  18          2HB       PHE  18 -15.908  -0.939   2.022
  182   2HB   PHE  18          1HB       PHE  18 -15.370   0.207   3.249
  183    HD1  PHE  18           HD1      PHE  18 -16.790   0.732   5.197
  184    HD2  PHE  18           HD2      PHE  18 -17.954  -2.208   2.291
  185    HE1  PHE  18           HE1      PHE  18 -18.492  -0.149   6.770
  186    HE2  PHE  18           HE2      PHE  18 -19.657  -3.089   3.863
  187    HZ   PHE  18           HZ       PHE  18 -19.926  -2.060   6.104
  188   1HN   NH2  19          1HN       NH2  19 -15.513   2.774   3.241
  189   2HN   NH2  19          2HN       NH2  19 -16.792   3.604   3.988
  Start of MODEL    9
    1   1H    LYS   1          1H        LYS   1  -7.438  -3.387  18.751
    2   2H    LYS   1          2H        LYS   1  -6.028  -2.449  18.889
    3   3H    LYS   1          3H        LYS   1  -5.920  -4.143  18.810
    4    HA   LYS   1           HA       LYS   1  -6.612  -4.176  16.540
    5   1HB   LYS   1          2HB       LYS   1  -7.852  -1.780  17.459
    6   2HB   LYS   1          1HB       LYS   1  -6.837  -1.348  16.083
    7   1HG   LYS   1          2HG       LYS   1  -7.875  -3.244  14.802
    8   2HG   LYS   1          1HG       LYS   1  -8.985  -3.484  16.153
    9   1HD   LYS   1          2HD       LYS   1 -10.182  -2.089  14.659
   10   2HD   LYS   1          1HD       LYS   1  -9.561  -0.984  15.886
   11   1HE   LYS   1          2HE       LYS   1  -8.065   0.004  14.433
   12   2HE   LYS   1          1HE       LYS   1  -7.815  -1.493  13.513
   13   1HZ   LYS   1          1HZ       LYS   1  -9.200   0.242  12.366
   14   2HZ   LYS   1          2HZ       LYS   1 -10.393  -0.027  13.545
   15   3HZ   LYS   1          3HZ       LYS   1  -9.924  -1.285  12.503
   16    H    TRP   2           H        TRP   2  -4.725  -4.430  15.415
   17    HA   TRP   2           HA       TRP   2  -2.409  -2.679  16.045
   18   1HB   TRP   2          2HB       TRP   2  -2.899  -5.415  15.331
   19   2HB   TRP   2          1HB       TRP   2  -1.835  -4.704  14.117
   20    HD1  TRP   2           HD1      TRP   2   0.216  -3.106  15.349
   21    HE1  TRP   2           HE1      TRP   2   1.742  -3.843  17.292
   22    HE3  TRP   2           HE3      TRP   2  -2.595  -6.904  17.283
   23    HZ2  TRP   2           HZ2      TRP   2   1.765  -5.788  19.390
   24    HZ3  TRP   2           HZ3      TRP   2  -1.799  -8.180  19.253
   25    HH2  TRP   2           HH2      TRP   2   0.375  -7.627  20.307
   26    H    LYS   3           H        LYS   3  -1.776  -1.075  14.642
   27    HA   LYS   3           HA       LYS   3  -3.304  -0.518  12.234
   28   1HB   LYS   3          2HB       LYS   3  -1.700   1.368  12.083
   29   2HB   LYS   3          1HB       LYS   3  -2.335   1.201  13.720
   30   1HG   LYS   3          2HG       LYS   3  -0.147   1.233  14.339
   31   2HG   LYS   3          1HG       LYS   3  -0.154  -0.453  13.818
   32   1HD   LYS   3          2HD       LYS   3   1.667   0.467  12.641
   33   2HD   LYS   3          1HD       LYS   3   0.360   0.503  11.457
   34   1HE   LYS   3          2HE       LYS   3   1.360   2.680  11.361
   35   2HE   LYS   3          1HE       LYS   3  -0.114   2.896  12.326
   36   1HZ   LYS   3          1HZ       LYS   3   1.047   3.073  14.247
   37   2HZ   LYS   3          2HZ       LYS   3   2.264   3.640  13.207
   38   3HZ   LYS   3          3HZ       LYS   3   2.283   2.027  13.741
   39    H    LEU   4           H        LEU   4  -0.877  -2.732  12.828
   40    HA   LEU   4           HA       LEU   4   0.589  -2.414  10.294
   41   1HB   LEU   4          2HB       LEU   4   0.584  -4.588  12.414
   42   2HB   LEU   4          1HB       LEU   4   1.791  -4.395  11.144
   43    HG   LEU   4           HG       LEU   4   1.222  -2.063  12.933
   44   1HD1  LEU   4          1HD1      LEU   4   2.036  -3.024  14.801
   45   2HD1  LEU   4          2HD1      LEU   4   3.422  -3.672  13.923
   46   3HD1  LEU   4          3HD1      LEU   4   1.912  -4.581  13.983
   47   1HD2  LEU   4          1HD2      LEU   4   3.833  -2.020  12.592
   48   2HD2  LEU   4          2HD2      LEU   4   2.776  -1.532  11.267
   49   3HD2  LEU   4          3HD2      LEU   4   3.488  -3.146  11.279
   50    H    PHE   5           H        PHE   5  -2.452  -3.441  10.908
   51    HA   PHE   5           HA       PHE   5  -2.562  -6.004   9.567
   52   1HB   PHE   5          2HB       PHE   5  -4.200  -4.464  11.128
   53   2HB   PHE   5          1HB       PHE   5  -4.923  -4.223   9.537
   54    HD1  PHE   5           HD1      PHE   5  -4.746  -6.642   8.111
   55    HD2  PHE   5           HD2      PHE   5  -5.279  -6.130  12.342
   56    HE1  PHE   5           HE1      PHE   5  -5.801  -8.883   8.250
   57    HE2  PHE   5           HE2      PHE   5  -6.333  -8.370  12.481
   58    HZ   PHE   5           HZ       PHE   5  -6.594  -9.747  10.434
   59    H    LYS   6           H        LYS   6  -2.099  -2.841   8.443
   60    HA   LYS   6           HA       LYS   6  -3.270  -3.398   5.759
   61   1HB   LYS   6          2HB       LYS   6  -2.918  -0.987   5.446
   62   2HB   LYS   6          1HB       LYS   6  -3.734  -1.272   6.984
   63   1HG   LYS   6          2HG       LYS   6  -1.764  -0.886   8.236
   64   2HG   LYS   6          1HG       LYS   6  -0.727  -1.082   6.822
   65   1HD   LYS   6          2HD       LYS   6  -2.781   1.118   6.902
   66   2HD   LYS   6          1HD       LYS   6  -1.215   1.332   7.686
   67   1HE   LYS   6          2HE       LYS   6  -0.522   0.273   5.214
   68   2HE   LYS   6          1HE       LYS   6  -1.865   1.366   4.829
   69   1HZ   LYS   6          1HZ       LYS   6   0.349   2.481   4.963
   70   2HZ   LYS   6          2HZ       LYS   6   0.390   2.097   6.617
   71   3HZ   LYS   6          3HZ       LYS   6  -0.819   3.126   6.011
   72    H    LYS   7           H        LYS   7  -0.700  -4.623   6.885
   73    HA   LYS   7           HA       LYS   7   1.414  -3.392   5.230
   74   1HB   LYS   7          2HB       LYS   7   1.949  -4.183   7.455
   75   2HB   LYS   7          1HB       LYS   7   1.255  -5.767   7.108
   76   1HG   LYS   7          2HG       LYS   7   3.570  -6.114   6.833
   77   2HG   LYS   7          1HG       LYS   7   2.993  -5.871   5.184
   78   1HD   LYS   7          2HD       LYS   7   3.762  -3.608   5.146
   79   2HD   LYS   7          1HD       LYS   7   4.044  -3.603   6.888
   80   1HE   LYS   7          2HE       LYS   7   5.660  -5.642   6.275
   81   2HE   LYS   7          1HE       LYS   7   5.703  -4.809   4.708
   82   1HZ   LYS   7          1HZ       LYS   7   6.041  -3.398   7.294
   83   2HZ   LYS   7          2HZ       LYS   7   6.345  -2.799   5.734
   84   3HZ   LYS   7          3HZ       LYS   7   7.354  -3.991   6.399
   85    H    ILE   8           H        ILE   8   0.290  -6.782   5.569
   86    HA   ILE   8           HA       ILE   8   1.310  -7.592   3.010
   87    HB   ILE   8           HB       ILE   8  -0.525  -8.664   5.128
   88   1HG1  ILE   8          2HG1      ILE   8   1.438 -10.512   4.305
   89   2HG1  ILE   8          1HG1      ILE   8   2.226  -8.934   4.273
   90   1HG2  ILE   8          1HG2      ILE   8  -0.799 -10.755   3.791
   91   2HG2  ILE   8          2HG2      ILE   8  -0.094  -9.927   2.403
   92   3HG2  ILE   8          3HG2      ILE   8  -1.633  -9.379   3.069
   93   1HD1  ILE   8          1HD1      ILE   8   2.527  -9.398   6.503
   94   2HD1  ILE   8          2HD1      ILE   8   1.114 -10.451   6.582
   95   3HD1  ILE   8          3HD1      ILE   8   0.911  -8.699   6.610
   96    HA   PRO   9           HA       PRO   9  -3.220  -7.265   1.461
   97   1HB   PRO   9          2HB       PRO   9  -5.029  -5.996   3.074
   98   2HB   PRO   9          1HB       PRO   9  -4.728  -7.744   3.145
   99   1HG   PRO   9          2HG       PRO   9  -3.700  -5.574   4.911
  100   2HG   PRO   9          1HG       PRO   9  -4.266  -7.198   5.332
  101   1HD   PRO   9          2HD       PRO   9  -1.637  -6.550   5.174
  102   2HD   PRO   9          1HD       PRO   9  -2.259  -8.177   4.818
  103    H    LYS  10           H        LYS  10  -1.282  -5.504   0.889
  104    HA   LYS  10           HA       LYS  10  -1.658  -2.746   1.417
  105   1HB   LYS  10          2HB       LYS  10   0.323  -3.193   0.326
  106   2HB   LYS  10          1HB       LYS  10  -0.383  -4.490  -0.632
  107   1HG   LYS  10          2HG       LYS  10   0.234  -2.621  -2.089
  108   2HG   LYS  10          1HG       LYS  10  -1.521  -2.792  -2.050
  109   1HD   LYS  10          2HD       LYS  10  -1.405  -1.067  -0.096
  110   2HD   LYS  10          1HD       LYS  10   0.198  -0.701  -0.737
  111   1HE   LYS  10          2HE       LYS  10  -1.465  -0.791  -3.001
  112   2HE   LYS  10          1HE       LYS  10  -2.394   0.098  -1.777
  113   1HZ   LYS  10          1HZ       LYS  10   0.372   0.637  -2.700
  114   2HZ   LYS  10          2HZ       LYS  10  -0.273   1.318  -1.283
  115   3HZ   LYS  10          3HZ       LYS  10  -0.970   1.670  -2.792
  116    H    PHE  11           H        PHE  11  -3.389  -4.939  -0.702
  117    HA   PHE  11           HA       PHE  11  -4.689  -2.973  -2.364
  118   1HB   PHE  11          2HB       PHE  11  -4.362  -5.572  -2.539
  119   2HB   PHE  11          1HB       PHE  11  -5.853  -5.642  -1.599
  120    HD1  PHE  11           HD1      PHE  11  -7.754  -5.960  -2.899
  121    HD2  PHE  11           HD2      PHE  11  -4.559  -3.529  -4.428
  122    HE1  PHE  11           HE1      PHE  11  -9.074  -5.517  -4.951
  123    HE2  PHE  11           HE2      PHE  11  -5.880  -3.086  -6.480
  124    HZ   PHE  11           HZ       PHE  11  -8.137  -4.079  -6.741
  125    H    LEU  12           H        LEU  12  -5.614  -4.590   0.679
  126    HA   LEU  12           HA       LEU  12  -8.250  -3.891   1.035
  127   1HB   LEU  12          2HB       LEU  12  -5.924  -4.428   2.655
  128   2HB   LEU  12          1HB       LEU  12  -6.920  -3.205   3.442
  129    HG   LEU  12           HG       LEU  12  -8.879  -4.635   3.303
  130   1HD1  LEU  12          1HD1      LEU  12  -8.324  -7.085   2.483
  131   2HD1  LEU  12          2HD1      LEU  12  -7.053  -6.270   1.571
  132   3HD1  LEU  12          3HD1      LEU  12  -8.743  -5.834   1.312
  133   1HD2  LEU  12          1HD2      LEU  12  -7.381  -4.992   5.222
  134   2HD2  LEU  12          2HD2      LEU  12  -6.442  -6.156   4.287
  135   3HD2  LEU  12          3HD2      LEU  12  -8.110  -6.519   4.727
  136    H    HIS  13           H        HIS  13  -5.488  -1.682   1.082
  137    HA   HIS  13           HA       HIS  13  -6.516   0.604   2.293
  138   1HB   HIS  13          2HB       HIS  13  -4.277   0.510   1.417
  139   2HB   HIS  13          1HB       HIS  13  -4.867   0.221  -0.220
  140    HD1  HIS  13           HD1      HIS  13  -5.196   2.249  -1.649
  141    HD2  HIS  13           HD2      HIS  13  -5.075   3.220   2.404
  142    HE1  HIS  13           HE1      HIS  13  -5.266   4.776  -1.516
  143    H    SER  14           H        SER  14  -7.319  -0.699  -0.904
  144    HA   SER  14           HA       SER  14  -8.899   1.603  -1.732
  145   1HB   SER  14          2HB       SER  14  -7.699  -0.261  -3.097
  146   2HB   SER  14          1HB       SER  14  -9.135  -1.224  -2.764
  147    HG   SER  14           HG       SER  14  -9.054   0.172  -4.749
  148    H    ALA  15           H        ALA  15  -9.433  -0.666   0.640
  149    HA   ALA  15           HA       ALA  15 -12.204  -1.367   0.191
  150   1HB   ALA  15          1HB       ALA  15 -10.810  -2.679   1.653
  151   2HB   ALA  15          2HB       ALA  15 -12.019  -1.905   2.677
  152   3HB   ALA  15          3HB       ALA  15 -10.379  -1.261   2.608
  153    H    LYS  16           H        LYS  16 -10.605   1.489   1.317
  154    HA   LYS  16           HA       LYS  16 -12.397   2.681   3.094
  155   1HB   LYS  16          2HB       LYS  16 -10.158   3.446   1.954
  156   2HB   LYS  16          1HB       LYS  16 -11.229   4.200   0.772
  157   1HG   LYS  16          2HG       LYS  16 -12.374   4.928   3.182
  158   2HG   LYS  16          1HG       LYS  16 -10.647   4.997   3.534
  159   1HD   LYS  16          2HD       LYS  16 -10.325   6.795   2.189
  160   2HD   LYS  16          1HD       LYS  16 -11.369   6.145   0.924
  161   1HE   LYS  16          2HE       LYS  16 -13.365   6.784   2.325
  162   2HE   LYS  16          1HE       LYS  16 -12.250   7.600   3.439
  163   1HZ   LYS  16          1HZ       LYS  16 -12.557   9.310   2.010
  164   2HZ   LYS  16          2HZ       LYS  16 -12.987   8.305   0.709
  165   3HZ   LYS  16          3HZ       LYS  16 -11.352   8.513   1.122
  166    H    LYS  17           H        LYS  17 -12.765   2.197  -0.388
  167    HA   LYS  17           HA       LYS  17 -14.876   3.967  -0.986
  168   1HB   LYS  17          2HB       LYS  17 -13.470   2.026  -2.264
  169   2HB   LYS  17          1HB       LYS  17 -15.017   1.201  -2.065
  170   1HG   LYS  17          2HG       LYS  17 -16.042   3.435  -2.949
  171   2HG   LYS  17          1HG       LYS  17 -14.416   3.742  -3.559
  172   1HD   LYS  17          2HD       LYS  17 -15.185   2.581  -5.375
  173   2HD   LYS  17          1HD       LYS  17 -14.743   1.186  -4.391
  174   1HE   LYS  17          2HE       LYS  17 -16.907   0.520  -4.429
  175   2HE   LYS  17          1HE       LYS  17 -17.357   2.009  -3.574
  176   1HZ   LYS  17          1HZ       LYS  17 -16.707   2.197  -6.423
  177   2HZ   LYS  17          2HZ       LYS  17 -17.811   3.104  -5.504
  178   3HZ   LYS  17          3HZ       LYS  17 -18.210   1.532  -6.006
  179    H    PHE  18           H        PHE  18 -14.904   1.047   0.946
  180    HA   PHE  18           HA       PHE  18 -17.801   0.666   0.844
  181   1HB   PHE  18          2HB       PHE  18 -16.102  -1.124   1.218
  182   2HB   PHE  18          1HB       PHE  18 -15.686  -0.372   2.758
  183    HD1  PHE  18           HD1      PHE  18 -19.021  -0.843   1.126
  184    HD2  PHE  18           HD2      PHE  18 -16.459  -1.837   4.428
  185    HE1  PHE  18           HE1      PHE  18 -20.895  -2.045   2.219
  186    HE2  PHE  18           HE2      PHE  18 -18.334  -3.039   5.521
  187    HZ   PHE  18           HZ       PHE  18 -20.552  -3.143   4.416
  188   1HN   NH2  19          1HN       NH2  19 -15.500   2.193   3.141
  189   2HN   NH2  19          2HN       NH2  19 -16.690   2.919   4.109
  Start of MODEL   10
    1   1H    LYS   1          1H        LYS   1   7.959   2.742   8.254
    2   2H    LYS   1          2H        LYS   1   6.836   3.194   9.446
    3   3H    LYS   1          3H        LYS   1   7.276   1.563   9.263
    4    HA   LYS   1           HA       LYS   1   9.623   3.067   9.680
    5   1HB   LYS   1          2HB       LYS   1   8.166   4.750  10.642
    6   2HB   LYS   1          1HB       LYS   1   7.287   3.528  11.560
    7   1HG   LYS   1          2HG       LYS   1   8.963   3.293  13.123
    8   2HG   LYS   1          1HG       LYS   1  10.240   3.674  11.966
    9   1HD   LYS   1          2HD       LYS   1   9.408   6.057  11.959
   10   2HD   LYS   1          1HD       LYS   1   8.332   5.622  13.289
   11   1HE   LYS   1          2HE       LYS   1  10.622   4.666  14.318
   12   2HE   LYS   1          1HE       LYS   1  11.300   5.941  13.288
   13   1HZ   LYS   1          1HZ       LYS   1   8.896   6.554  14.844
   14   2HZ   LYS   1          2HZ       LYS   1  10.176   7.572  14.385
   15   3HZ   LYS   1          3HZ       LYS   1  10.372   6.485  15.676
   16    H    TRP   2           H        TRP   2   7.073   1.091  11.227
   17    HA   TRP   2           HA       TRP   2   8.988  -1.097  11.663
   18   1HB   TRP   2          2HB       TRP   2   8.920   0.897  13.530
   19   2HB   TRP   2          1HB       TRP   2   7.700  -0.202  14.172
   20    HD1  TRP   2           HD1      TRP   2   8.790  -2.972  13.604
   21    HE1  TRP   2           HE1      TRP   2  10.991  -3.824  14.640
   22    HE3  TRP   2           HE3      TRP   2  11.022   1.482  14.721
   23    HZ2  TRP   2           HZ2      TRP   2  13.381  -2.760  15.790
   24    HZ3  TRP   2           HZ3      TRP   2  13.261   1.534  15.785
   25    HH2  TRP   2           HH2      TRP   2  14.440  -0.579  16.320
   26    H    LYS   3           H        LYS   3   6.010  -0.093  13.372
   27    HA   LYS   3           HA       LYS   3   4.810  -2.717  13.085
   28   1HB   LYS   3          2HB       LYS   3   4.420  -0.252  14.496
   29   2HB   LYS   3          1HB       LYS   3   2.898  -0.697  13.725
   30   1HG   LYS   3          2HG       LYS   3   4.560  -2.397  15.603
   31   2HG   LYS   3          1HG       LYS   3   2.946  -1.750  15.897
   32   1HD   LYS   3          2HD       LYS   3   2.011  -3.540  14.908
   33   2HD   LYS   3          1HD       LYS   3   2.933  -3.239  13.434
   34   1HE   LYS   3          2HE       LYS   3   4.192  -5.067  13.878
   35   2HE   LYS   3          1HE       LYS   3   4.740  -4.302  15.382
   36   1HZ   LYS   3          1HZ       LYS   3   2.888  -5.132  16.549
   37   2HZ   LYS   3          2HZ       LYS   3   3.473  -6.449  15.651
   38   3HZ   LYS   3          3HZ       LYS   3   2.092  -5.608  15.130
   39    H    LEU   4           H        LEU   4   5.081  -0.067  10.999
   40    HA   LEU   4           HA       LEU   4   2.520  -0.481   9.601
   41   1HB   LEU   4          2HB       LEU   4   4.949   1.147   8.798
   42   2HB   LEU   4          1HB       LEU   4   3.283   1.384   8.270
   43    HG   LEU   4           HG       LEU   4   4.367   1.764  11.076
   44   1HD1  LEU   4          1HD1      LEU   4   3.847   3.514   8.786
   45   2HD1  LEU   4          2HD1      LEU   4   4.759   3.838  10.260
   46   3HD1  LEU   4          3HD1      LEU   4   3.006   4.039  10.245
   47   1HD2  LEU   4          1HD2      LEU   4   1.771   2.728  11.005
   48   2HD2  LEU   4          2HD2      LEU   4   2.266   1.192  11.714
   49   3HD2  LEU   4          3HD2      LEU   4   1.662   1.243  10.059
   50    H    PHE   5           H        PHE   5   5.052  -2.446   9.768
   51    HA   PHE   5           HA       PHE   5   5.924  -2.797   7.052
   52   1HB   PHE   5          2HB       PHE   5   7.010  -3.617   9.181
   53   2HB   PHE   5          1HB       PHE   5   5.745  -4.842   9.283
   54    HD1  PHE   5           HD1      PHE   5   8.830  -3.826   7.633
   55    HD2  PHE   5           HD2      PHE   5   5.518  -6.559   7.469
   56    HE1  PHE   5           HE1      PHE   5  10.095  -5.264   6.056
   57    HE2  PHE   5           HE2      PHE   5   6.785  -7.996   5.892
   58    HZ   PHE   5           HZ       PHE   5   9.071  -7.349   5.187
   59    H    LYS   6           H        LYS   6   2.916  -3.344   8.467
   60    HA   LYS   6           HA       LYS   6   2.216  -5.566   6.596
   61   1HB   LYS   6          2HB       LYS   6   1.153  -4.420   9.153
   62   2HB   LYS   6          1HB       LYS   6   0.021  -5.244   8.079
   63   1HG   LYS   6          2HG       LYS   6   1.048  -7.299   8.342
   64   2HG   LYS   6          1HG       LYS   6   2.629  -6.585   8.662
   65   1HD   LYS   6          2HD       LYS   6   1.509  -7.643  10.678
   66   2HD   LYS   6          1HD       LYS   6   1.989  -5.959  10.892
   67   1HE   LYS   6          2HE       LYS   6  -0.170  -5.272  11.132
   68   2HE   LYS   6          1HE       LYS   6  -0.724  -6.276   9.777
   69   1HZ   LYS   6          1HZ       LYS   6   0.217  -7.663  12.164
   70   2HZ   LYS   6          2HZ       LYS   6  -1.046  -8.069  11.102
   71   3HZ   LYS   6          3HZ       LYS   6  -1.280  -6.877  12.290
   72    H    LYS   7           H        LYS   7   2.640  -2.653   5.865
   73    HA   LYS   7           HA       LYS   7  -0.118  -1.954   4.928
   74   1HB   LYS   7          2HB       LYS   7   0.812  -0.200   6.215
   75   2HB   LYS   7          1HB       LYS   7   2.420  -0.433   5.526
   76   1HG   LYS   7          2HG       LYS   7   1.905   0.708   3.583
   77   2HG   LYS   7          1HG       LYS   7   0.191   0.294   3.669
   78   1HD   LYS   7          2HD       LYS   7   0.319   2.623   4.188
   79   2HD   LYS   7          1HD       LYS   7   0.071   1.800   5.729
   80   1HE   LYS   7          2HE       LYS   7   2.668   1.784   5.903
   81   2HE   LYS   7          1HE       LYS   7   2.603   3.041   4.651
   82   1HZ   LYS   7          1HZ       LYS   7   0.818   4.091   6.097
   83   2HZ   LYS   7          2HZ       LYS   7   2.417   4.207   6.658
   84   3HZ   LYS   7          3HZ       LYS   7   1.357   3.065   7.336
   85    H    ILE   8           H        ILE   8   2.641  -3.468   3.857
   86    HA   ILE   8           HA       ILE   8   3.365  -2.381   1.396
   87    HB   ILE   8           HB       ILE   8   3.068  -5.155   2.514
   88   1HG1  ILE   8          2HG1      ILE   8   5.609  -4.056   1.431
   89   2HG1  ILE   8          1HG1      ILE   8   4.950  -3.249   2.854
   90   1HG2  ILE   8          1HG2      ILE   8   4.489  -5.770   0.373
   91   2HG2  ILE   8          2HG2      ILE   8   3.635  -4.399  -0.336
   92   3HG2  ILE   8          3HG2      ILE   8   2.727  -5.774   0.294
   93   1HD1  ILE   8          1HD1      ILE   8   5.325  -6.247   2.660
   94   2HD1  ILE   8          2HD1      ILE   8   4.909  -5.315   4.099
   95   3HD1  ILE   8          3HD1      ILE   8   6.514  -5.161   3.381
   96    HA   PRO   9           HA       PRO   9  -0.238  -4.705  -0.789
   97   1HB   PRO   9          2HB       PRO   9  -2.207  -5.753   0.794
   98   2HB   PRO   9          1HB       PRO   9  -0.765  -6.667   0.304
   99   1HG   PRO   9          2HG       PRO   9  -1.324  -5.248   2.870
  100   2HG   PRO   9          1HG       PRO   9  -0.575  -6.831   2.598
  101   1HD   PRO   9          2HD       PRO   9   0.879  -4.627   3.157
  102   2HD   PRO   9          1HD       PRO   9   1.479  -5.925   2.097
  103    H    LYS  10           H        LYS  10  -0.814  -2.538  -1.335
  104    HA   LYS  10           HA       LYS  10  -2.522  -0.909   0.378
  105   1HB   LYS  10          2HB       LYS  10  -1.362  -0.841  -2.385
  106   2HB   LYS  10          1HB       LYS  10  -2.703   0.248  -2.023
  107   1HG   LYS  10          2HG       LYS  10  -1.469   1.503  -0.554
  108   2HG   LYS  10          1HG       LYS  10  -0.525   0.118  -0.004
  109   1HD   LYS  10          2HD       LYS  10   0.370   0.226  -2.527
  110   2HD   LYS  10          1HD       LYS  10  -0.058   1.926  -2.328
  111   1HE   LYS  10          2HE       LYS  10   2.110   1.974  -1.485
  112   2HE   LYS  10          1HE       LYS  10   1.235   1.569   0.005
  113   1HZ   LYS  10          1HZ       LYS  10   3.136   0.037  -0.646
  114   2HZ   LYS  10          2HZ       LYS  10   2.130  -0.511  -1.901
  115   3HZ   LYS  10          3HZ       LYS  10   1.653  -0.701  -0.282
  116    H    PHE  11           H        PHE  11  -3.088  -3.667  -1.432
  117    HA   PHE  11           HA       PHE  11  -5.487  -3.195  -2.837
  118   1HB   PHE  11          2HB       PHE  11  -4.012  -5.238  -2.824
  119   2HB   PHE  11          1HB       PHE  11  -4.668  -5.646  -1.242
  120    HD1  PHE  11           HD1      PHE  11  -6.903  -3.989  -3.603
  121    HD2  PHE  11           HD2      PHE  11  -5.482  -7.807  -2.233
  122    HE1  PHE  11           HE1      PHE  11  -8.832  -5.093  -4.687
  123    HE2  PHE  11           HE2      PHE  11  -7.419  -8.912  -3.321
  124    HZ   PHE  11           HZ       PHE  11  -9.094  -7.555  -4.547
  125    H    LEU  12           H        LEU  12  -4.926  -3.842   0.607
  126    HA   LEU  12           HA       LEU  12  -7.717  -4.126   1.334
  127   1HB   LEU  12          2HB       LEU  12  -5.173  -3.429   2.827
  128   2HB   LEU  12          1HB       LEU  12  -6.717  -3.668   3.640
  129    HG   LEU  12           HG       LEU  12  -5.718  -5.783   3.778
  130   1HD1  LEU  12          1HD1      LEU  12  -7.114  -6.118   1.128
  131   2HD1  LEU  12          2HD1      LEU  12  -8.020  -5.707   2.584
  132   3HD1  LEU  12          3HD1      LEU  12  -7.101  -7.211   2.513
  133   1HD2  LEU  12          1HD2      LEU  12  -4.327  -6.770   2.134
  134   2HD2  LEU  12          2HD2      LEU  12  -3.887  -5.063   2.118
  135   3HD2  LEU  12          3HD2      LEU  12  -4.942  -5.714   0.862
  136    H    HIS  13           H        HIS  13  -5.442  -1.394   1.309
  137    HA   HIS  13           HA       HIS  13  -6.984   0.572   2.598
  138   1HB   HIS  13          2HB       HIS  13  -4.802   0.392   0.632
  139   2HB   HIS  13          1HB       HIS  13  -5.727   1.888   0.515
  140    HD1  HIS  13           HD1      HIS  13  -4.127   3.487   1.662
  141    HD2  HIS  13           HD2      HIS  13  -4.883   0.083   3.945
  142    HE1  HIS  13           HE1      HIS  13  -3.068   3.893   3.928
  143    H    SER  14           H        SER  14  -7.358  -0.801  -0.627
  144    HA   SER  14           HA       SER  14  -9.027   1.206  -1.779
  145   1HB   SER  14          2HB       SER  14  -9.513  -0.514  -3.389
  146   2HB   SER  14          1HB       SER  14  -7.860  -0.794  -2.851
  147    HG   SER  14           HG       SER  14 -10.232  -2.108  -2.018
  148    H    ALA  15           H        ALA  15  -9.603  -1.068   0.712
  149    HA   ALA  15           HA       ALA  15 -12.407  -1.530   0.470
  150   1HB   ALA  15          1HB       ALA  15 -10.623  -2.583   1.997
  151   2HB   ALA  15          2HB       ALA  15 -12.198  -2.279   2.732
  152   3HB   ALA  15          3HB       ALA  15 -10.853  -1.182   3.043
  153    H    LYS  16           H        LYS  16 -10.635   1.320   1.296
  154    HA   LYS  16           HA       LYS  16 -12.474   2.675   2.994
  155   1HB   LYS  16          2HB       LYS  16 -10.035   3.161   2.212
  156   2HB   LYS  16          1HB       LYS  16 -10.803   3.973   0.846
  157   1HG   LYS  16          2HG       LYS  16 -10.473   5.667   2.483
  158   2HG   LYS  16          1HG       LYS  16 -12.184   5.251   2.577
  159   1HD   LYS  16          2HD       LYS  16 -11.360   5.334   4.836
  160   2HD   LYS  16          1HD       LYS  16 -11.590   3.634   4.431
  161   1HE   LYS  16          2HE       LYS  16  -9.430   3.322   5.063
  162   2HE   LYS  16          1HE       LYS  16  -8.968   4.208   3.596
  163   1HZ   LYS  16          1HZ       LYS  16  -9.885   5.736   5.922
  164   2HZ   LYS  16          2HZ       LYS  16  -8.766   6.168   4.720
  165   3HZ   LYS  16          3HZ       LYS  16  -8.312   5.103   5.962
  166    H    LYS  17           H        LYS  17 -12.635   1.891  -0.381
  167    HA   LYS  17           HA       LYS  17 -14.182   3.947  -1.494
  168   1HB   LYS  17          2HB       LYS  17 -13.252   1.524  -2.259
  169   2HB   LYS  17          1HB       LYS  17 -14.961   1.132  -2.065
  170   1HG   LYS  17          2HG       LYS  17 -15.619   2.822  -3.632
  171   2HG   LYS  17          1HG       LYS  17 -14.000   3.521  -3.654
  172   1HD   LYS  17          2HD       LYS  17 -14.800   0.789  -4.695
  173   2HD   LYS  17          1HD       LYS  17 -14.302   2.177  -5.662
  174   1HE   LYS  17          2HE       LYS  17 -12.098   2.112  -4.319
  175   2HE   LYS  17          1HE       LYS  17 -12.609   0.491  -3.806
  176   1HZ   LYS  17          1HZ       LYS  17 -11.755   1.405  -6.414
  177   2HZ   LYS  17          2HZ       LYS  17 -13.171   0.465  -6.440
  178   3HZ   LYS  17          3HZ       LYS  17 -11.746  -0.161  -5.759
  179    H    PHE  18           H        PHE  18 -15.182   1.359   0.706
  180    HA   PHE  18           HA       PHE  18 -17.985   1.494   0.468
  181   1HB   PHE  18          2HB       PHE  18 -16.477  -0.036   1.860
  182   2HB   PHE  18          1HB       PHE  18 -16.438   1.256   3.060
  183    HD1  PHE  18           HD1      PHE  18 -18.521  -1.296   1.425
  184    HD2  PHE  18           HD2      PHE  18 -18.462   1.913   4.280
  185    HE1  PHE  18           HE1      PHE  18 -20.721  -2.035   2.302
  186    HE2  PHE  18           HE2      PHE  18 -20.661   1.173   5.156
  187    HZ   PHE  18           HZ       PHE  18 -21.790  -0.800   4.167
  188   1HN   NH2  19          1HN       NH2  19 -15.922   3.456   2.707
  189   2HN   NH2  19          2HN       NH2  19 -17.062   4.697   2.914
  Start of MODEL   11
    1   1H    LYS   1          1H        LYS   1   3.640  -2.303  15.681
    2   2H    LYS   1          2H        LYS   1   4.325  -2.801  17.153
    3   3H    LYS   1          3H        LYS   1   2.962  -1.787  17.147
    4    HA   LYS   1           HA       LYS   1   2.717  -4.378  15.796
    5   1HB   LYS   1          2HB       LYS   1   4.009  -4.691  17.942
    6   2HB   LYS   1          1HB       LYS   1   2.638  -3.992  18.805
    7   1HG   LYS   1          2HG       LYS   1   2.188  -6.286  18.941
    8   2HG   LYS   1          1HG       LYS   1   1.244  -5.803  17.531
    9   1HD   LYS   1          2HD       LYS   1   2.349  -7.480  16.469
   10   2HD   LYS   1          1HD       LYS   1   3.693  -6.338  16.407
   11   1HE   LYS   1          2HE       LYS   1   3.934  -7.398  18.956
   12   2HE   LYS   1          1HE       LYS   1   3.431  -8.798  17.986
   13   1HZ   LYS   1          1HZ       LYS   1   5.900  -8.239  17.994
   14   2HZ   LYS   1          2HZ       LYS   1   5.490  -6.900  17.032
   15   3HZ   LYS   1          3HZ       LYS   1   5.171  -8.474  16.481
   16    H    TRP   2           H        TRP   2   1.033  -2.917  14.806
   17    HA   TRP   2           HA       TRP   2  -1.289  -2.457  16.645
   18   1HB   TRP   2          2HB       TRP   2   0.133  -0.729  15.008
   19   2HB   TRP   2          1HB       TRP   2  -1.264  -1.136  14.018
   20    HD1  TRP   2           HD1      TRP   2  -1.748  -1.127  17.775
   21    HE1  TRP   2           HE1      TRP   2  -3.208   0.887  18.437
   22    HE3  TRP   2           HE3      TRP   2  -1.863   1.388  13.328
   23    HZ2  TRP   2           HZ2      TRP   2  -4.280   3.254  17.247
   24    HZ3  TRP   2           HZ3      TRP   2  -3.108   3.521  13.124
   25    HH2  TRP   2           HH2      TRP   2  -4.316   4.456  15.077
   26    H    LYS   3           H        LYS   3  -3.179  -2.080  14.544
   27    HA   LYS   3           HA       LYS   3  -3.927  -4.812  13.979
   28   1HB   LYS   3          2HB       LYS   3  -4.970  -2.123  13.783
   29   2HB   LYS   3          1HB       LYS   3  -5.328  -3.012  12.303
   30   1HG   LYS   3          2HG       LYS   3  -7.141  -3.406  13.854
   31   2HG   LYS   3          1HG       LYS   3  -6.201  -4.893  13.736
   32   1HD   LYS   3          2HD       LYS   3  -5.972  -4.836  15.977
   33   2HD   LYS   3          1HD       LYS   3  -4.966  -3.401  15.775
   34   1HE   LYS   3          2HE       LYS   3  -6.834  -1.929  16.068
   35   2HE   LYS   3          1HE       LYS   3  -7.994  -3.261  15.904
   36   1HZ   LYS   3          1HZ       LYS   3  -7.288  -4.217  17.907
   37   2HZ   LYS   3          2HZ       LYS   3  -7.404  -2.558  18.257
   38   3HZ   LYS   3          3HZ       LYS   3  -5.886  -3.267  17.980
   39    H    LEU   4           H        LEU   4  -1.604  -2.872  12.552
   40    HA   LEU   4           HA       LEU   4  -1.919  -3.207   9.774
   41   1HB   LEU   4          2HB       LEU   4   0.365  -2.598   9.699
   42   2HB   LEU   4          1HB       LEU   4  -0.182  -1.931  11.237
   43    HG   LEU   4           HG       LEU   4   0.539  -4.494  11.946
   44   1HD1  LEU   4          1HD1      LEU   4   2.788  -4.835  10.946
   45   2HD1  LEU   4          2HD1      LEU   4   2.498  -3.470   9.868
   46   3HD1  LEU   4          3HD1      LEU   4   1.509  -4.925   9.734
   47   1HD2  LEU   4          1HD2      LEU   4   1.078  -2.227  12.998
   48   2HD2  LEU   4          2HD2      LEU   4   2.459  -2.152  11.904
   49   3HD2  LEU   4          3HD2      LEU   4   2.353  -3.441  13.103
   50    H    PHE   5           H        PHE   5  -1.263  -5.552  12.199
   51    HA   PHE   5           HA       PHE   5  -0.012  -7.502  10.416
   52   1HB   PHE   5          2HB       PHE   5  -0.153  -7.067  13.129
   53   2HB   PHE   5          1HB       PHE   5  -1.252  -8.432  12.917
   54    HD1  PHE   5           HD1      PHE   5   2.190  -7.384  13.058
   55    HD2  PHE   5           HD2      PHE   5  -0.427 -10.453  11.581
   56    HE1  PHE   5           HE1      PHE   5   4.128  -8.908  12.793
   57    HE2  PHE   5           HE2      PHE   5   1.511 -11.978  11.316
   58    HZ   PHE   5           HZ       PHE   5   3.789 -11.205  11.921
   59    H    LYS   6           H        LYS   6  -3.208  -6.610  11.329
   60    HA   LYS   6           HA       LYS   6  -4.409  -9.115  10.303
   61   1HB   LYS   6          2HB       LYS   6  -5.152  -7.914  12.393
   62   2HB   LYS   6          1HB       LYS   6  -5.662  -6.567  11.375
   63   1HG   LYS   6          2HG       LYS   6  -7.648  -7.660  11.308
   64   2HG   LYS   6          1HG       LYS   6  -6.849  -8.669  10.102
   65   1HD   LYS   6          2HD       LYS   6  -6.063  -9.672  12.632
   66   2HD   LYS   6          1HD       LYS   6  -7.806  -9.415  12.715
   67   1HE   LYS   6          2HE       LYS   6  -6.567 -10.795  10.328
   68   2HE   LYS   6          1HE       LYS   6  -7.001 -11.701  11.792
   69   1HZ   LYS   6          1HZ       LYS   6  -9.217 -11.094  11.618
   70   2HZ   LYS   6          2HZ       LYS   6  -8.793 -11.370   9.996
   71   3HZ   LYS   6          3HZ       LYS   6  -8.894  -9.783  10.592
   72    H    LYS   7           H        LYS   7  -3.159  -6.376   8.965
   73    HA   LYS   7           HA       LYS   7  -5.001  -6.515   6.616
   74   1HB   LYS   7          2HB       LYS   7  -4.899  -4.025   6.562
   75   2HB   LYS   7          1HB       LYS   7  -5.647  -4.630   8.041
   76   1HG   LYS   7          2HG       LYS   7  -3.482  -4.404   9.220
   77   2HG   LYS   7          1HG       LYS   7  -2.758  -3.758   7.746
   78   1HD   LYS   7          2HD       LYS   7  -3.362  -1.865   9.087
   79   2HD   LYS   7          1HD       LYS   7  -4.553  -1.959   7.789
   80   1HE   LYS   7          2HE       LYS   7  -5.249  -3.519  10.211
   81   2HE   LYS   7          1HE       LYS   7  -5.233  -1.757  10.428
   82   1HZ   LYS   7          1HZ       LYS   7  -6.898  -3.393   8.670
   83   2HZ   LYS   7          2HZ       LYS   7  -6.388  -1.889   8.067
   84   3HZ   LYS   7          3HZ       LYS   7  -7.284  -1.970   9.507
   85    H    ILE   8           H        ILE   8  -2.359  -7.649   7.061
   86    HA   ILE   8           HA       ILE   8  -0.120  -6.277   6.205
   87    HB   ILE   8           HB       ILE   8  -1.133  -9.031   5.458
   88   1HG1  ILE   8          2HG1      ILE   8   1.014  -8.346   7.453
   89   2HG1  ILE   8          1HG1      ILE   8  -0.686  -8.231   7.910
   90   1HG2  ILE   8          1HG2      ILE   8   1.305  -7.566   4.692
   91   2HG2  ILE   8          2HG2      ILE   8   0.595  -9.015   3.980
   92   3HG2  ILE   8          3HG2      ILE   8   1.613  -9.145   5.414
   93   1HD1  ILE   8          1HD1      ILE   8   0.659 -10.696   6.766
   94   2HD1  ILE   8          2HD1      ILE   8  -1.034 -10.576   7.242
   95   3HD1  ILE   8          3HD1      ILE   8   0.236 -10.457   8.461
   96    HA   PRO   9           HA       PRO   9  -1.399  -6.815   1.595
   97   1HB   PRO   9          2HB       PRO   9  -4.061  -7.229   1.094
   98   2HB   PRO   9          1HB       PRO   9  -2.888  -8.549   1.272
   99   1HG   PRO   9          2HG       PRO   9  -4.833  -7.467   3.254
  100   2HG   PRO   9          1HG       PRO   9  -4.377  -9.146   2.920
  101   1HD   PRO   9          2HD       PRO   9  -3.416  -7.773   5.034
  102   2HD   PRO   9          1HD       PRO   9  -2.475  -9.028   4.202
  103    H    LYS  10           H        LYS  10  -0.962  -4.518   2.130
  104    HA   LYS  10           HA       LYS  10  -2.784  -2.547   2.908
  105   1HB   LYS  10          2HB       LYS  10  -0.233  -2.584   2.135
  106   2HB   LYS  10          1HB       LYS  10  -0.928  -2.041   0.606
  107   1HG   LYS  10          2HG       LYS  10  -1.480   0.004   1.438
  108   2HG   LYS  10          1HG       LYS  10  -1.971  -0.656   2.999
  109   1HD   LYS  10          2HD       LYS  10   0.879  -0.201   2.065
  110   2HD   LYS  10          1HD       LYS  10   0.021   0.737   3.288
  111   1HE   LYS  10          2HE       LYS  10   0.707  -0.742   4.859
  112   2HE   LYS  10          1HE       LYS  10  -0.184  -2.025   4.015
  113   1HZ   LYS  10          1HZ       LYS  10   2.331  -1.109   2.837
  114   2HZ   LYS  10          2HZ       LYS  10   1.637  -2.661   2.837
  115   3HZ   LYS  10          3HZ       LYS  10   2.435  -2.084   4.222
  116    H    PHE  11           H        PHE  11  -2.715  -4.391  -0.045
  117    HA   PHE  11           HA       PHE  11  -4.022  -2.803  -1.923
  118   1HB   PHE  11          2HB       PHE  11  -3.234  -5.141  -2.221
  119   2HB   PHE  11          1HB       PHE  11  -4.550  -5.706  -1.190
  120    HD1  PHE  11           HD1      PHE  11  -5.977  -6.909  -2.639
  121    HD2  PHE  11           HD2      PHE  11  -4.570  -3.015  -3.779
  122    HE1  PHE  11           HE1      PHE  11  -7.501  -6.931  -4.596
  123    HE2  PHE  11           HE2      PHE  11  -6.092  -3.037  -5.737
  124    HZ   PHE  11           HZ       PHE  11  -7.557  -4.995  -6.145
  125    H    LEU  12           H        LEU  12  -5.309  -4.344   0.967
  126    HA   LEU  12           HA       LEU  12  -8.092  -4.105   0.520
  127   1HB   LEU  12          2HB       LEU  12  -6.261  -4.632   2.642
  128   2HB   LEU  12          1HB       LEU  12  -7.404  -3.423   3.231
  129    HG   LEU  12           HG       LEU  12  -9.169  -5.032   2.056
  130   1HD1  LEU  12          1HD1      LEU  12  -6.936  -6.466   1.509
  131   2HD1  LEU  12          2HD1      LEU  12  -8.523  -7.203   1.726
  132   3HD1  LEU  12          3HD1      LEU  12  -7.375  -7.173   3.064
  133   1HD2  LEU  12          1HD2      LEU  12  -9.312  -6.263   4.284
  134   2HD2  LEU  12          2HD2      LEU  12  -9.306  -4.503   4.393
  135   3HD2  LEU  12          3HD2      LEU  12  -7.838  -5.414   4.749
  136    H    HIS  13           H        HIS  13  -5.687  -1.658   0.970
  137    HA   HIS  13           HA       HIS  13  -6.973   0.505   2.134
  138   1HB   HIS  13          2HB       HIS  13  -4.730   0.710   1.370
  139   2HB   HIS  13          1HB       HIS  13  -5.161   0.226  -0.270
  140    HD1  HIS  13           HD1      HIS  13  -6.551   2.947   2.028
  141    HD2  HIS  13           HD2      HIS  13  -5.004   2.501  -1.817
  142    HE1  HIS  13           HE1      HIS  13  -6.696   5.224   0.929
  143    H    SER  14           H        SER  14  -7.477  -0.793  -1.142
  144    HA   SER  14           HA       SER  14  -9.140   1.261  -2.179
  145   1HB   SER  14          2HB       SER  14  -8.414  -0.377  -3.695
  146   2HB   SER  14          1HB       SER  14  -8.801  -1.697  -2.593
  147    HG   SER  14           HG       SER  14 -10.307  -1.476  -4.334
  148    H    ALA  15           H        ALA  15  -9.683  -0.979   0.337
  149    HA   ALA  15           HA       ALA  15 -12.553  -1.228   0.181
  150   1HB   ALA  15          1HB       ALA  15 -12.271  -2.318   2.271
  151   2HB   ALA  15          2HB       ALA  15 -10.851  -1.352   2.674
  152   3HB   ALA  15          3HB       ALA  15 -10.745  -2.602   1.434
  153    H    LYS  16           H        LYS  16 -10.574   1.428   0.875
  154    HA   LYS  16           HA       LYS  16 -11.852   2.745   3.032
  155   1HB   LYS  16          2HB       LYS  16 -10.638   3.821   0.462
  156   2HB   LYS  16          1HB       LYS  16 -10.952   4.788   1.904
  157   1HG   LYS  16          2HG       LYS  16  -9.469   2.356   2.532
  158   2HG   LYS  16          1HG       LYS  16  -8.617   3.365   1.363
  159   1HD   LYS  16          2HD       LYS  16  -7.891   4.282   3.379
  160   2HD   LYS  16          1HD       LYS  16  -9.263   5.320   2.992
  161   1HE   LYS  16          2HE       LYS  16  -9.764   4.759   5.205
  162   2HE   LYS  16          1HE       LYS  16 -10.604   3.448   4.351
  163   1HZ   LYS  16          1HZ       LYS  16  -8.107   3.379   5.852
  164   2HZ   LYS  16          2HZ       LYS  16  -8.155   2.457   4.426
  165   3HZ   LYS  16          3HZ       LYS  16  -9.285   2.176   5.662
  166    H    LYS  17           H        LYS  17 -12.877   2.280  -0.297
  167    HA   LYS  17           HA       LYS  17 -15.005   4.293  -0.179
  168   1HB   LYS  17          2HB       LYS  17 -15.466   3.482  -2.422
  169   2HB   LYS  17          1HB       LYS  17 -13.714   3.563  -2.226
  170   1HG   LYS  17          2HG       LYS  17 -13.611   1.388  -2.794
  171   2HG   LYS  17          1HG       LYS  17 -14.468   1.008  -1.300
  172   1HD   LYS  17          2HD       LYS  17 -15.976   0.107  -2.783
  173   2HD   LYS  17          1HD       LYS  17 -16.567   1.769  -2.798
  174   1HE   LYS  17          2HE       LYS  17 -14.914   2.165  -4.742
  175   2HE   LYS  17          1HE       LYS  17 -14.810   0.395  -4.843
  176   1HZ   LYS  17          1HZ       LYS  17 -17.240   0.311  -4.930
  177   2HZ   LYS  17          2HZ       LYS  17 -16.607   1.199  -6.233
  178   3HZ   LYS  17          3HZ       LYS  17 -17.308   2.006  -4.912
  179    H    PHE  18           H        PHE  18 -14.629   1.211   1.119
  180    HA   PHE  18           HA       PHE  18 -17.256   0.090   0.662
  181   1HB   PHE  18          2HB       PHE  18 -15.232  -1.181   1.316
  182   2HB   PHE  18          1HB       PHE  18 -15.211  -0.340   2.866
  183    HD1  PHE  18           HD1      PHE  18 -17.938  -1.894   0.806
  184    HD2  PHE  18           HD2      PHE  18 -15.894  -1.751   4.581
  185    HE1  PHE  18           HE1      PHE  18 -19.539  -3.546   1.735
  186    HE2  PHE  18           HE2      PHE  18 -17.494  -3.404   5.511
  187    HZ   PHE  18           HZ       PHE  18 -19.315  -4.301   4.087
  188   1HN   NH2  19          1HN       NH2  19 -15.856   1.677   3.604
  189   2HN   NH2  19          2HN       NH2  19 -17.350   2.193   4.223
  Start of MODEL   12
    1   1H    LYS   1          1H        LYS   1   3.700  -4.563 -17.023
    2   2H    LYS   1          2H        LYS   1   4.073  -2.932 -17.312
    3   3H    LYS   1          3H        LYS   1   4.022  -3.527 -15.721
    4    HA   LYS   1           HA       LYS   1   6.076  -3.973 -17.798
    5   1HB   LYS   1          2HB       LYS   1   5.677  -2.595 -15.257
    6   2HB   LYS   1          1HB       LYS   1   7.098  -3.639 -15.212
    7   1HG   LYS   1          2HG       LYS   1   7.287  -2.447 -17.704
    8   2HG   LYS   1          1HG       LYS   1   6.669  -1.145 -16.687
    9   1HD   LYS   1          2HD       LYS   1   8.690  -0.876 -15.738
   10   2HD   LYS   1          1HD       LYS   1   8.719  -2.573 -15.258
   11   1HE   LYS   1          2HE       LYS   1   9.330  -2.993 -17.790
   12   2HE   LYS   1          1HE       LYS   1   9.845  -1.295 -17.736
   13   1HZ   LYS   1          1HZ       LYS   1  10.788  -3.558 -16.084
   14   2HZ   LYS   1          2HZ       LYS   1  10.954  -1.955 -15.546
   15   3HZ   LYS   1          3HZ       LYS   1  11.707  -2.452 -16.986
   16    H    TRP   2           H        TRP   2   5.809  -5.009 -14.404
   17    HA   TRP   2           HA       TRP   2   6.505  -7.783 -15.296
   18   1HB   TRP   2          2HB       TRP   2   7.617  -5.966 -13.430
   19   2HB   TRP   2          1HB       TRP   2   6.872  -7.250 -12.478
   20    HD1  TRP   2           HD1      TRP   2   7.341  -9.707 -14.326
   21    HE1  TRP   2           HE1      TRP   2   9.720 -10.621 -14.714
   22    HE3  TRP   2           HE3      TRP   2  10.085  -5.575 -13.106
   23    HZ2  TRP   2           HZ2      TRP   2  12.429  -9.720 -14.533
   24    HZ3  TRP   2           HZ3      TRP   2  12.561  -5.631 -13.224
   25    HH2  TRP   2           HH2      TRP   2  13.735  -7.694 -13.934
   26    H    LYS   3           H        LYS   3   5.222  -9.500 -14.581
   27    HA   LYS   3           HA       LYS   3   2.540  -8.884 -13.637
   28   1HB   LYS   3          2HB       LYS   3   2.242 -11.291 -13.906
   29   2HB   LYS   3          1HB       LYS   3   3.199 -10.688 -15.260
   30   1HG   LYS   3          2HG       LYS   3   5.198 -11.243 -13.541
   31   2HG   LYS   3          1HG       LYS   3   4.017 -12.433 -12.993
   32   1HD   LYS   3          2HD       LYS   3   4.067 -13.604 -14.977
   33   2HD   LYS   3          1HD       LYS   3   4.440 -12.171 -15.936
   34   1HE   LYS   3          2HE       LYS   3   6.740 -12.248 -15.377
   35   2HE   LYS   3          1HE       LYS   3   6.453 -13.315 -13.988
   36   1HZ   LYS   3          1HZ       LYS   3   5.894 -14.036 -16.816
   37   2HZ   LYS   3          2HZ       LYS   3   5.726 -15.049 -15.462
   38   3HZ   LYS   3          3HZ       LYS   3   7.268 -14.531 -15.953
   39    H    LEU   4           H        LEU   4   5.516  -9.383 -12.097
   40    HA   LEU   4           HA       LEU   4   4.449 -10.640  -9.655
   41   1HB   LEU   4          2HB       LEU   4   7.127  -9.329 -10.228
   42   2HB   LEU   4          1HB       LEU   4   6.775 -10.482  -8.941
   43    HG   LEU   4           HG       LEU   4   6.134 -11.345 -11.717
   44   1HD1  LEU   4          1HD1      LEU   4   8.390 -11.843 -12.304
   45   2HD1  LEU   4          2HD1      LEU   4   8.975 -11.441 -10.689
   46   3HD1  LEU   4          3HD1      LEU   4   8.410 -10.163 -11.766
   47   1HD2  LEU   4          1HD2      LEU   4   7.594 -12.769  -9.480
   48   2HD2  LEU   4          2HD2      LEU   4   6.738 -13.491 -10.842
   49   3HD2  LEU   4          3HD2      LEU   4   5.835 -12.686  -9.559
   50    H    PHE   5           H        PHE   5   4.190  -7.593 -10.910
   51    HA   PHE   5           HA       PHE   5   4.896  -5.893  -8.702
   52   1HB   PHE   5          2HB       PHE   5   4.162  -5.609 -11.304
   53   2HB   PHE   5          1HB       PHE   5   2.655  -5.169 -10.504
   54    HD1  PHE   5           HD1      PHE   5   4.576  -4.258  -7.970
   55    HD2  PHE   5           HD2      PHE   5   4.132  -3.192 -12.110
   56    HE1  PHE   5           HE1      PHE   5   5.506  -2.012  -7.495
   57    HE2  PHE   5           HE2      PHE   5   5.059  -0.945 -11.629
   58    HZ   PHE   5           HZ       PHE   5   5.747  -0.355  -9.322
   59    H    LYS   6           H        LYS   6   2.415  -8.159  -9.054
   60    HA   LYS   6           HA       LYS   6   0.268  -6.834  -7.648
   61   1HB   LYS   6          2HB       LYS   6   0.105  -8.779  -9.214
   62   2HB   LYS   6          1HB       LYS   6   0.901  -9.780  -7.999
   63   1HG   LYS   6          2HG       LYS   6  -1.186 -10.205  -7.238
   64   2HG   LYS   6          1HG       LYS   6  -1.113  -8.582  -6.551
   65   1HD   LYS   6          2HD       LYS   6  -1.945  -8.928  -9.413
   66   2HD   LYS   6          1HD       LYS   6  -3.115  -9.239  -8.131
   67   1HE   LYS   6          2HE       LYS   6  -3.339  -7.023  -7.650
   68   2HE   LYS   6          1HE       LYS   6  -1.590  -6.743  -7.745
   69   1HZ   LYS   6          1HZ       LYS   6  -2.249  -7.363 -10.297
   70   2HZ   LYS   6          2HZ       LYS   6  -2.044  -5.787  -9.702
   71   3HZ   LYS   6          3HZ       LYS   6  -3.598  -6.467  -9.794
   72    H    LYS   7           H        LYS   7   3.264  -7.816  -6.534
   73    HA   LYS   7           HA       LYS   7   2.757  -9.165  -4.094
   74   1HB   LYS   7          2HB       LYS   7   4.883  -7.886  -5.488
   75   2HB   LYS   7          1HB       LYS   7   4.899  -7.266  -3.837
   76   1HG   LYS   7          2HG       LYS   7   5.843  -9.184  -3.148
   77   2HG   LYS   7          1HG       LYS   7   4.401 -10.056  -3.668
   78   1HD   LYS   7          2HD       LYS   7   5.371 -10.083  -6.006
   79   2HD   LYS   7          1HD       LYS   7   6.866  -9.446  -5.320
   80   1HE   LYS   7          2HE       LYS   7   5.925 -11.724  -3.777
   81   2HE   LYS   7          1HE       LYS   7   6.152 -12.155  -5.484
   82   1HZ   LYS   7          1HZ       LYS   7   8.107 -10.777  -3.720
   83   2HZ   LYS   7          2HZ       LYS   7   8.309 -10.974  -5.395
   84   3HZ   LYS   7          3HZ       LYS   7   8.256 -12.334  -4.377
   85    H    ILE   8           H        ILE   8   3.553  -5.680  -4.317
   86    HA   ILE   8           HA       ILE   8   2.851  -4.851  -1.773
   87    HB   ILE   8           HB       ILE   8   2.327  -3.505  -4.443
   88   1HG1  ILE   8          2HG1      ILE   8   4.658  -4.182  -4.132
   89   2HG1  ILE   8          1HG1      ILE   8   4.529  -2.432  -3.958
   90   1HG2  ILE   8          1HG2      ILE   8   1.116  -2.223  -2.865
   91   2HG2  ILE   8          2HG2      ILE   8   2.679  -1.412  -2.962
   92   3HG2  ILE   8          3HG2      ILE   8   2.322  -2.479  -1.604
   93   1HD1  ILE   8          1HD1      ILE   8   5.816  -2.983  -2.092
   94   2HD1  ILE   8          2HD1      ILE   8   4.978  -4.515  -1.843
   95   3HD1  ILE   8          3HD1      ILE   8   4.189  -2.999  -1.410
   96    HA   PRO   9           HA       PRO   9  -1.504  -6.059  -1.986
   97   1HB   PRO   9          2HB       PRO   9  -1.819  -6.261   0.718
   98   2HB   PRO   9          1HB       PRO   9  -1.104  -7.552  -0.267
   99   1HG   PRO   9          2HG       PRO   9   0.219  -5.558   1.486
  100   2HG   PRO   9          1HG       PRO   9   0.653  -7.242   1.159
  101   1HD   PRO   9          2HD       PRO   9   1.896  -5.050   0.037
  102   2HD   PRO   9          1HD       PRO   9   1.914  -6.689  -0.648
  103    H    LYS  10           H        LYS  10  -1.412  -3.557  -2.646
  104    HA   LYS  10           HA       LYS  10  -2.103  -1.697  -0.474
  105   1HB   LYS  10          2HB       LYS  10  -1.226  -1.653  -3.225
  106   2HB   LYS  10          1HB       LYS  10  -2.643  -0.618  -3.043
  107   1HG   LYS  10          2HG       LYS  10  -0.860  -0.246  -0.801
  108   2HG   LYS  10          1HG       LYS  10   0.014  -0.008  -2.314
  109   1HD   LYS  10          2HD       LYS  10  -2.569   1.230  -2.532
  110   2HD   LYS  10          1HD       LYS  10  -1.787   1.792  -1.053
  111   1HE   LYS  10          2HE       LYS  10   0.042   2.707  -2.212
  112   2HE   LYS  10          1HE       LYS  10  -0.235   1.689  -3.640
  113   1HZ   LYS  10          1HZ       LYS  10  -1.122   3.765  -4.215
  114   2HZ   LYS  10          2HZ       LYS  10  -1.837   3.990  -2.691
  115   3HZ   LYS  10          3HZ       LYS  10  -2.475   2.844  -3.771
  116    H    PHE  11           H        PHE  11  -3.790  -4.070  -2.088
  117    HA   PHE  11           HA       PHE  11  -6.262  -2.829  -2.809
  118   1HB   PHE  11          2HB       PHE  11  -5.102  -5.299  -2.951
  119   2HB   PHE  11          1HB       PHE  11  -6.299  -5.569  -1.684
  120    HD1  PHE  11           HD1      PHE  11  -5.746  -5.005  -5.228
  121    HD2  PHE  11           HD2      PHE  11  -8.723  -5.065  -2.132
  122    HE1  PHE  11           HE1      PHE  11  -7.529  -5.139  -6.947
  123    HE2  PHE  11           HE2      PHE  11 -10.508  -5.198  -3.851
  124    HZ   PHE  11           HZ       PHE  11  -9.910  -5.238  -6.258
  125    H    LEU  12           H        LEU  12  -5.020  -4.005   0.288
  126    HA   LEU  12           HA       LEU  12  -7.406  -4.112   1.798
  127   1HB   LEU  12          2HB       LEU  12  -4.499  -3.699   2.259
  128   2HB   LEU  12          1HB       LEU  12  -5.568  -3.264   3.593
  129    HG   LEU  12           HG       LEU  12  -6.687  -5.594   3.053
  130   1HD1  LEU  12          1HD1      LEU  12  -3.879  -5.863   1.942
  131   2HD1  LEU  12          2HD1      LEU  12  -5.389  -6.096   1.063
  132   3HD1  LEU  12          3HD1      LEU  12  -4.925  -7.229   2.331
  133   1HD2  LEU  12          1HD2      LEU  12  -5.845  -5.604   5.175
  134   2HD2  LEU  12          2HD2      LEU  12  -4.346  -4.811   4.688
  135   3HD2  LEU  12          3HD2      LEU  12  -4.543  -6.548   4.452
  136    H    HIS  13           H        HIS  13  -5.347  -1.297   1.024
  137    HA   HIS  13           HA       HIS  13  -6.828   0.547   2.708
  138   1HB   HIS  13          2HB       HIS  13  -4.517   0.950   2.076
  139   2HB   HIS  13          1HB       HIS  13  -4.932   0.884   0.362
  140    HD1  HIS  13           HD1      HIS  13  -4.250   3.340  -0.109
  141    HD2  HIS  13           HD2      HIS  13  -7.171   2.960   2.842
  142    HE1  HIS  13           HE1      HIS  13  -5.155   5.670   0.308
  143    H    SER  14           H        SER  14  -7.310  -0.759  -0.476
  144    HA   SER  14           HA       SER  14  -8.941   1.404  -1.515
  145   1HB   SER  14          2HB       SER  14  -7.661  -0.791  -2.514
  146   2HB   SER  14          1HB       SER  14  -9.327  -1.362  -2.500
  147    HG   SER  14           HG       SER  14  -8.737   1.206  -3.472
  148    H    ALA  15           H        ALA  15  -9.479  -0.951   0.849
  149    HA   ALA  15           HA       ALA  15 -12.219  -1.659   0.415
  150   1HB   ALA  15          1HB       ALA  15 -11.849  -2.775   2.367
  151   2HB   ALA  15          2HB       ALA  15 -11.348  -1.306   3.203
  152   3HB   ALA  15          3HB       ALA  15 -10.189  -2.199   2.220
  153    H    LYS  16           H        LYS  16 -10.718   1.287   1.435
  154    HA   LYS  16           HA       LYS  16 -12.865   2.437   2.968
  155   1HB   LYS  16          2HB       LYS  16 -10.324   3.055   2.564
  156   2HB   LYS  16          1HB       LYS  16 -10.985   4.031   1.252
  157   1HG   LYS  16          2HG       LYS  16 -12.156   5.427   2.695
  158   2HG   LYS  16          1HG       LYS  16 -12.246   4.207   3.967
  159   1HD   LYS  16          2HD       LYS  16  -9.565   4.511   3.837
  160   2HD   LYS  16          1HD       LYS  16 -10.067   6.127   3.335
  161   1HE   LYS  16          2HE       LYS  16 -10.153   6.497   5.605
  162   2HE   LYS  16          1HE       LYS  16 -11.740   5.717   5.460
  163   1HZ   LYS  16          1HZ       LYS  16 -10.910   3.686   6.121
  164   2HZ   LYS  16          2HZ       LYS  16 -10.003   4.741   7.096
  165   3HZ   LYS  16          3HZ       LYS  16  -9.313   4.068   5.697
  166    H    LYS  17           H        LYS  17 -12.677   1.658  -0.339
  167    HA   LYS  17           HA       LYS  17 -13.880   3.776  -1.714
  168   1HB   LYS  17          2HB       LYS  17 -13.764   0.822  -1.897
  169   2HB   LYS  17          1HB       LYS  17 -15.072   1.578  -2.808
  170   1HG   LYS  17          2HG       LYS  17 -12.437   2.911  -3.034
  171   2HG   LYS  17          1HG       LYS  17 -12.542   1.310  -3.768
  172   1HD   LYS  17          2HD       LYS  17 -13.640   2.192  -5.520
  173   2HD   LYS  17          1HD       LYS  17 -14.929   2.718  -4.437
  174   1HE   LYS  17          2HE       LYS  17 -14.264   4.881  -4.585
  175   2HE   LYS  17          1HE       LYS  17 -12.580   4.447  -4.232
  176   1HZ   LYS  17          1HZ       LYS  17 -12.081   4.219  -6.406
  177   2HZ   LYS  17          2HZ       LYS  17 -13.407   5.254  -6.637
  178   3HZ   LYS  17          3HZ       LYS  17 -13.598   3.575  -6.808
  179    H    PHE  18           H        PHE  18 -15.350   1.575   0.619
  180    HA   PHE  18           HA       PHE  18 -18.097   1.981  -0.011
  181   1HB   PHE  18          2HB       PHE  18 -16.796   0.436   1.687
  182   2HB   PHE  18          1HB       PHE  18 -17.094   1.763   2.812
  183    HD1  PHE  18           HD1      PHE  18 -19.687   2.789   2.122
  184    HD2  PHE  18           HD2      PHE  18 -18.325  -1.286   2.111
  185    HE1  PHE  18           HE1      PHE  18 -22.021   2.008   2.427
  186    HE2  PHE  18           HE2      PHE  18 -20.660  -2.066   2.417
  187    HZ   PHE  18           HZ       PHE  18 -22.507  -0.419   2.574
  188   1HN   NH2  19          1HN       NH2  19 -16.486   3.545   2.815
  189   2HN   NH2  19          2HN       NH2  19 -17.295   5.029   2.653
  Start of MODEL   13
    1   1H    LYS   1          1H        LYS   1   5.400 -13.318  -2.128
    2   2H    LYS   1          2H        LYS   1   6.868 -12.629  -2.638
    3   3H    LYS   1          3H        LYS   1   5.867 -11.792  -1.551
    4    HA   LYS   1           HA       LYS   1   6.312 -13.316   0.199
    5   1HB   LYS   1          2HB       LYS   1   7.428 -14.886  -2.131
    6   2HB   LYS   1          1HB       LYS   1   7.797 -15.318  -0.461
    7   1HG   LYS   1          2HG       LYS   1   5.834 -16.410  -0.340
    8   2HG   LYS   1          1HG       LYS   1   4.996 -14.879  -0.590
    9   1HD   LYS   1          2HD       LYS   1   4.209 -16.164  -2.380
   10   2HD   LYS   1          1HD       LYS   1   5.550 -15.287  -3.118
   11   1HE   LYS   1          2HE       LYS   1   6.319 -17.342  -3.741
   12   2HE   LYS   1          1HE       LYS   1   6.782 -17.540  -2.038
   13   1HZ   LYS   1          1HZ       LYS   1   4.136 -18.010  -1.964
   14   2HZ   LYS   1          2HZ       LYS   1   5.318 -19.224  -2.071
   15   3HZ   LYS   1          3HZ       LYS   1   4.538 -18.668  -3.474
   16    H    TRP   2           H        TRP   2   7.581 -10.952  -1.040
   17    HA   TRP   2           HA       TRP   2  10.185 -11.120   0.328
   18   1HB   TRP   2          2HB       TRP   2  10.042 -11.875  -2.303
   19   2HB   TRP   2          1HB       TRP   2  10.388 -10.156  -2.470
   20    HD1  TRP   2           HD1      TRP   2  12.689  -9.255  -1.393
   21    HE1  TRP   2           HE1      TRP   2  14.891 -10.474  -0.841
   22    HE3  TRP   2           HE3      TRP   2  11.069 -14.096  -1.520
   23    HZ2  TRP   2           HZ2      TRP   2  15.841 -13.151  -0.496
   24    HZ3  TRP   2           HZ3      TRP   2  12.643 -15.958  -1.077
   25    HH2  TRP   2           HH2      TRP   2  15.024 -15.494  -0.567
   26    H    LYS   3           H        LYS   3  10.929  -8.716  -1.503
   27    HA   LYS   3           HA       LYS   3  10.221  -6.586   0.150
   28   1HB   LYS   3          2HB       LYS   3  11.885  -6.528  -1.662
   29   2HB   LYS   3          1HB       LYS   3  10.595  -6.658  -2.858
   30   1HG   LYS   3          2HG       LYS   3  10.238  -4.439  -2.789
   31   2HG   LYS   3          1HG       LYS   3  10.038  -4.486  -1.038
   32   1HD   LYS   3          2HD       LYS   3  12.765  -4.842  -1.356
   33   2HD   LYS   3          1HD       LYS   3  12.366  -3.679  -2.621
   34   1HE   LYS   3          2HE       LYS   3  11.059  -2.398  -0.798
   35   2HE   LYS   3          1HE       LYS   3  11.943  -3.413   0.361
   36   1HZ   LYS   3          1HZ       LYS   3  13.995  -2.674  -0.446
   37   2HZ   LYS   3          2HZ       LYS   3  13.063  -1.258  -0.344
   38   3HZ   LYS   3          3HZ       LYS   3  13.317  -2.004  -1.850
   39    H    LEU   4           H        LEU   4   8.260  -8.266  -2.136
   40    HA   LEU   4           HA       LEU   4   6.236  -6.258  -2.578
   41   1HB   LEU   4          2HB       LEU   4   6.037  -9.285  -2.645
   42   2HB   LEU   4          1HB       LEU   4   5.020  -8.145  -3.525
   43    HG   LEU   4           HG       LEU   4   7.558  -7.381  -4.292
   44   1HD1  LEU   4          1HD1      LEU   4   8.159  -9.959  -5.071
   45   2HD1  LEU   4          2HD1      LEU   4   7.599 -10.187  -3.414
   46   3HD1  LEU   4          3HD1      LEU   4   8.943  -9.094  -3.749
   47   1HD2  LEU   4          1HD2      LEU   4   6.984  -8.622  -6.417
   48   2HD2  LEU   4          2HD2      LEU   4   5.686  -7.593  -5.813
   49   3HD2  LEU   4          3HD2      LEU   4   5.618  -9.337  -5.560
   50    H    PHE   5           H        PHE   5   7.090  -7.894   0.215
   51    HA   PHE   5           HA       PHE   5   4.775  -8.775   1.475
   52   1HB   PHE   5          2HB       PHE   5   7.393  -7.681   2.159
   53   2HB   PHE   5          1HB       PHE   5   6.188  -7.347   3.396
   54    HD1  PHE   5           HD1      PHE   5   8.578  -9.654   2.374
   55    HD2  PHE   5           HD2      PHE   5   4.544  -9.478   3.837
   56    HE1  PHE   5           HE1      PHE   5   8.765 -11.996   3.162
   57    HE2  PHE   5           HE2      PHE   5   4.729 -11.822   4.626
   58    HZ   PHE   5           HZ       PHE   5   6.840 -13.081   4.289
   59    H    LYS   6           H        LYS   6   5.621  -5.543   0.608
   60    HA   LYS   6           HA       LYS   6   3.426  -4.413   2.287
   61   1HB   LYS   6          2HB       LYS   6   5.936  -3.412   0.986
   62   2HB   LYS   6          1HB       LYS   6   4.657  -2.261   1.374
   63   1HG   LYS   6          2HG       LYS   6   5.225  -4.156   3.547
   64   2HG   LYS   6          1HG       LYS   6   6.593  -3.120   3.140
   65   1HD   LYS   6          2HD       LYS   6   4.562  -1.304   3.106
   66   2HD   LYS   6          1HD       LYS   6   3.989  -2.415   4.352
   67   1HE   LYS   6          2HE       LYS   6   5.551  -1.691   5.831
   68   2HE   LYS   6          1HE       LYS   6   6.847  -1.826   4.625
   69   1HZ   LYS   6          1HZ       LYS   6   5.065   0.432   5.193
   70   2HZ   LYS   6          2HZ       LYS   6   5.561   0.194   3.585
   71   3HZ   LYS   6          3HZ       LYS   6   6.717   0.435   4.806
   72    H    LYS   7           H        LYS   7   3.480  -5.745  -0.669
   73    HA   LYS   7           HA       LYS   7   1.932  -3.530  -1.970
   74   1HB   LYS   7          2HB       LYS   7   3.778  -4.190  -3.315
   75   2HB   LYS   7          1HB       LYS   7   3.506  -5.903  -2.984
   76   1HG   LYS   7          2HG       LYS   7   1.798  -6.069  -4.514
   77   2HG   LYS   7          1HG       LYS   7   1.268  -4.407  -4.259
   78   1HD   LYS   7          2HD       LYS   7   3.242  -3.590  -5.502
   79   2HD   LYS   7          1HD       LYS   7   3.752  -5.257  -5.775
   80   1HE   LYS   7          2HE       LYS   7   2.577  -4.770  -7.760
   81   2HE   LYS   7          1HE       LYS   7   1.316  -5.530  -6.769
   82   1HZ   LYS   7          1HZ       LYS   7   0.966  -3.156  -7.823
   83   2HZ   LYS   7          2HZ       LYS   7   1.790  -2.665  -6.421
   84   3HZ   LYS   7          3HZ       LYS   7   0.342  -3.544  -6.294
   85    H    ILE   8           H        ILE   8   1.731  -6.808  -0.763
   86    HA   ILE   8           HA       ILE   8  -0.622  -7.650  -2.167
   87    HB   ILE   8           HB       ILE   8   0.676  -8.373   0.467
   88   1HG1  ILE   8          2HG1      ILE   8   0.478  -9.912  -2.134
   89   2HG1  ILE   8          1HG1      ILE   8   1.828  -8.845  -1.740
   90   1HG2  ILE   8          1HG2      ILE   8  -1.872  -8.840   0.303
   91   2HG2  ILE   8          2HG2      ILE   8  -0.816 -10.181   0.737
   92   3HG2  ILE   8          3HG2      ILE   8  -1.426 -10.037  -0.912
   93   1HD1  ILE   8          1HD1      ILE   8   1.154 -11.512  -0.648
   94   2HD1  ILE   8          2HD1      ILE   8   1.691 -10.323   0.538
   95   3HD1  ILE   8          3HD1      ILE   8   2.726 -10.733  -0.830
   96    HA   PRO   9           HA       PRO   9  -3.053  -6.172   1.732
   97   1HB   PRO   9          2HB       PRO   9  -1.773  -4.389   3.377
   98   2HB   PRO   9          1HB       PRO   9  -1.733  -6.148   3.623
   99   1HG   PRO   9          2HG       PRO   9   0.292  -4.378   2.317
  100   2HG   PRO   9          1HG       PRO   9   0.533  -5.695   3.479
  101   1HD   PRO   9          2HD       PRO   9   0.951  -6.057   0.862
  102   2HD   PRO   9          1HD       PRO   9   0.258  -7.339   1.880
  103    H    LYS  10           H        LYS  10  -1.244  -4.325  -0.467
  104    HA   LYS  10           HA       LYS  10  -2.088  -1.661  -0.025
  105   1HB   LYS  10          2HB       LYS  10  -1.327  -3.364  -2.359
  106   2HB   LYS  10          1HB       LYS  10  -2.044  -1.792  -2.703
  107   1HG   LYS  10          2HG       LYS  10   0.270  -2.140  -0.786
  108   2HG   LYS  10          1HG       LYS  10   0.498  -1.820  -2.505
  109   1HD   LYS  10          2HD       LYS  10  -1.151   0.168  -2.099
  110   2HD   LYS  10          1HD       LYS  10  -0.715  -0.045  -0.403
  111   1HE   LYS  10          2HE       LYS  10   1.752  -0.126  -1.649
  112   2HE   LYS  10          1HE       LYS  10   0.878   1.094  -2.595
  113   1HZ   LYS  10          1HZ       LYS  10   0.142   2.082  -0.469
  114   2HZ   LYS  10          2HZ       LYS  10   1.827   2.154  -0.680
  115   3HZ   LYS  10          3HZ       LYS  10   1.147   0.998   0.362
  116    H    PHE  11           H        PHE  11  -3.935  -4.440  -0.951
  117    HA   PHE  11           HA       PHE  11  -6.100  -3.153  -2.337
  118   1HB   PHE  11          2HB       PHE  11  -5.648  -5.548  -2.435
  119   2HB   PHE  11          1HB       PHE  11  -5.889  -5.695  -0.693
  120    HD1  PHE  11           HD1      PHE  11  -8.073  -5.847   0.256
  121    HD2  PHE  11           HD2      PHE  11  -7.586  -4.904  -3.906
  122    HE1  PHE  11           HE1      PHE  11 -10.509  -6.156  -0.099
  123    HE2  PHE  11           HE2      PHE  11 -10.022  -5.213  -4.261
  124    HZ   PHE  11           HZ       PHE  11 -11.483  -5.839  -2.358
  125    H    LEU  12           H        LEU  12  -5.694  -4.106   1.096
  126    HA   LEU  12           HA       LEU  12  -8.161  -3.441   2.170
  127   1HB   LEU  12          2HB       LEU  12  -5.382  -3.573   3.032
  128   2HB   LEU  12          1HB       LEU  12  -6.279  -2.358   3.944
  129    HG   LEU  12           HG       LEU  12  -8.104  -4.158   4.205
  130   1HD1  LEU  12          1HD1      LEU  12  -6.092  -6.273   4.047
  131   2HD1  LEU  12          2HD1      LEU  12  -6.420  -5.541   2.478
  132   3HD1  LEU  12          3HD1      LEU  12  -7.738  -6.243   3.416
  133   1HD2  LEU  12          1HD2      LEU  12  -5.376  -4.325   5.506
  134   2HD2  LEU  12          2HD2      LEU  12  -6.738  -5.304   6.051
  135   3HD2  LEU  12          3HD2      LEU  12  -6.830  -3.545   6.129
  136    H    HIS  13           H        HIS  13  -5.696  -1.217   0.971
  137    HA   HIS  13           HA       HIS  13  -6.858   1.194   2.082
  138   1HB   HIS  13          2HB       HIS  13  -4.488   0.677   1.140
  139   2HB   HIS  13          1HB       HIS  13  -5.209   0.993  -0.438
  140    HD1  HIS  13           HD1      HIS  13  -7.192   3.240   0.844
  141    HD2  HIS  13           HD2      HIS  13  -3.029   3.153   1.028
  142    HE1  HIS  13           HE1      HIS  13  -6.443   5.627   1.242
  143    H    SER  14           H        SER  14  -7.172  -0.516  -1.026
  144    HA   SER  14           HA       SER  14  -8.884   1.482  -2.237
  145   1HB   SER  14          2HB       SER  14  -9.328  -0.873  -3.571
  146   2HB   SER  14          1HB       SER  14  -7.962   0.195  -3.880
  147    HG   SER  14           HG       SER  14  -7.236  -1.903  -3.461
  148    H    ALA  15           H        ALA  15  -9.379  -1.199  -0.112
  149    HA   ALA  15           HA       ALA  15 -12.225  -1.540  -0.649
  150   1HB   ALA  15          1HB       ALA  15 -10.219  -2.973   0.566
  151   2HB   ALA  15          2HB       ALA  15 -11.937  -3.337   0.727
  152   3HB   ALA  15          3HB       ALA  15 -11.120  -2.375   1.958
  153    H    LYS  16           H        LYS  16 -10.458   0.876   0.908
  154    HA   LYS  16           HA       LYS  16 -12.158   1.423   3.178
  155   1HB   LYS  16          2HB       LYS  16 -10.010   2.757   1.595
  156   2HB   LYS  16          1HB       LYS  16 -11.013   3.795   2.609
  157   1HG   LYS  16          2HG       LYS  16 -10.520   1.762   4.344
  158   2HG   LYS  16          1HG       LYS  16  -9.032   1.736   3.395
  159   1HD   LYS  16          2HD       LYS  16  -8.291   3.623   4.375
  160   2HD   LYS  16          1HD       LYS  16  -9.803   4.461   4.023
  161   1HE   LYS  16          2HE       LYS  16  -9.759   2.437   6.247
  162   2HE   LYS  16          1HE       LYS  16  -9.107   4.063   6.539
  163   1HZ   LYS  16          1HZ       LYS  16 -11.734   3.577   5.249
  164   2HZ   LYS  16          2HZ       LYS  16 -11.120   5.049   5.832
  165   3HZ   LYS  16          3HZ       LYS  16 -11.564   3.821   6.918
  166    H    LYS  17           H        LYS  17 -12.415   2.066  -0.244
  167    HA   LYS  17           HA       LYS  17 -14.149   4.335  -0.210
  168   1HB   LYS  17          2HB       LYS  17 -13.001   2.534  -2.048
  169   2HB   LYS  17          1HB       LYS  17 -14.742   2.413  -2.308
  170   1HG   LYS  17          2HG       LYS  17 -14.917   4.820  -2.603
  171   2HG   LYS  17          1HG       LYS  17 -13.213   5.028  -2.196
  172   1HD   LYS  17          2HD       LYS  17 -12.675   3.520  -4.173
  173   2HD   LYS  17          1HD       LYS  17 -14.372   3.662  -4.636
  174   1HE   LYS  17          2HE       LYS  17 -13.193   6.272  -4.036
  175   2HE   LYS  17          1HE       LYS  17 -12.354   5.441  -5.362
  176   1HZ   LYS  17          1HZ       LYS  17 -15.284   5.332  -5.264
  177   2HZ   LYS  17          2HZ       LYS  17 -14.247   5.300  -6.610
  178   3HZ   LYS  17          3HZ       LYS  17 -14.558   6.765  -5.809
  179    H    PHE  18           H        PHE  18 -14.689   1.107   0.832
  180    HA   PHE  18           HA       PHE  18 -17.630   1.260   0.446
  181   1HB   PHE  18          2HB       PHE  18 -15.600  -0.758   0.650
  182   2HB   PHE  18          1HB       PHE  18 -16.785  -1.027   1.929
  183    HD1  PHE  18           HD1      PHE  18 -19.326  -0.370   0.968
  184    HD2  PHE  18           HD2      PHE  18 -16.039  -1.998  -1.265
  185    HE1  PHE  18           HE1      PHE  18 -20.916  -1.293  -0.697
  186    HE2  PHE  18           HE2      PHE  18 -17.627  -2.921  -2.930
  187    HZ   PHE  18           HZ       PHE  18 -20.064  -2.570  -2.646
  188   1HN   NH2  19          1HN       NH2  19 -15.215   1.728   2.962
  189   2HN   NH2  19          2HN       NH2  19 -16.304   1.944   4.247
  Start of MODEL   14
    1   1H    LYS   1          1H        LYS   1  12.409  -4.998   5.422
    2   2H    LYS   1          2H        LYS   1  12.202  -6.585   4.852
    3   3H    LYS   1          3H        LYS   1  11.440  -6.088   6.287
    4    HA   LYS   1           HA       LYS   1   9.848  -4.844   5.194
    5   1HB   LYS   1          2HB       LYS   1  10.356  -4.288   2.697
    6   2HB   LYS   1          1HB       LYS   1  11.236  -3.410   3.946
    7   1HG   LYS   1          2HG       LYS   1  12.996  -5.356   3.681
    8   2HG   LYS   1          1HG       LYS   1  12.214  -5.588   2.119
    9   1HD   LYS   1          2HD       LYS   1  12.508  -3.001   1.872
   10   2HD   LYS   1          1HD       LYS   1  13.718  -3.191   3.140
   11   1HE   LYS   1          2HE       LYS   1  15.166  -4.360   1.770
   12   2HE   LYS   1          1HE       LYS   1  13.849  -5.089   0.829
   13   1HZ   LYS   1          1HZ       LYS   1  14.493  -3.485  -0.634
   14   2HZ   LYS   1          2HZ       LYS   1  15.066  -2.439   0.576
   15   3HZ   LYS   1          3HZ       LYS   1  13.398  -2.567   0.280
   16    H    TRP   2           H        TRP   2   9.353  -7.311   5.654
   17    HA   TRP   2           HA       TRP   2   8.490  -8.519   3.054
   18   1HB   TRP   2          2HB       TRP   2  10.617  -9.443   4.366
   19   2HB   TRP   2          1HB       TRP   2   9.385 -10.239   5.342
   20    HD1  TRP   2           HD1      TRP   2   7.436 -11.569   3.759
   21    HE1  TRP   2           HE1      TRP   2   7.879 -13.112   1.742
   22    HE3  TRP   2           HE3      TRP   2  12.146 -10.042   2.496
   23    HZ2  TRP   2           HZ2      TRP   2   9.953 -13.630  -0.155
   24    HZ3  TRP   2           HZ3      TRP   2  13.328 -11.078   0.579
   25    HH2  TRP   2           HH2      TRP   2  12.239 -12.868  -0.747
   26    H    LYS   3           H        LYS   3   8.179  -9.487   6.493
   27    HA   LYS   3           HA       LYS   3   5.313  -9.974   6.151
   28   1HB   LYS   3          2HB       LYS   3   7.266 -10.041   8.468
   29   2HB   LYS   3          1HB       LYS   3   5.563 -10.459   8.648
   30   1HG   LYS   3          2HG       LYS   3   6.111 -12.004   6.534
   31   2HG   LYS   3          1HG       LYS   3   7.733 -11.930   7.223
   32   1HD   LYS   3          2HD       LYS   3   6.884 -12.722   9.380
   33   2HD   LYS   3          1HD       LYS   3   5.236 -12.732   8.748
   34   1HE   LYS   3          2HE       LYS   3   7.552 -14.489   7.870
   35   2HE   LYS   3          1HE       LYS   3   6.006 -15.002   8.575
   36   1HZ   LYS   3          1HZ       LYS   3   5.033 -13.640   6.606
   37   2HZ   LYS   3          2HZ       LYS   3   5.576 -15.229   6.341
   38   3HZ   LYS   3          3HZ       LYS   3   6.551 -13.909   5.897
   39    H    LEU   4           H        LEU   4   7.101  -7.197   6.588
   40    HA   LEU   4           HA       LEU   4   5.473  -5.818   8.563
   41   1HB   LEU   4          2HB       LEU   4   7.560  -5.088   6.508
   42   2HB   LEU   4          1HB       LEU   4   6.740  -3.838   7.445
   43    HG   LEU   4           HG       LEU   4   7.511  -5.865   9.278
   44   1HD1  LEU   4          1HD1      LEU   4   9.864  -6.111   8.930
   45   2HD1  LEU   4          2HD1      LEU   4   9.864  -4.916   7.632
   46   3HD1  LEU   4          3HD1      LEU   4   9.105  -6.489   7.382
   47   1HD2  LEU   4          1HD2      LEU   4   9.088  -3.344   8.945
   48   2HD2  LEU   4          2HD2      LEU   4   8.418  -4.061  10.412
   49   3HD2  LEU   4          3HD2      LEU   4   7.363  -3.201   9.288
   50    H    PHE   5           H        PHE   5   4.819  -6.824   5.441
   51    HA   PHE   5           HA       PHE   5   3.539  -4.597   4.227
   52   1HB   PHE   5          2HB       PHE   5   4.010  -7.267   3.691
   53   2HB   PHE   5          1HB       PHE   5   2.253  -7.212   3.853
   54    HD1  PHE   5           HD1      PHE   5   0.903  -5.712   2.408
   55    HD2  PHE   5           HD2      PHE   5   5.137  -6.175   1.858
   56    HE1  PHE   5           HE1      PHE   5   0.720  -4.693   0.156
   57    HE2  PHE   5           HE2      PHE   5   4.954  -5.156  -0.397
   58    HZ   PHE   5           HZ       PHE   5   2.746  -4.415  -1.247
   59    H    LYS   6           H        LYS   6   2.680  -6.351   7.021
   60    HA   LYS   6           HA       LYS   6  -0.193  -6.106   6.917
   61   1HB   LYS   6          2HB       LYS   6   1.861  -7.119   8.618
   62   2HB   LYS   6          1HB       LYS   6   0.856  -6.045   9.593
   63   1HG   LYS   6          2HG       LYS   6  -0.768  -7.597   9.669
   64   2HG   LYS   6          1HG       LYS   6  -0.852  -7.617   7.907
   65   1HD   LYS   6          2HD       LYS   6   1.060  -9.206   7.857
   66   2HD   LYS   6          1HD       LYS   6   1.066  -9.226   9.620
   67   1HE   LYS   6          2HE       LYS   6  -0.209 -11.154   8.923
   68   2HE   LYS   6          1HE       LYS   6  -1.395  -9.955   9.476
   69   1HZ   LYS   6          1HZ       LYS   6  -0.936 -10.965   6.830
   70   2HZ   LYS   6          2HZ       LYS   6  -0.920  -9.266   6.882
   71   3HZ   LYS   6          3HZ       LYS   6  -2.275 -10.124   7.444
   72    H    LYS   7           H        LYS   7   2.252  -3.775   7.227
   73    HA   LYS   7           HA       LYS   7   0.696  -1.933   8.937
   74   1HB   LYS   7          2HB       LYS   7   3.176  -2.236   9.081
   75   2HB   LYS   7          1HB       LYS   7   3.316  -1.606   7.438
   76   1HG   LYS   7          2HG       LYS   7   3.618   0.357   8.600
   77   2HG   LYS   7          1HG       LYS   7   1.857   0.372   8.482
   78   1HD   LYS   7          2HD       LYS   7   1.846   0.511  10.739
   79   2HD   LYS   7          1HD       LYS   7   2.334  -1.183  10.731
   80   1HE   LYS   7          2HE       LYS   7   4.726  -0.475  10.687
   81   2HE   LYS   7          1HE       LYS   7   4.198   1.217  10.797
   82   1HZ   LYS   7          1HZ       LYS   7   4.573   0.431  13.007
   83   2HZ   LYS   7          2HZ       LYS   7   3.637  -0.962  12.736
   84   3HZ   LYS   7          3HZ       LYS   7   2.895   0.566  12.790
   85    H    ILE   8           H        ILE   8   1.768  -2.228   5.550
   86    HA   ILE   8           HA       ILE   8  -0.067   0.046   4.856
   87    HB   ILE   8           HB       ILE   8   2.414  -1.001   3.452
   88   1HG1  ILE   8          2HG1      ILE   8   2.858   0.061   5.669
   89   2HG1  ILE   8          1HG1      ILE   8   3.513   1.004   4.328
   90   1HG2  ILE   8          1HG2      ILE   8   2.206   0.899   2.012
   91   2HG2  ILE   8          2HG2      ILE   8   0.937   1.604   3.012
   92   3HG2  ILE   8          3HG2      ILE   8   0.610   0.153   2.064
   93   1HD1  ILE   8          1HD1      ILE   8   1.035   2.087   4.485
   94   2HD1  ILE   8          2HD1      ILE   8   2.419   2.720   5.377
   95   3HD1  ILE   8          3HD1      ILE   8   1.275   1.640   6.173
   96    HA   PRO   9           HA       PRO   9  -1.815  -3.666   2.821
   97   1HB   PRO   9          2HB       PRO   9  -4.413  -3.118   3.451
   98   2HB   PRO   9          1HB       PRO   9  -3.314  -3.969   4.554
   99   1HG   PRO   9          2HG       PRO   9  -4.290  -1.185   4.641
  100   2HG   PRO   9          1HG       PRO   9  -3.793  -2.253   5.959
  101   1HD   PRO   9          2HD       PRO   9  -2.276  -0.178   4.839
  102   2HD   PRO   9          1HD       PRO   9  -1.683  -1.449   5.928
  103    H    LYS  10           H        LYS  10  -0.987  -1.791   1.106
  104    HA   LYS  10           HA       LYS  10  -2.676   0.079  -0.077
  105   1HB   LYS  10          2HB       LYS  10  -0.464  -1.683  -0.868
  106   2HB   LYS  10          1HB       LYS  10  -1.510  -1.253  -2.222
  107   1HG   LYS  10          2HG       LYS  10  -1.041   1.069  -0.571
  108   2HG   LYS  10          1HG       LYS  10   0.498   0.348  -1.044
  109   1HD   LYS  10          2HD       LYS  10  -0.522   0.236  -3.426
  110   2HD   LYS  10          1HD       LYS  10  -1.710   1.387  -2.815
  111   1HE   LYS  10          2HE       LYS  10  -0.229   3.083  -3.042
  112   2HE   LYS  10          1HE       LYS  10   0.951   2.223  -2.033
  113   1HZ   LYS  10          1HZ       LYS  10   1.231   0.753  -4.117
  114   2HZ   LYS  10          2HZ       LYS  10   1.993   2.271  -4.084
  115   3HZ   LYS  10          3HZ       LYS  10   0.549   2.063  -4.951
  116    H    PHE  11           H        PHE  11  -2.918  -3.422  -0.144
  117    HA   PHE  11           HA       PHE  11  -4.836  -3.649  -2.291
  118   1HB   PHE  11          2HB       PHE  11  -3.263  -5.327  -0.875
  119   2HB   PHE  11          1HB       PHE  11  -4.782  -5.574  -0.014
  120    HD1  PHE  11           HD1      PHE  11  -3.168  -5.699  -3.360
  121    HD2  PHE  11           HD2      PHE  11  -6.596  -6.771  -1.005
  122    HE1  PHE  11           HE1      PHE  11  -3.974  -7.155  -5.198
  123    HE2  PHE  11           HE2      PHE  11  -7.403  -8.228  -2.844
  124    HZ   PHE  11           HZ       PHE  11  -6.092  -8.419  -4.939
  125    H    LEU  12           H        LEU  12  -5.211  -3.801   1.267
  126    HA   LEU  12           HA       LEU  12  -8.099  -3.764   1.201
  127   1HB   LEU  12          2HB       LEU  12  -6.111  -4.309   3.008
  128   2HB   LEU  12          1HB       LEU  12  -6.678  -2.743   3.585
  129    HG   LEU  12           HG       LEU  12  -8.989  -3.588   3.643
  130   1HD1  LEU  12          1HD1      LEU  12  -9.592  -5.447   2.527
  131   2HD1  LEU  12          2HD1      LEU  12  -8.401  -6.407   3.406
  132   3HD1  LEU  12          3HD1      LEU  12  -7.937  -5.567   1.925
  133   1HD2  LEU  12          1HD2      LEU  12  -7.827  -3.840   5.705
  134   2HD2  LEU  12          2HD2      LEU  12  -6.863  -5.181   5.085
  135   3HD2  LEU  12          3HD2      LEU  12  -8.580  -5.408   5.414
  136    H    HIS  13           H        HIS  13  -5.843  -1.351   0.520
  137    HA   HIS  13           HA       HIS  13  -6.967   0.955   1.782
  138   1HB   HIS  13          2HB       HIS  13  -4.774   0.966   0.766
  139   2HB   HIS  13          1HB       HIS  13  -5.444   0.505  -0.799
  140    HD1  HIS  13           HD1      HIS  13  -5.191   2.520  -2.255
  141    HD2  HIS  13           HD2      HIS  13  -6.602   3.523   1.537
  142    HE1  HIS  13           HE1      HIS  13  -5.700   5.001  -2.313
  143    H    SER  14           H        SER  14  -7.765  -0.723  -1.250
  144    HA   SER  14           HA       SER  14  -9.638   1.276  -2.187
  145   1HB   SER  14          2HB       SER  14  -9.959  -1.568  -2.964
  146   2HB   SER  14          1HB       SER  14  -9.772  -0.145  -3.984
  147    HG   SER  14           HG       SER  14  -7.712  -0.526  -4.055
  148    H    ALA  15           H        ALA  15  -9.745  -1.157   0.204
  149    HA   ALA  15           HA       ALA  15 -12.587  -1.733   0.172
  150   1HB   ALA  15          1HB       ALA  15 -10.228  -2.584   1.473
  151   2HB   ALA  15          2HB       ALA  15 -11.843  -3.269   1.660
  152   3HB   ALA  15          3HB       ALA  15 -11.290  -2.001   2.753
  153    H    LYS  16           H        LYS  16 -10.647   0.890   1.347
  154    HA   LYS  16           HA       LYS  16 -12.486   1.820   3.399
  155   1HB   LYS  16          2HB       LYS  16 -10.629   3.041   3.840
  156   2HB   LYS  16          1HB       LYS  16  -9.875   2.355   2.406
  157   1HG   LYS  16          2HG       LYS  16 -10.896   4.169   1.035
  158   2HG   LYS  16          1HG       LYS  16 -11.563   4.876   2.507
  159   1HD   LYS  16          2HD       LYS  16  -9.472   5.525   3.304
  160   2HD   LYS  16          1HD       LYS  16  -8.623   4.292   2.372
  161   1HE   LYS  16          2HE       LYS  16  -8.109   6.133   1.062
  162   2HE   LYS  16          1HE       LYS  16  -9.675   5.726   0.331
  163   1HZ   LYS  16          1HZ       LYS  16  -9.726   8.018   0.979
  164   2HZ   LYS  16          2HZ       LYS  16  -9.182   7.646   2.544
  165   3HZ   LYS  16          3HZ       LYS  16 -10.729   7.152   2.040
  166    H    LYS  17           H        LYS  17 -12.075   2.362  -0.071
  167    HA   LYS  17           HA       LYS  17 -13.906   4.619  -0.235
  168   1HB   LYS  17          2HB       LYS  17 -12.016   3.416  -1.832
  169   2HB   LYS  17          1HB       LYS  17 -13.513   2.873  -2.589
  170   1HG   LYS  17          2HG       LYS  17 -12.973   4.944  -3.647
  171   2HG   LYS  17          1HG       LYS  17 -14.274   5.311  -2.514
  172   1HD   LYS  17          2HD       LYS  17 -12.960   6.728  -1.360
  173   2HD   LYS  17          1HD       LYS  17 -11.699   5.505  -1.201
  174   1HE   LYS  17          2HE       LYS  17 -10.502   6.330  -2.974
  175   2HE   LYS  17          1HE       LYS  17 -11.965   6.720  -3.901
  176   1HZ   LYS  17          1HZ       LYS  17 -12.319   8.654  -2.695
  177   2HZ   LYS  17          2HZ       LYS  17 -10.630   8.649  -2.884
  178   3HZ   LYS  17          3HZ       LYS  17 -11.324   8.168  -1.410
  179    H    PHE  18           H        PHE  18 -14.304   1.263   0.215
  180    HA   PHE  18           HA       PHE  18 -16.880   0.990  -1.153
  181   1HB   PHE  18          2HB       PHE  18 -15.587  -0.969  -1.034
  182   2HB   PHE  18          1HB       PHE  18 -15.087  -0.651   0.626
  183    HD1  PHE  18           HD1      PHE  18 -17.998  -1.625  -1.490
  184    HD2  PHE  18           HD2      PHE  18 -16.335  -1.474   2.467
  185    HE1  PHE  18           HE1      PHE  18 -19.860  -3.035  -0.653
  186    HE2  PHE  18           HE2      PHE  18 -18.195  -2.883   3.304
  187    HZ   PHE  18           HZ       PHE  18 -19.958  -3.663   1.744
  188   1HN   NH2  19          1HN       NH2  19 -16.128   2.771   1.514
  189   2HN   NH2  19          2HN       NH2  19 -17.530   2.546   2.445
  Start of MODEL   15
    1   1H    LYS   1          1H        LYS   1  14.449  -8.329   5.287
    2   2H    LYS   1          2H        LYS   1  12.924  -8.475   4.552
    3   3H    LYS   1          3H        LYS   1  13.287  -9.373   5.948
    4    HA   LYS   1           HA       LYS   1  12.780  -7.689   7.327
    5   1HB   LYS   1          2HB       LYS   1  14.932  -6.683   6.580
    6   2HB   LYS   1          1HB       LYS   1  14.086  -5.913   5.237
    7   1HG   LYS   1          2HG       LYS   1  14.100  -4.208   6.838
    8   2HG   LYS   1          1HG       LYS   1  12.528  -4.957   7.117
    9   1HD   LYS   1          2HD       LYS   1  14.160  -6.491   8.705
   10   2HD   LYS   1          1HD       LYS   1  14.914  -4.903   8.846
   11   1HE   LYS   1          2HE       LYS   1  11.935  -5.351   9.220
   12   2HE   LYS   1          1HE       LYS   1  13.097  -5.326  10.561
   13   1HZ   LYS   1          1HZ       LYS   1  12.216  -3.150   8.838
   14   2HZ   LYS   1          2HZ       LYS   1  13.869  -3.174   9.227
   15   3HZ   LYS   1          3HZ       LYS   1  12.703  -3.114  10.461
   16    H    TRP   2           H        TRP   2  12.323  -6.737   3.898
   17    HA   TRP   2           HA       TRP   2   9.418  -6.574   4.280
   18   1HB   TRP   2          2HB       TRP   2   9.477  -4.095   3.609
   19   2HB   TRP   2          1HB       TRP   2   9.993  -4.472   5.251
   20    HD1  TRP   2           HD1      TRP   2  12.452  -5.411   2.583
   21    HE1  TRP   2           HE1      TRP   2  14.439  -3.769   2.616
   22    HE3  TRP   2           HE3      TRP   2  10.594  -1.846   5.730
   23    HZ2  TRP   2           HZ2      TRP   2  15.145  -1.271   3.820
   24    HZ3  TRP   2           HZ3      TRP   2  11.942   0.152   6.304
   25    HH2  TRP   2           HH2      TRP   2  14.215   0.444   5.353
   26    H    LYS   3           H        LYS   3  10.088  -8.232   2.491
   27    HA   LYS   3           HA       LYS   3  11.099  -7.321  -0.033
   28   1HB   LYS   3          2HB       LYS   3  10.494  -9.702   1.174
   29   2HB   LYS   3          1HB       LYS   3   9.177  -9.567   0.007
   30   1HG   LYS   3          2HG       LYS   3  10.882 -10.660  -1.205
   31   2HG   LYS   3          1HG       LYS   3  11.030  -8.975  -1.706
   32   1HD   LYS   3          2HD       LYS   3  12.739  -8.712   0.179
   33   2HD   LYS   3          1HD       LYS   3  12.739 -10.472   0.288
   34   1HE   LYS   3          2HE       LYS   3  13.050  -9.358  -2.453
   35   2HE   LYS   3          1HE       LYS   3  14.422  -9.117  -1.352
   36   1HZ   LYS   3          1HZ       LYS   3  13.295 -11.594  -2.391
   37   2HZ   LYS   3          2HZ       LYS   3  13.757 -11.618  -0.756
   38   3HZ   LYS   3          3HZ       LYS   3  14.894 -11.231  -1.958
   39    H    LEU   4           H        LEU   4   8.147  -6.717   1.500
   40    HA   LEU   4           HA       LEU   4   6.510  -6.528  -0.943
   41   1HB   LEU   4          2HB       LEU   4   6.072  -5.731   1.955
   42   2HB   LEU   4          1HB       LEU   4   4.818  -5.747   0.714
   43    HG   LEU   4           HG       LEU   4   6.468  -8.203   1.301
   44   1HD1  LEU   4          1HD1      LEU   4   4.437  -6.942   2.980
   45   2HD1  LEU   4          2HD1      LEU   4   5.505  -8.298   3.342
   46   3HD1  LEU   4          3HD1      LEU   4   3.982  -8.576   2.498
   47   1HD2  LEU   4          1HD2      LEU   4   4.939  -7.820  -0.780
   48   2HD2  LEU   4          2HD2      LEU   4   3.610  -8.043   0.359
   49   3HD2  LEU   4          3HD2      LEU   4   4.785  -9.335   0.110
   50    H    PHE   5           H        PHE   5   9.019  -4.755  -0.236
   51    HA   PHE   5           HA       PHE   5   7.969  -2.056  -0.003
   52   1HB   PHE   5          2HB       PHE   5  10.302  -3.212   0.544
   53   2HB   PHE   5          1HB       PHE   5  10.673  -2.706  -1.105
   54    HD1  PHE   5           HD1      PHE   5  10.374  -1.663   2.325
   55    HD2  PHE   5           HD2      PHE   5  10.269  -0.244  -1.728
   56    HE1  PHE   5           HE1      PHE   5  10.779   0.649   3.125
   57    HE2  PHE   5           HE2      PHE   5  10.673   2.069  -0.927
   58    HZ   PHE   5           HZ       PHE   5  10.926   2.515   1.499
   59    H    LYS   6           H        LYS   6   8.117  -4.230  -2.594
   60    HA   LYS   6           HA       LYS   6   8.015  -1.982  -4.571
   61   1HB   LYS   6          2HB       LYS   6   9.865  -3.969  -4.381
   62   2HB   LYS   6          1HB       LYS   6   8.688  -4.728  -5.457
   63   1HG   LYS   6          2HG       LYS   6   8.927  -3.089  -7.094
   64   2HG   LYS   6          1HG       LYS   6   9.544  -1.898  -5.949
   65   1HD   LYS   6          2HD       LYS   6  11.449  -3.836  -5.738
   66   2HD   LYS   6          1HD       LYS   6  10.989  -4.009  -7.433
   67   1HE   LYS   6          2HE       LYS   6  11.514  -1.264  -6.303
   68   2HE   LYS   6          1HE       LYS   6  12.865  -2.283  -6.837
   69   1HZ   LYS   6          1HZ       LYS   6  10.781  -1.023  -8.403
   70   2HZ   LYS   6          2HZ       LYS   6  11.075  -2.648  -8.807
   71   3HZ   LYS   6          3HZ       LYS   6  12.337  -1.512  -8.867
   72    H    LYS   7           H        LYS   7   5.946  -3.852  -2.969
   73    HA   LYS   7           HA       LYS   7   4.063  -3.983  -5.252
   74   1HB   LYS   7          2HB       LYS   7   3.695  -6.341  -5.022
   75   2HB   LYS   7          1HB       LYS   7   5.438  -6.108  -5.119
   76   1HG   LYS   7          2HG       LYS   7   5.773  -6.618  -2.879
   77   2HG   LYS   7          1HG       LYS   7   4.145  -6.132  -2.413
   78   1HD   LYS   7          2HD       LYS   7   3.694  -8.351  -2.397
   79   2HD   LYS   7          1HD       LYS   7   3.636  -8.196  -4.152
   80   1HE   LYS   7          2HE       LYS   7   5.496  -9.466  -4.390
   81   2HE   LYS   7          1HE       LYS   7   6.388  -8.455  -3.238
   82   1HZ   LYS   7          1HZ       LYS   7   4.542  -9.793  -1.713
   83   2HZ   LYS   7          2HZ       LYS   7   6.199 -10.141  -1.814
   84   3HZ   LYS   7          3HZ       LYS   7   5.093 -10.967  -2.803
   85    H    ILE   8           H        ILE   8   4.264  -2.488  -2.714
   86    HA   ILE   8           HA       ILE   8   2.733  -3.328  -0.569
   87    HB   ILE   8           HB       ILE   8   3.064  -0.738  -2.048
   88   1HG1  ILE   8          2HG1      ILE   8   4.804  -1.713  -0.510
   89   2HG1  ILE   8          1HG1      ILE   8   4.241  -0.114  -0.023
   90   1HG2  ILE   8          1HG2      ILE   8   1.080  -1.304   0.148
   91   2HG2  ILE   8          2HG2      ILE   8   0.862  -0.346  -1.316
   92   3HG2  ILE   8          3HG2      ILE   8   1.834   0.283   0.014
   93   1HD1  ILE   8          1HD1      ILE   8   3.786  -1.015   1.997
   94   2HD1  ILE   8          2HD1      ILE   8   4.021  -2.654   1.390
   95   3HD1  ILE   8          3HD1      ILE   8   2.454  -1.866   1.215
   96    HA   PRO   9           HA       PRO   9  -1.046  -4.375  -2.801
   97   1HB   PRO   9          2HB       PRO   9  -2.211  -5.650  -0.678
   98   2HB   PRO   9          1HB       PRO   9  -0.992  -6.419  -1.715
   99   1HG   PRO   9          2HG       PRO   9  -0.675  -5.173   0.972
  100   2HG   PRO   9          1HG       PRO   9   0.057  -6.648   0.319
  101   1HD   PRO   9          2HD       PRO   9   1.390  -4.289   0.497
  102   2HD   PRO   9          1HD       PRO   9   1.727  -5.502  -0.758
  103    H    LYS  10           H        LYS  10  -1.820  -2.181  -2.917
  104    HA   LYS  10           HA       LYS  10  -2.876  -0.809  -0.570
  105   1HB   LYS  10          2HB       LYS  10  -3.330  -0.311  -3.531
  106   2HB   LYS  10          1HB       LYS  10  -3.504   0.863  -2.225
  107   1HG   LYS  10          2HG       LYS  10  -0.900  -0.286  -2.019
  108   2HG   LYS  10          1HG       LYS  10  -1.143   0.205  -3.695
  109   1HD   LYS  10          2HD       LYS  10  -1.313   2.436  -3.163
  110   2HD   LYS  10          1HD       LYS  10  -2.035   2.112  -1.587
  111   1HE   LYS  10          2HE       LYS  10   0.137   1.426  -0.686
  112   2HE   LYS  10          1HE       LYS  10   0.887   1.636  -2.279
  113   1HZ   LYS  10          1HZ       LYS  10   0.295   3.610  -0.337
  114   2HZ   LYS  10          2HZ       LYS  10  -0.558   3.950  -1.767
  115   3HZ   LYS  10          3HZ       LYS  10   1.133   3.780  -1.801
  116    H    PHE  11           H        PHE  11  -3.970  -3.479  -2.151
  117    HA   PHE  11           HA       PHE  11  -6.700  -3.028  -2.742
  118   1HB   PHE  11          2HB       PHE  11  -5.377  -5.045  -3.288
  119   2HB   PHE  11          1HB       PHE  11  -5.272  -5.442  -1.573
  120    HD1  PHE  11           HD1      PHE  11  -7.534  -5.180  -4.484
  121    HD2  PHE  11           HD2      PHE  11  -7.176  -6.333  -0.363
  122    HE1  PHE  11           HE1      PHE  11  -9.726  -6.333  -4.618
  123    HE2  PHE  11           HE2      PHE  11  -9.368  -7.487  -0.496
  124    HZ   PHE  11           HZ       PHE  11 -10.642  -7.487  -2.623
  125    H    LEU  12           H        LEU  12  -5.107  -3.910   0.326
  126    HA   LEU  12           HA       LEU  12  -7.495  -4.161   1.899
  127   1HB   LEU  12          2HB       LEU  12  -4.769  -4.496   2.214
  128   2HB   LEU  12          1HB       LEU  12  -5.093  -3.090   3.230
  129    HG   LEU  12           HG       LEU  12  -7.166  -4.615   3.985
  130   1HD1  LEU  12          1HD1      LEU  12  -6.513  -6.452   2.442
  131   2HD1  LEU  12          2HD1      LEU  12  -6.481  -6.964   4.130
  132   3HD1  LEU  12          3HD1      LEU  12  -4.973  -6.595   3.292
  133   1HD2  LEU  12          1HD2      LEU  12  -4.442  -5.239   5.115
  134   2HD2  LEU  12          2HD2      LEU  12  -5.966  -5.017   5.972
  135   3HD2  LEU  12          3HD2      LEU  12  -5.134  -3.625   5.279
  136    H    HIS  13           H        HIS  13  -5.401  -1.393   1.130
  137    HA   HIS  13           HA       HIS  13  -6.930   0.461   2.806
  138   1HB   HIS  13          2HB       HIS  13  -4.522   0.399   1.109
  139   2HB   HIS  13          1HB       HIS  13  -5.385   1.937   1.058
  140    HD1  HIS  13           HD1      HIS  13  -5.728   0.033   4.203
  141    HD2  HIS  13           HD2      HIS  13  -3.208   2.999   2.708
  142    HE1  HIS  13           HE1      HIS  13  -4.504   1.003   6.196
  143    H    SER  14           H        SER  14  -7.175  -0.841  -0.378
  144    HA   SER  14           HA       SER  14  -8.573   1.371  -1.632
  145   1HB   SER  14          2HB       SER  14  -7.366  -0.966  -2.416
  146   2HB   SER  14          1HB       SER  14  -9.068  -1.389  -2.558
  147    HG   SER  14           HG       SER  14  -7.551   0.492  -3.942
  148    H    ALA  15           H        ALA  15  -9.430  -1.010   0.652
  149    HA   ALA  15           HA       ALA  15 -12.188  -1.462   0.051
  150   1HB   ALA  15          1HB       ALA  15 -10.969  -2.816   1.641
  151   2HB   ALA  15          2HB       ALA  15 -12.230  -1.976   2.544
  152   3HB   ALA  15          3HB       ALA  15 -10.564  -1.401   2.614
  153    H    LYS  16           H        LYS  16 -10.501   1.298   1.288
  154    HA   LYS  16           HA       LYS  16 -12.305   2.667   2.891
  155   1HB   LYS  16          2HB       LYS  16 -11.339   4.713   1.700
  156   2HB   LYS  16          1HB       LYS  16 -10.154   3.575   2.339
  157   1HG   LYS  16          2HG       LYS  16  -9.273   3.611   0.250
  158   2HG   LYS  16          1HG       LYS  16 -10.621   2.561  -0.181
  159   1HD   LYS  16          2HD       LYS  16 -11.971   4.519  -0.799
  160   2HD   LYS  16          1HD       LYS  16 -10.646   5.590  -0.337
  161   1HE   LYS  16          2HE       LYS  16  -9.247   4.787  -2.109
  162   2HE   LYS  16          1HE       LYS  16 -10.332   3.423  -2.437
  163   1HZ   LYS  16          1HZ       LYS  16 -10.633   6.236  -3.128
  164   2HZ   LYS  16          2HZ       LYS  16 -12.041   5.443  -2.601
  165   3HZ   LYS  16          3HZ       LYS  16 -11.183   4.857  -3.945
  166    H    LYS  17           H        LYS  17 -12.630   1.924  -0.519
  167    HA   LYS  17           HA       LYS  17 -14.566   3.857  -1.294
  168   1HB   LYS  17          2HB       LYS  17 -13.506   2.490  -2.933
  169   2HB   LYS  17          1HB       LYS  17 -13.948   1.005  -2.090
  170   1HG   LYS  17          2HG       LYS  17 -15.983   0.931  -3.073
  171   2HG   LYS  17          1HG       LYS  17 -16.273   2.646  -2.779
  172   1HD   LYS  17          2HD       LYS  17 -15.430   3.281  -4.816
  173   2HD   LYS  17          1HD       LYS  17 -14.239   1.978  -4.846
  174   1HE   LYS  17          2HE       LYS  17 -15.676   1.101  -6.421
  175   2HE   LYS  17          1HE       LYS  17 -16.552   0.533  -4.985
  176   1HZ   LYS  17          1HZ       LYS  17 -17.969   1.837  -6.511
  177   2HZ   LYS  17          2HZ       LYS  17 -16.960   3.182  -6.270
  178   3HZ   LYS  17          3HZ       LYS  17 -17.847   2.539  -4.972
  179    H    PHE  18           H        PHE  18 -15.139   0.484  -0.200
  180    HA   PHE  18           HA       PHE  18 -17.950   1.250   0.464
  181   1HB   PHE  18          2HB       PHE  18 -17.011  -0.760  -1.031
  182   2HB   PHE  18          1HB       PHE  18 -16.904  -1.552   0.541
  183    HD1  PHE  18           HD1      PHE  18 -18.803  -2.572   1.453
  184    HD2  PHE  18           HD2      PHE  18 -19.273   0.458  -1.556
  185    HE1  PHE  18           HE1      PHE  18 -21.246  -2.997   1.406
  186    HE2  PHE  18           HE2      PHE  18 -21.715   0.032  -1.603
  187    HZ   PHE  18           HZ       PHE  18 -22.703  -1.695  -0.122
  188   1HN   NH2  19          1HN       NH2  19 -15.043   1.159   2.078
  189   2HN   NH2  19          2HN       NH2  19 -15.573   0.668   3.614
  Start of MODEL   16
    1   1H    LYS   1          1H        LYS   1  17.124  -1.104  -3.829
    2   2H    LYS   1          2H        LYS   1  16.916  -2.345  -4.971
    3   3H    LYS   1          3H        LYS   1  16.495  -2.604  -3.346
    4    HA   LYS   1           HA       LYS   1  14.934  -0.527  -3.817
    5   1HB   LYS   1          2HB       LYS   1  15.965  -1.568  -6.372
    6   2HB   LYS   1          1HB       LYS   1  14.206  -1.432  -6.325
    7   1HG   LYS   1          2HG       LYS   1  14.248   0.863  -6.100
    8   2HG   LYS   1          1HG       LYS   1  15.797   0.856  -5.254
    9   1HD   LYS   1          2HD       LYS   1  16.891   0.181  -7.423
   10   2HD   LYS   1          1HD       LYS   1  15.337   0.438  -8.219
   11   1HE   LYS   1          2HE       LYS   1  15.801   2.647  -8.372
   12   2HE   LYS   1          1HE       LYS   1  15.890   2.741  -6.601
   13   1HZ   LYS   1          1HZ       LYS   1  18.049   3.207  -7.086
   14   2HZ   LYS   1          2HZ       LYS   1  18.035   2.344  -8.550
   15   3HZ   LYS   1          3HZ       LYS   1  18.164   1.515  -7.073
   16    H    TRP   2           H        TRP   2  14.278  -2.199  -2.124
   17    HA   TRP   2           HA       TRP   2  12.383  -4.185  -3.336
   18   1HB   TRP   2          2HB       TRP   2  13.036  -5.715  -1.544
   19   2HB   TRP   2          1HB       TRP   2  14.485  -5.169  -2.388
   20    HD1  TRP   2           HD1      TRP   2  12.497  -4.534   0.838
   21    HE1  TRP   2           HE1      TRP   2  14.091  -3.519   2.593
   22    HE3  TRP   2           HE3      TRP   2  16.689  -3.937  -2.018
   23    HZ2  TRP   2           HZ2      TRP   2  16.788  -2.579   2.761
   24    HZ3  TRP   2           HZ3      TRP   2  18.753  -2.982  -1.038
   25    HH2  TRP   2           HH2      TRP   2  18.809  -2.302   1.347
   26    H    LYS   3           H        LYS   3  12.598  -1.389  -1.595
   27    HA   LYS   3           HA       LYS   3  10.728  -1.936   0.570
   28   1HB   LYS   3          2HB       LYS   3  12.547   0.028  -0.139
   29   2HB   LYS   3          1HB       LYS   3  10.995   0.827  -0.391
   30   1HG   LYS   3          2HG       LYS   3  11.443   1.252   1.879
   31   2HG   LYS   3          1HG       LYS   3  10.372  -0.148   1.942
   32   1HD   LYS   3          2HD       LYS   3  11.985  -1.464   2.822
   33   2HD   LYS   3          1HD       LYS   3  13.180  -0.910   1.649
   34   1HE   LYS   3          2HE       LYS   3  12.414   1.086   3.712
   35   2HE   LYS   3          1HE       LYS   3  13.344  -0.311   4.292
   36   1HZ   LYS   3          1HZ       LYS   3  14.510   1.772   3.164
   37   2HZ   LYS   3          2HZ       LYS   3  14.165   0.883   1.758
   38   3HZ   LYS   3          3HZ       LYS   3  15.113   0.196   2.989
   39    H    LEU   4           H        LEU   4  10.280  -1.835  -2.720
   40    HA   LEU   4           HA       LEU   4   7.812  -0.278  -2.848
   41   1HB   LEU   4          2HB       LEU   4   9.277  -2.203  -4.667
   42   2HB   LEU   4          1HB       LEU   4   7.760  -1.435  -5.139
   43    HG   LEU   4           HG       LEU   4   9.458   0.594  -4.074
   44   1HD1  LEU   4          1HD1      LEU   4  11.488   0.373  -5.172
   45   2HD1  LEU   4          2HD1      LEU   4  10.815  -0.671  -6.424
   46   3HD1  LEU   4          3HD1      LEU   4  11.149  -1.320  -4.819
   47   1HD2  LEU   4          1HD2      LEU   4   7.760   1.061  -5.706
   48   2HD2  LEU   4          2HD2      LEU   4   8.436  -0.110  -6.838
   49   3HD2  LEU   4          3HD2      LEU   4   9.306   1.386  -6.492
   50    H    PHE   5           H        PHE   5   8.536  -3.258  -1.528
   51    HA   PHE   5           HA       PHE   5   6.192  -4.772  -2.370
   52   1HB   PHE   5          2HB       PHE   5   8.184  -5.923  -1.692
   53   2HB   PHE   5          1HB       PHE   5   8.281  -4.995  -0.194
   54    HD1  PHE   5           HD1      PHE   5   5.556  -6.913  -1.929
   55    HD2  PHE   5           HD2      PHE   5   7.816  -6.301   1.673
   56    HE1  PHE   5           HE1      PHE   5   4.185  -8.628  -0.776
   57    HE2  PHE   5           HE2      PHE   5   6.443  -8.015   2.825
   58    HZ   PHE   5           HZ       PHE   5   4.628  -9.178   1.600
   59    H    LYS   6           H        LYS   6   6.582  -2.123  -0.360
   60    HA   LYS   6           HA       LYS   6   4.654  -2.881   1.716
   61   1HB   LYS   6          2HB       LYS   6   6.739  -1.347   1.825
   62   2HB   LYS   6          1HB       LYS   6   5.711  -0.130   1.067
   63   1HG   LYS   6          2HG       LYS   6   4.905   0.363   3.104
   64   2HG   LYS   6          1HG       LYS   6   4.163  -1.238   3.136
   65   1HD   LYS   6          2HD       LYS   6   5.515  -1.736   4.869
   66   2HD   LYS   6          1HD       LYS   6   6.865  -1.687   3.736
   67   1HE   LYS   6          2HE       LYS   6   7.158   0.728   4.162
   68   2HE   LYS   6          1HE       LYS   6   5.793   0.691   5.297
   69   1HZ   LYS   6          1HZ       LYS   6   7.995   0.381   6.379
   70   2HZ   LYS   6          2HZ       LYS   6   8.177  -1.068   5.511
   71   3HZ   LYS   6          3HZ       LYS   6   6.919  -0.904   6.642
   72    H    LYS   7           H        LYS   7   4.251  -2.054  -1.488
   73    HA   LYS   7           HA       LYS   7   1.648  -0.680  -0.891
   74   1HB   LYS   7          2HB       LYS   7   2.020   0.606  -2.935
   75   2HB   LYS   7          1HB       LYS   7   3.432   0.761  -1.890
   76   1HG   LYS   7          2HG       LYS   7   4.676  -0.824  -3.186
   77   2HG   LYS   7          1HG       LYS   7   3.242  -1.307  -4.090
   78   1HD   LYS   7          2HD       LYS   7   4.541   0.184  -5.490
   79   2HD   LYS   7          1HD       LYS   7   3.090   1.044  -4.972
   80   1HE   LYS   7          2HE       LYS   7   5.228   1.395  -3.031
   81   2HE   LYS   7          1HE       LYS   7   5.736   1.927  -4.647
   82   1HZ   LYS   7          1HZ       LYS   7   3.097   2.613  -3.481
   83   2HZ   LYS   7          2HZ       LYS   7   3.830   3.279  -4.861
   84   3HZ   LYS   7          3HZ       LYS   7   4.454   3.616  -3.318
   85    H    ILE   8           H        ILE   8   3.370  -3.029  -2.908
   86    HA   ILE   8           HA       ILE   8   1.453  -3.670  -4.833
   87    HB   ILE   8           HB       ILE   8   3.584  -5.105  -3.314
   88   1HG1  ILE   8          2HG1      ILE   8   3.969  -5.621  -5.938
   89   2HG1  ILE   8          1HG1      ILE   8   2.994  -4.156  -6.067
   90   1HG2  ILE   8          1HG2      ILE   8   2.415  -7.066  -3.388
   91   2HG2  ILE   8          2HG2      ILE   8   2.850  -7.041  -5.097
   92   3HG2  ILE   8          3HG2      ILE   8   1.271  -6.449  -4.580
   93   1HD1  ILE   8          1HD1      ILE   8   5.591  -4.489  -4.543
   94   2HD1  ILE   8          2HD1      ILE   8   4.564  -3.060  -4.426
   95   3HD1  ILE   8          3HD1      ILE   8   5.313  -3.485  -5.965
   96    HA   PRO   9           HA       PRO   9  -0.840  -6.516  -1.764
   97   1HB   PRO   9          2HB       PRO   9  -0.027  -6.590   0.840
   98   2HB   PRO   9          1HB       PRO   9   0.667  -7.638  -0.414
   99   1HG   PRO   9          2HG       PRO   9   1.769  -5.168   0.809
  100   2HG   PRO   9          1HG       PRO   9   2.603  -6.631   0.266
  101   1HD   PRO   9          2HD       PRO   9   2.515  -4.264  -1.144
  102   2HD   PRO   9          1HD       PRO   9   2.823  -5.863  -1.857
  103    H    LYS  10           H        LYS  10  -0.462  -3.326  -1.692
  104    HA   LYS  10           HA       LYS  10  -1.956  -2.613   0.731
  105   1HB   LYS  10          2HB       LYS  10  -0.109  -1.301  -0.468
  106   2HB   LYS  10          1HB       LYS  10  -1.319  -0.918  -1.694
  107   1HG   LYS  10          2HG       LYS  10  -1.803   0.854  -0.356
  108   2HG   LYS  10          1HG       LYS  10  -2.678  -0.331   0.615
  109   1HD   LYS  10          2HD       LYS  10  -0.894  -0.571   2.145
  110   2HD   LYS  10          1HD       LYS  10   0.268   0.158   1.037
  111   1HE   LYS  10          2HE       LYS  10  -2.089   1.759   2.035
  112   2HE   LYS  10          1HE       LYS  10  -0.603   1.632   2.997
  113   1HZ   LYS  10          1HZ       LYS  10   0.599   2.180   0.857
  114   2HZ   LYS  10          2HZ       LYS  10  -0.261   3.457   1.576
  115   3HZ   LYS  10          3HZ       LYS  10  -0.905   2.646   0.229
  116    H    PHE  11           H        PHE  11  -3.323  -4.431  -1.200
  117    HA   PHE  11           HA       PHE  11  -5.291  -2.881  -2.675
  118   1HB   PHE  11          2HB       PHE  11  -4.614  -5.150  -3.307
  119   2HB   PHE  11          1HB       PHE  11  -5.168  -5.772  -1.752
  120    HD1  PHE  11           HD1      PHE  11  -6.643  -3.380  -4.239
  121    HD2  PHE  11           HD2      PHE  11  -7.114  -7.029  -2.024
  122    HE1  PHE  11           HE1      PHE  11  -8.934  -3.638  -5.153
  123    HE2  PHE  11           HE2      PHE  11  -9.405  -7.288  -2.938
  124    HZ   PHE  11           HZ       PHE  11 -10.315  -5.592  -4.502
  125    H    LEU  12           H        LEU  12  -5.008  -4.079   0.597
  126    HA   LEU  12           HA       LEU  12  -7.795  -4.054   1.318
  127   1HB   LEU  12          2HB       LEU  12  -5.499  -4.908   2.436
  128   2HB   LEU  12          1HB       LEU  12  -5.663  -3.374   3.291
  129    HG   LEU  12           HG       LEU  12  -8.001  -4.022   3.905
  130   1HD1  LEU  12          1HD1      LEU  12  -7.189  -6.437   2.323
  131   2HD1  LEU  12          2HD1      LEU  12  -8.730  -5.581   2.341
  132   3HD1  LEU  12          3HD1      LEU  12  -8.294  -6.641   3.681
  133   1HD2  LEU  12          1HD2      LEU  12  -5.537  -5.431   4.773
  134   2HD2  LEU  12          2HD2      LEU  12  -7.056  -6.179   5.268
  135   3HD2  LEU  12          3HD2      LEU  12  -6.703  -4.513   5.726
  136    H    HIS  13           H        HIS  13  -5.598  -1.530   0.603
  137    HA   HIS  13           HA       HIS  13  -6.678   0.509   2.373
  138   1HB   HIS  13          2HB       HIS  13  -4.424   0.628   1.469
  139   2HB   HIS  13          1HB       HIS  13  -5.042   0.556  -0.181
  140    HD1  HIS  13           HD1      HIS  13  -6.616   2.648  -0.900
  141    HD2  HIS  13           HD2      HIS  13  -4.274   3.203   2.505
  142    HE1  HIS  13           HE1      HIS  13  -6.550   5.144  -0.474
  143    H    SER  14           H        SER  14  -7.516  -0.744  -0.799
  144    HA   SER  14           HA       SER  14  -9.158   1.518  -1.605
  145   1HB   SER  14          2HB       SER  14  -8.008  -0.628  -2.823
  146   2HB   SER  14          1HB       SER  14  -9.669  -1.198  -2.683
  147    HG   SER  14           HG       SER  14 -10.319   0.336  -4.015
  148    H    ALA  15           H        ALA  15  -9.572  -0.763   0.794
  149    HA   ALA  15           HA       ALA  15 -12.343  -1.491   0.488
  150   1HB   ALA  15          1HB       ALA  15 -12.084  -2.238   2.780
  151   2HB   ALA  15          2HB       ALA  15 -10.704  -1.166   3.019
  152   3HB   ALA  15          3HB       ALA  15 -10.566  -2.555   1.942
  153    H    LYS  16           H        LYS  16 -10.759   1.424   1.468
  154    HA   LYS  16           HA       LYS  16 -12.736   2.555   3.202
  155   1HB   LYS  16          2HB       LYS  16 -10.294   3.255   1.861
  156   2HB   LYS  16          1HB       LYS  16 -11.460   4.558   1.619
  157   1HG   LYS  16          2HG       LYS  16 -11.585   3.599   4.345
  158   2HG   LYS  16          1HG       LYS  16  -9.932   4.060   3.935
  159   1HD   LYS  16          2HD       LYS  16 -10.533   6.272   3.438
  160   2HD   LYS  16          1HD       LYS  16 -12.229   5.855   3.191
  161   1HE   LYS  16          2HE       LYS  16 -11.416   5.157   5.887
  162   2HE   LYS  16          1HE       LYS  16 -11.097   6.871   5.558
  163   1HZ   LYS  16          1HZ       LYS  16 -13.402   6.729   4.393
  164   2HZ   LYS  16          2HZ       LYS  16 -13.319   6.933   6.078
  165   3HZ   LYS  16          3HZ       LYS  16 -13.638   5.399   5.418
  166    H    LYS  17           H        LYS  17 -12.524   2.280  -0.300
  167    HA   LYS  17           HA       LYS  17 -14.709   4.191  -0.780
  168   1HB   LYS  17          2HB       LYS  17 -12.758   2.554  -2.303
  169   2HB   LYS  17          1HB       LYS  17 -14.284   2.881  -3.126
  170   1HG   LYS  17          2HG       LYS  17 -13.792   5.073  -3.407
  171   2HG   LYS  17          1HG       LYS  17 -13.167   5.231  -1.765
  172   1HD   LYS  17          2HD       LYS  17 -11.025   4.909  -2.426
  173   2HD   LYS  17          1HD       LYS  17 -11.467   3.584  -3.504
  174   1HE   LYS  17          2HE       LYS  17 -12.466   6.150  -4.486
  175   2HE   LYS  17          1HE       LYS  17 -10.698   6.134  -4.322
  176   1HZ   LYS  17          1HZ       LYS  17 -11.479   5.185  -6.455
  177   2HZ   LYS  17          2HZ       LYS  17 -12.285   3.965  -5.590
  178   3HZ   LYS  17          3HZ       LYS  17 -10.591   4.081  -5.524
  179    H    PHE  18           H        PHE  18 -14.510   0.958   0.194
  180    HA   PHE  18           HA       PHE  18 -17.289   0.439  -0.813
  181   1HB   PHE  18          2HB       PHE  18 -15.210  -0.804  -1.826
  182   2HB   PHE  18          1HB       PHE  18 -15.249  -1.720  -0.320
  183    HD1  PHE  18           HD1      PHE  18 -17.519  -0.551  -3.064
  184    HD2  PHE  18           HD2      PHE  18 -16.648  -3.590  -0.156
  185    HE1  PHE  18           HE1      PHE  18 -19.373  -1.936  -3.956
  186    HE2  PHE  18           HE2      PHE  18 -18.502  -4.976  -1.049
  187    HZ   PHE  18           HZ       PHE  18 -19.865  -4.148  -2.949
  188   1HN   NH2  19          1HN       NH2  19 -16.813   1.616   1.761
  189   2HN   NH2  19          2HN       NH2  19 -17.152   0.466   2.962
  Start of MODEL   17
    1   1H    LYS   1          1H        LYS   1  16.531   2.065  -3.136
    2   2H    LYS   1          2H        LYS   1  16.067   1.467  -1.617
    3   3H    LYS   1          3H        LYS   1  17.699   1.433  -2.084
    4    HA   LYS   1           HA       LYS   1  17.816   3.301  -0.831
    5   1HB   LYS   1          2HB       LYS   1  17.485   3.637  -3.616
    6   2HB   LYS   1          1HB       LYS   1  16.607   4.970  -2.863
    7   1HG   LYS   1          2HG       LYS   1  18.598   5.995  -2.590
    8   2HG   LYS   1          1HG       LYS   1  18.968   4.767  -1.378
    9   1HD   LYS   1          2HD       LYS   1  20.756   4.792  -3.024
   10   2HD   LYS   1          1HD       LYS   1  19.837   3.297  -3.212
   11   1HE   LYS   1          2HE       LYS   1  18.879   3.978  -5.222
   12   2HE   LYS   1          1HE       LYS   1  19.025   5.701  -4.823
   13   1HZ   LYS   1          1HZ       LYS   1  21.088   3.835  -5.770
   14   2HZ   LYS   1          2HZ       LYS   1  21.549   5.116  -4.754
   15   3HZ   LYS   1          3HZ       LYS   1  20.793   5.437  -6.242
   16    H    TRP   2           H        TRP   2  14.894   4.287  -2.616
   17    HA   TRP   2           HA       TRP   2  13.424   4.428  -0.014
   18   1HB   TRP   2          2HB       TRP   2  12.883   6.662  -1.841
   19   2HB   TRP   2          1HB       TRP   2  13.248   6.693  -0.120
   20    HD1  TRP   2           HD1      TRP   2  14.799   7.139  -3.519
   21    HE1  TRP   2           HE1      TRP   2  17.262   7.851  -3.262
   22    HE3  TRP   2           HE3      TRP   2  15.410   6.400   1.496
   23    HZ2  TRP   2           HZ2      TRP   2  19.233   8.078  -1.201
   24    HZ3  TRP   2           HZ3      TRP   2  17.587   6.871   2.579
   25    HH2  TRP   2           HH2      TRP   2  19.499   7.709   1.240
   26    H    LYS   3           H        LYS   3  13.326   4.123  -3.523
   27    HA   LYS   3           HA       LYS   3  10.532   4.297  -3.954
   28   1HB   LYS   3          2HB       LYS   3  11.130   2.784  -5.936
   29   2HB   LYS   3          1HB       LYS   3  12.035   4.292  -5.801
   30   1HG   LYS   3          2HG       LYS   3  13.457   2.422  -4.245
   31   2HG   LYS   3          1HG       LYS   3  13.016   1.572  -5.726
   32   1HD   LYS   3          2HD       LYS   3  14.342   2.886  -7.034
   33   2HD   LYS   3          1HD       LYS   3  13.974   4.343  -6.112
   34   1HE   LYS   3          2HE       LYS   3  16.161   4.074  -5.423
   35   2HE   LYS   3          1HE       LYS   3  15.400   2.980  -4.254
   36   1HZ   LYS   3          1HZ       LYS   3  15.862   1.831  -6.868
   37   2HZ   LYS   3          2HZ       LYS   3  16.138   1.167  -5.328
   38   3HZ   LYS   3          3HZ       LYS   3  17.280   2.218  -6.021
   39    H    LEU   4           H        LEU   4  12.214   1.976  -2.129
   40    HA   LEU   4           HA       LEU   4  10.668  -0.383  -2.666
   41   1HB   LEU   4          2HB       LEU   4  11.675  -1.170  -0.617
   42   2HB   LEU   4          1HB       LEU   4  12.867  -0.139  -1.410
   43    HG   LEU   4           HG       LEU   4  11.198   1.520   0.217
   44   1HD1  LEU   4          1HD1      LEU   4  11.530   0.576   2.412
   45   2HD1  LEU   4          2HD1      LEU   4  12.489  -0.749   1.754
   46   3HD1  LEU   4          3HD1      LEU   4  10.760  -0.661   1.418
   47   1HD2  LEU   4          1HD2      LEU   4  13.229   2.406   0.770
   48   2HD2  LEU   4          2HD2      LEU   4  13.817   1.375  -0.533
   49   3HD2  LEU   4          3HD2      LEU   4  13.926   0.828   1.139
   50    H    PHE   5           H        PHE   5   9.797   2.569  -1.277
   51    HA   PHE   5           HA       PHE   5   7.832   1.607   0.647
   52   1HB   PHE   5          2HB       PHE   5   9.031   3.773   0.776
   53   2HB   PHE   5          1HB       PHE   5   8.256   4.277  -0.726
   54    HD1  PHE   5           HD1      PHE   5   5.777   4.597  -0.810
   55    HD2  PHE   5           HD2      PHE   5   7.856   3.815   2.867
   56    HE1  PHE   5           HE1      PHE   5   3.806   5.387   0.473
   57    HE2  PHE   5           HE2      PHE   5   5.887   4.606   4.150
   58    HZ   PHE   5           HZ       PHE   5   3.862   5.392   2.952
   59    H    LYS   6           H        LYS   6   7.914   1.598  -2.696
   60    HA   LYS   6           HA       LYS   6   5.037   2.207  -3.079
   61   1HB   LYS   6          2HB       LYS   6   7.493   1.879  -4.732
   62   2HB   LYS   6          1HB       LYS   6   5.960   1.480  -5.509
   63   1HG   LYS   6          2HG       LYS   6   5.612   3.907  -4.030
   64   2HG   LYS   6          1HG       LYS   6   7.057   4.068  -5.029
   65   1HD   LYS   6          2HD       LYS   6   5.522   4.651  -6.626
   66   2HD   LYS   6          1HD       LYS   6   5.406   2.901  -6.819
   67   1HE   LYS   6          2HE       LYS   6   3.597   3.073  -4.917
   68   2HE   LYS   6          1HE       LYS   6   3.509   4.773  -5.420
   69   1HZ   LYS   6          1HZ       LYS   6   3.044   2.348  -7.045
   70   2HZ   LYS   6          2HZ       LYS   6   3.451   3.827  -7.774
   71   3HZ   LYS   6          3HZ       LYS   6   2.034   3.695  -6.847
   72    H    LYS   7           H        LYS   7   6.617  -0.443  -1.958
   73    HA   LYS   7           HA       LYS   7   5.005  -2.367  -3.587
   74   1HB   LYS   7          2HB       LYS   7   6.613  -4.011  -2.887
   75   2HB   LYS   7          1HB       LYS   7   7.526  -2.577  -3.346
   76   1HG   LYS   7          2HG       LYS   7   8.276  -2.234  -1.234
   77   2HG   LYS   7          1HG       LYS   7   6.719  -2.624  -0.509
   78   1HD   LYS   7          2HD       LYS   7   8.171  -4.363   0.204
   79   2HD   LYS   7          1HD       LYS   7   7.241  -5.070  -1.119
   80   1HE   LYS   7          2HE       LYS   7   9.431  -3.844  -2.382
   81   2HE   LYS   7          1HE       LYS   7  10.112  -4.635  -0.947
   82   1HZ   LYS   7          1HZ       LYS   7   9.891  -6.159  -2.858
   83   2HZ   LYS   7          2HZ       LYS   7   8.209  -5.919  -2.835
   84   3HZ   LYS   7          3HZ       LYS   7   8.985  -6.659  -1.515
   85    H    ILE   8           H        ILE   8   4.502  -0.596  -0.942
   86    HA   ILE   8           HA       ILE   8   3.839  -2.458   1.129
   87    HB   ILE   8           HB       ILE   8   3.488   0.375   0.438
   88   1HG1  ILE   8          2HG1      ILE   8   3.790   0.518   2.964
   89   2HG1  ILE   8          1HG1      ILE   8   3.902  -1.242   2.961
   90   1HG2  ILE   8          1HG2      ILE   8   1.647   0.739   2.113
   91   2HG2  ILE   8          2HG2      ILE   8   1.365  -1.002   2.115
   92   3HG2  ILE   8          3HG2      ILE   8   1.108  -0.069   0.640
   93   1HD1  ILE   8          1HD1      ILE   8   6.142  -0.191   2.853
   94   2HD1  ILE   8          2HD1      ILE   8   5.679   0.621   1.358
   95   3HD1  ILE   8          3HD1      ILE   8   5.799  -1.138   1.405
   96    HA   PRO   9           HA       PRO   9   0.207  -4.302  -0.488
   97   1HB   PRO   9          2HB       PRO   9  -1.041  -4.987   1.849
   98   2HB   PRO   9          1HB       PRO   9   0.389  -5.834   1.227
   99   1HG   PRO   9          2HG       PRO   9   0.187  -3.789   3.374
  100   2HG   PRO   9          1HG       PRO   9   1.228  -5.217   3.265
  101   1HD   PRO   9          2HD       PRO   9   2.074  -2.661   2.758
  102   2HD   PRO   9          1HD       PRO   9   2.830  -4.115   2.072
  103    H    LYS  10           H        LYS  10  -0.675  -2.228  -1.339
  104    HA   LYS  10           HA       LYS  10  -2.536  -0.738   0.423
  105   1HB   LYS  10          2HB       LYS  10  -0.927  -0.231  -1.865
  106   2HB   LYS  10          1HB       LYS  10  -2.604  -0.012  -2.370
  107   1HG   LYS  10          2HG       LYS  10  -2.985   1.500  -0.458
  108   2HG   LYS  10          1HG       LYS  10  -1.307   1.288   0.044
  109   1HD   LYS  10          2HD       LYS  10  -0.640   2.133  -2.267
  110   2HD   LYS  10          1HD       LYS  10  -2.329   2.591  -2.490
  111   1HE   LYS  10          2HE       LYS  10  -1.385   4.571  -1.622
  112   2HE   LYS  10          1HE       LYS  10  -2.011   3.791  -0.157
  113   1HZ   LYS  10          1HZ       LYS  10   0.302   2.577  -0.299
  114   2HZ   LYS  10          2HZ       LYS  10   0.145   4.084   0.470
  115   3HZ   LYS  10          3HZ       LYS  10   0.748   3.994  -1.117
  116    H    PHE  11           H        PHE  11  -2.888  -3.625  -0.633
  117    HA   PHE  11           HA       PHE  11  -5.058  -3.638  -2.522
  118   1HB   PHE  11          2HB       PHE  11  -3.836  -5.619  -2.324
  119   2HB   PHE  11          1HB       PHE  11  -3.756  -5.511  -0.567
  120    HD1  PHE  11           HD1      PHE  11  -6.802  -5.132  -2.680
  121    HD2  PHE  11           HD2      PHE  11  -4.632  -7.628   0.060
  122    HE1  PHE  11           HE1      PHE  11  -8.767  -6.635  -2.494
  123    HE2  PHE  11           HE2      PHE  11  -6.594  -9.130   0.247
  124    HZ   PHE  11           HZ       PHE  11  -8.663  -8.635  -1.029
  125    H    LEU  12           H        LEU  12  -5.013  -4.052   1.034
  126    HA   LEU  12           HA       LEU  12  -7.928  -4.001   1.201
  127   1HB   LEU  12          2HB       LEU  12  -7.304  -3.811   3.718
  128   2HB   LEU  12          1HB       LEU  12  -6.845  -5.277   2.859
  129    HG   LEU  12           HG       LEU  12  -4.574  -4.620   2.717
  130   1HD1  LEU  12          1HD1      LEU  12  -4.755  -2.357   1.954
  131   2HD1  LEU  12          2HD1      LEU  12  -3.878  -2.287   3.483
  132   3HD1  LEU  12          3HD1      LEU  12  -5.588  -1.858   3.426
  133   1HD2  LEU  12          1HD2      LEU  12  -4.530  -5.230   4.901
  134   2HD2  LEU  12          2HD2      LEU  12  -5.956  -4.269   5.290
  135   3HD2  LEU  12          3HD2      LEU  12  -4.368  -3.506   5.226
  136    H    HIS  13           H        HIS  13  -5.777  -1.590   0.548
  137    HA   HIS  13           HA       HIS  13  -6.902   0.506   2.280
  138   1HB   HIS  13          2HB       HIS  13  -4.511   0.144   1.144
  139   2HB   HIS  13          1HB       HIS  13  -5.270   1.041  -0.171
  140    HD1  HIS  13           HD1      HIS  13  -5.364   3.533   0.084
  141    HD2  HIS  13           HD2      HIS  13  -4.657   1.626   3.724
  142    HE1  HIS  13           HE1      HIS  13  -4.925   5.363   1.779
  143    H    SER  14           H        SER  14  -7.549  -0.888  -0.841
  144    HA   SER  14           HA       SER  14  -8.966   1.413  -1.936
  145   1HB   SER  14          2HB       SER  14  -8.649   0.130  -3.772
  146   2HB   SER  14          1HB       SER  14  -8.014  -1.154  -2.749
  147    HG   SER  14           HG       SER  14  -9.798  -2.191  -3.092
  148    H    ALA  15           H        ALA  15  -9.690  -1.005   0.347
  149    HA   ALA  15           HA       ALA  15 -12.528  -1.299  -0.094
  150   1HB   ALA  15          1HB       ALA  15 -10.620  -1.692   2.219
  151   2HB   ALA  15          2HB       ALA  15 -11.391  -2.922   1.220
  152   3HB   ALA  15          3HB       ALA  15 -12.346  -2.012   2.390
  153    H    LYS  16           H        LYS  16 -10.599   1.267   1.106
  154    HA   LYS  16           HA       LYS  16 -12.123   2.528   3.079
  155   1HB   LYS  16          2HB       LYS  16  -9.962   3.087   1.443
  156   2HB   LYS  16          1HB       LYS  16 -11.138   4.307   0.950
  157   1HG   LYS  16          2HG       LYS  16 -10.461   3.761   3.850
  158   2HG   LYS  16          1HG       LYS  16  -9.620   4.973   2.882
  159   1HD   LYS  16          2HD       LYS  16 -11.650   6.208   2.517
  160   2HD   LYS  16          1HD       LYS  16 -12.629   4.913   3.209
  161   1HE   LYS  16          2HE       LYS  16 -12.482   6.167   5.126
  162   2HE   LYS  16          1HE       LYS  16 -10.875   5.425   5.265
  163   1HZ   LYS  16          1HZ       LYS  16 -11.256   7.785   3.545
  164   2HZ   LYS  16          2HZ       LYS  16  -9.847   7.241   4.323
  165   3HZ   LYS  16          3HZ       LYS  16 -11.075   7.998   5.218
  166    H    LYS  17           H        LYS  17 -12.745   2.353  -0.406
  167    HA   LYS  17           HA       LYS  17 -14.786   4.336  -0.607
  168   1HB   LYS  17          2HB       LYS  17 -15.253   3.252  -2.698
  169   2HB   LYS  17          1HB       LYS  17 -13.526   3.033  -2.417
  170   1HG   LYS  17          2HG       LYS  17 -13.846   0.775  -1.663
  171   2HG   LYS  17          1HG       LYS  17 -15.597   0.977  -1.606
  172   1HD   LYS  17          2HD       LYS  17 -15.752   0.328  -3.749
  173   2HD   LYS  17          1HD       LYS  17 -14.707   1.664  -4.237
  174   1HE   LYS  17          2HE       LYS  17 -12.818   0.335  -4.309
  175   2HE   LYS  17          1HE       LYS  17 -13.388  -0.720  -2.999
  176   1HZ   LYS  17          1HZ       LYS  17 -15.060  -1.621  -4.475
  177   2HZ   LYS  17          2HZ       LYS  17 -13.522  -1.823  -5.168
  178   3HZ   LYS  17          3HZ       LYS  17 -14.557  -0.596  -5.730
  179    H    PHE  18           H        PHE  18 -14.820   1.084   0.695
  180    HA   PHE  18           HA       PHE  18 -17.789   1.295   1.081
  181   1HB   PHE  18          2HB       PHE  18 -16.566  -0.553  -0.360
  182   2HB   PHE  18          1HB       PHE  18 -16.233  -1.271   1.216
  183    HD1  PHE  18           HD1      PHE  18 -17.797  -2.798   2.023
  184    HD2  PHE  18           HD2      PHE  18 -19.102   0.360  -0.581
  185    HE1  PHE  18           HE1      PHE  18 -20.109  -3.691   2.102
  186    HE2  PHE  18           HE2      PHE  18 -21.415  -0.533  -0.502
  187    HZ   PHE  18           HZ       PHE  18 -21.919  -2.558   0.838
  188   1HN   NH2  19          1HN       NH2  19 -14.690   0.390   2.643
  189   2HN   NH2  19          2HN       NH2  19 -15.289   0.419   4.232
  Start of MODEL   18
    1   1H    LYS   1          1H        LYS   1   8.280   4.327 -10.463
    2   2H    LYS   1          2H        LYS   1   8.397   2.660 -10.157
    3   3H    LYS   1          3H        LYS   1   9.782   3.642 -10.075
    4    HA   LYS   1           HA       LYS   1   8.885   4.808  -8.153
    5   1HB   LYS   1          2HB       LYS   1   6.553   3.176  -9.058
    6   2HB   LYS   1          1HB       LYS   1   6.705   3.481  -7.328
    7   1HG   LYS   1          2HG       LYS   1   5.535   5.377  -7.923
    8   2HG   LYS   1          1HG       LYS   1   7.175   5.968  -8.196
    9   1HD   LYS   1          2HD       LYS   1   6.767   6.226 -10.392
   10   2HD   LYS   1          1HD       LYS   1   6.254   4.544 -10.529
   11   1HE   LYS   1          2HE       LYS   1   4.536   6.925  -9.751
   12   2HE   LYS   1          1HE       LYS   1   4.347   5.871 -11.167
   13   1HZ   LYS   1          1HZ       LYS   1   4.393   4.058  -9.243
   14   2HZ   LYS   1          2HZ       LYS   1   2.951   4.781  -9.778
   15   3HZ   LYS   1          3HZ       LYS   1   3.715   5.345  -8.369
   16    H    TRP   2           H        TRP   2  10.063   4.043  -6.443
   17    HA   TRP   2           HA       TRP   2  10.176   1.076  -6.015
   18   1HB   TRP   2          2HB       TRP   2  12.547   1.283  -5.687
   19   2HB   TRP   2          1HB       TRP   2  12.170   2.182  -7.157
   20    HD1  TRP   2           HD1      TRP   2  11.681   4.925  -6.686
   21    HE1  TRP   2           HE1      TRP   2  13.026   6.511  -5.163
   22    HE3  TRP   2           HE3      TRP   2  14.004   1.507  -3.687
   23    HZ2  TRP   2           HZ2      TRP   2  14.849   6.351  -2.964
   24    HZ3  TRP   2           HZ3      TRP   2  15.538   2.249  -1.889
   25    HH2  TRP   2           HH2      TRP   2  15.964   4.665  -1.524
   26    H    LYS   3           H        LYS   3   9.734   4.218  -4.641
   27    HA   LYS   3           HA       LYS   3  10.450   3.550  -1.908
   28   1HB   LYS   3          2HB       LYS   3   8.943   5.739  -3.329
   29   2HB   LYS   3          1HB       LYS   3   9.015   5.699  -1.567
   30   1HG   LYS   3          2HG       LYS   3  11.644   5.268  -2.254
   31   2HG   LYS   3          1HG       LYS   3  11.114   6.385  -3.512
   32   1HD   LYS   3          2HD       LYS   3  11.929   7.693  -1.643
   33   2HD   LYS   3          1HD       LYS   3  10.174   7.862  -1.705
   34   1HE   LYS   3          2HE       LYS   3   9.935   6.132   0.046
   35   2HE   LYS   3          1HE       LYS   3  11.701   5.962   0.113
   36   1HZ   LYS   3          1HZ       LYS   3  10.864   7.550   1.774
   37   2HZ   LYS   3          2HZ       LYS   3  10.219   8.505   0.525
   38   3HZ   LYS   3          3HZ       LYS   3  11.900   8.288   0.652
   39    H    LEU   4           H        LEU   4   7.779   2.836  -3.903
   40    HA   LEU   4           HA       LEU   4   5.811   2.599  -1.723
   41   1HB   LEU   4          2HB       LEU   4   5.850   1.889  -4.672
   42   2HB   LEU   4          1HB       LEU   4   4.433   1.688  -3.642
   43    HG   LEU   4           HG       LEU   4   5.680   4.343  -3.428
   44   1HD1  LEU   4          1HD1      LEU   4   4.690   3.269  -6.061
   45   2HD1  LEU   4          2HD1      LEU   4   6.108   4.266  -5.737
   46   3HD1  LEU   4          3HD1      LEU   4   4.495   4.976  -5.665
   47   1HD2  LEU   4          1HD2      LEU   4   3.007   4.523  -4.244
   48   2HD2  LEU   4          2HD2      LEU   4   3.596   4.571  -2.582
   49   3HD2  LEU   4          3HD2      LEU   4   3.076   3.041  -3.289
   50    H    PHE   5           H        PHE   5   8.429   0.784  -2.635
   51    HA   PHE   5           HA       PHE   5   7.434  -1.894  -2.727
   52   1HB   PHE   5          2HB       PHE   5   9.932  -0.435  -2.570
   53   2HB   PHE   5          1HB       PHE   5   9.992  -1.879  -1.559
   54    HD1  PHE   5           HD1      PHE   5  10.851  -3.761  -2.622
   55    HD2  PHE   5           HD2      PHE   5   8.535  -0.948  -4.895
   56    HE1  PHE   5           HE1      PHE   5  11.140  -5.162  -4.649
   57    HE2  PHE   5           HE2      PHE   5   8.823  -2.348  -6.921
   58    HZ   PHE   5           HZ       PHE   5  10.125  -4.455  -6.800
   59    H    LYS   6           H        LYS   6   7.919   0.315  -0.127
   60    HA   LYS   6           HA       LYS   6   7.993  -1.698   1.998
   61   1HB   LYS   6          2HB       LYS   6   8.194   1.210   1.633
   62   2HB   LYS   6          1HB       LYS   6   7.361   0.753   3.119
   63   1HG   LYS   6          2HG       LYS   6   9.314   0.181   4.077
   64   2HG   LYS   6          1HG       LYS   6   9.653  -0.948   2.765
   65   1HD   LYS   6          2HD       LYS   6  11.174   0.449   1.869
   66   2HD   LYS   6          1HD       LYS   6  10.019   1.783   1.870
   67   1HE   LYS   6          2HE       LYS   6  10.682   2.530   3.992
   68   2HE   LYS   6          1HE       LYS   6  11.341   0.946   4.449
   69   1HZ   LYS   6          1HZ       LYS   6  12.879   1.302   2.445
   70   2HZ   LYS   6          2HZ       LYS   6  13.225   2.148   3.877
   71   3HZ   LYS   6          3HZ       LYS   6  12.462   2.939   2.582
   72    H    LYS   7           H        LYS   7   5.539  -0.462   0.035
   73    HA   LYS   7           HA       LYS   7   3.462  -1.484   1.900
   74   1HB   LYS   7          2HB       LYS   7   2.188   0.620   1.633
   75   2HB   LYS   7          1HB       LYS   7   3.754   0.906   2.393
   76   1HG   LYS   7          2HG       LYS   7   4.644   1.404   0.050
   77   2HG   LYS   7          1HG       LYS   7   2.961   1.437  -0.477
   78   1HD   LYS   7          2HD       LYS   7   3.390   3.691   0.026
   79   2HD   LYS   7          1HD       LYS   7   2.620   3.101   1.500
   80   1HE   LYS   7          2HE       LYS   7   4.542   3.305   2.731
   81   2HE   LYS   7          1HE       LYS   7   5.573   2.775   1.385
   82   1HZ   LYS   7          1HZ       LYS   7   4.151   5.381   1.446
   83   2HZ   LYS   7          2HZ       LYS   7   5.314   4.870   0.318
   84   3HZ   LYS   7          3HZ       LYS   7   5.767   5.189   1.924
   85    H    ILE   8           H        ILE   8   4.421  -2.575  -0.532
   86    HA   ILE   8           HA       ILE   8   2.908  -1.833  -2.843
   87    HB   ILE   8           HB       ILE   8   4.108  -4.485  -1.991
   88   1HG1  ILE   8          2HG1      ILE   8   5.369  -2.533  -3.887
   89   2HG1  ILE   8          1HG1      ILE   8   5.500  -2.241  -2.152
   90   1HG2  ILE   8          1HG2      ILE   8   4.309  -4.301  -4.724
   91   2HG2  ILE   8          2HG2      ILE   8   2.734  -3.561  -4.426
   92   3HG2  ILE   8          3HG2      ILE   8   3.057  -5.205  -3.870
   93   1HD1  ILE   8          1HD1      ILE   8   6.885  -4.026  -1.822
   94   2HD1  ILE   8          2HD1      ILE   8   7.235  -3.807  -3.536
   95   3HD1  ILE   8          3HD1      ILE   8   6.058  -5.017  -3.024
   96    HA   PRO   9           HA       PRO   9  -0.159  -5.279  -1.510
   97   1HB   PRO   9          2HB       PRO   9  -0.180  -6.001   1.130
   98   2HB   PRO   9          1HB       PRO   9   0.811  -6.824  -0.092
   99   1HG   PRO   9          2HG       PRO   9   1.598  -4.785   1.924
  100   2HG   PRO   9          1HG       PRO   9   2.482  -6.207   1.351
  101   1HD   PRO   9          2HD       PRO   9   3.009  -3.665   0.527
  102   2HD   PRO   9          1HD       PRO   9   3.341  -5.107  -0.454
  103    H    LYS  10           H        LYS  10  -0.555  -2.582  -1.564
  104    HA   LYS  10           HA       LYS  10  -2.046  -1.753   0.863
  105   1HB   LYS  10          2HB       LYS  10  -0.491  -0.496  -1.072
  106   2HB   LYS  10          1HB       LYS  10  -2.137  -0.059  -1.534
  107   1HG   LYS  10          2HG       LYS  10  -2.586   0.778   0.715
  108   2HG   LYS  10          1HG       LYS  10  -0.990   0.257   1.256
  109   1HD   LYS  10          2HD       LYS  10   0.112   1.925   0.061
  110   2HD   LYS  10          1HD       LYS  10  -1.204   2.102  -1.100
  111   1HE   LYS  10          2HE       LYS  10  -2.082   3.785   0.131
  112   2HE   LYS  10          1HE       LYS  10  -2.190   2.713   1.542
  113   1HZ   LYS  10          1HZ       LYS  10   0.105   3.114   2.040
  114   2HZ   LYS  10          2HZ       LYS  10  -0.672   4.618   1.890
  115   3HZ   LYS  10          3HZ       LYS  10   0.309   4.036   0.631
  116    H    PHE  11           H        PHE  11  -2.863  -3.966  -1.078
  117    HA   PHE  11           HA       PHE  11  -5.062  -3.166  -2.687
  118   1HB   PHE  11          2HB       PHE  11  -5.166  -5.434  -3.044
  119   2HB   PHE  11          1HB       PHE  11  -3.630  -5.422  -2.181
  120    HD1  PHE  11           HD1      PHE  11  -7.108  -6.460  -2.104
  121    HD2  PHE  11           HD2      PHE  11  -3.597  -5.884   0.300
  122    HE1  PHE  11           HE1      PHE  11  -8.094  -7.880  -0.325
  123    HE2  PHE  11           HE2      PHE  11  -4.581  -7.303   2.079
  124    HZ   PHE  11           HZ       PHE  11  -6.831  -8.301   1.766
  125    H    LEU  12           H        LEU  12  -4.855  -3.914   0.763
  126    HA   LEU  12           HA       LEU  12  -7.715  -3.978   1.212
  127   1HB   LEU  12          2HB       LEU  12  -6.938  -3.732   3.635
  128   2HB   LEU  12          1HB       LEU  12  -6.289  -5.110   2.755
  129    HG   LEU  12           HG       LEU  12  -4.176  -3.953   2.396
  130   1HD1  LEU  12          1HD1      LEU  12  -3.960  -1.680   3.684
  131   2HD1  LEU  12          2HD1      LEU  12  -5.710  -1.610   3.489
  132   3HD1  LEU  12          3HD1      LEU  12  -4.668  -1.687   2.070
  133   1HD2  LEU  12          1HD2      LEU  12  -3.663  -3.400   4.902
  134   2HD2  LEU  12          2HD2      LEU  12  -4.102  -5.050   4.458
  135   3HD2  LEU  12          3HD2      LEU  12  -5.306  -3.983   5.178
  136    H    HIS  13           H        HIS  13  -5.801  -1.428   0.303
  137    HA   HIS  13           HA       HIS  13  -6.825   0.638   2.084
  138   1HB   HIS  13          2HB       HIS  13  -5.384   2.003   0.859
  139   2HB   HIS  13          1HB       HIS  13  -4.661   0.426   0.559
  140    HD1  HIS  13           HD1      HIS  13  -5.677   3.332  -1.220
  141    HD2  HIS  13           HD2      HIS  13  -5.997  -0.755  -1.976
  142    HE1  HIS  13           HE1      HIS  13  -6.086   3.094  -3.708
  143    H    SER  14           H        SER  14  -7.794  -0.740  -1.019
  144    HA   SER  14           HA       SER  14  -9.638   1.335  -1.780
  145   1HB   SER  14          2HB       SER  14  -8.797  -1.337  -2.603
  146   2HB   SER  14          1HB       SER  14 -10.517  -1.072  -2.877
  147    HG   SER  14           HG       SER  14  -8.305   0.413  -3.835
  148    H    ALA  15           H        ALA  15  -9.769  -1.045   0.654
  149    HA   ALA  15           HA       ALA  15 -12.519  -1.738   0.756
  150   1HB   ALA  15          1HB       ALA  15 -11.967  -2.523   2.891
  151   2HB   ALA  15          2HB       ALA  15 -10.899  -1.158   3.222
  152   3HB   ALA  15          3HB       ALA  15 -10.378  -2.441   2.130
  153    H    LYS  16           H        LYS  16 -10.831   1.190   1.780
  154    HA   LYS  16           HA       LYS  16 -12.920   2.353   3.360
  155   1HB   LYS  16          2HB       LYS  16 -10.314   2.918   2.550
  156   2HB   LYS  16          1HB       LYS  16 -11.263   4.210   1.816
  157   1HG   LYS  16          2HG       LYS  16 -12.395   4.283   4.218
  158   2HG   LYS  16          1HG       LYS  16 -10.864   3.561   4.710
  159   1HD   LYS  16          2HD       LYS  16  -9.641   5.411   3.622
  160   2HD   LYS  16          1HD       LYS  16 -11.175   6.140   3.144
  161   1HE   LYS  16          2HE       LYS  16 -11.112   7.246   5.130
  162   2HE   LYS  16          1HE       LYS  16 -11.453   5.683   5.900
  163   1HZ   LYS  16          1HZ       LYS  16  -9.271   6.965   6.480
  164   2HZ   LYS  16          2HZ       LYS  16  -8.711   6.281   5.029
  165   3HZ   LYS  16          3HZ       LYS  16  -9.245   5.279   6.293
  166    H    LYS  17           H        LYS  17 -12.090   2.725  -0.102
  167    HA   LYS  17           HA       LYS  17 -14.470   4.389  -0.588
  168   1HB   LYS  17          2HB       LYS  17 -13.534   4.493  -2.843
  169   2HB   LYS  17          1HB       LYS  17 -12.232   4.703  -1.672
  170   1HG   LYS  17          2HG       LYS  17 -11.701   2.277  -1.869
  171   2HG   LYS  17          1HG       LYS  17 -12.948   2.129  -3.107
  172   1HD   LYS  17          2HD       LYS  17 -10.903   2.415  -4.301
  173   2HD   LYS  17          1HD       LYS  17 -11.708   3.983  -4.367
  174   1HE   LYS  17          2HE       LYS  17 -10.330   4.397  -2.118
  175   2HE   LYS  17          1HE       LYS  17  -9.260   3.181  -2.845
  176   1HZ   LYS  17          1HZ       LYS  17 -10.314   5.552  -4.290
  177   2HZ   LYS  17          2HZ       LYS  17  -9.165   4.437  -4.859
  178   3HZ   LYS  17          3HZ       LYS  17  -8.775   5.487  -3.581
  179    H    PHE  18           H        PHE  18 -14.209   1.202  -0.005
  180    HA   PHE  18           HA       PHE  18 -16.343   0.499  -1.994
  181   1HB   PHE  18          2HB       PHE  18 -14.036  -0.434  -2.456
  182   2HB   PHE  18          1HB       PHE  18 -14.152  -1.306  -0.927
  183    HD1  PHE  18           HD1      PHE  18 -16.800  -0.611  -3.471
  184    HD2  PHE  18           HD2      PHE  18 -14.373  -3.574  -1.527
  185    HE1  PHE  18           HE1      PHE  18 -18.093  -2.406  -4.590
  186    HE2  PHE  18           HE2      PHE  18 -15.666  -5.369  -2.645
  187    HZ   PHE  18           HZ       PHE  18 -17.528  -4.785  -4.176
  188   1HN   NH2  19          1HN       NH2  19 -16.363   1.338   0.998
  189   2HN   NH2  19          2HN       NH2  19 -17.197   0.079   1.773
  Start of MODEL   19
    1   1H    LYS   1          1H        LYS   1  13.062   2.296   0.924
    2   2H    LYS   1          2H        LYS   1  12.301   1.905   2.393
    3   3H    LYS   1          3H        LYS   1  11.836   3.295   1.534
    4    HA   LYS   1           HA       LYS   1  11.601   0.644   0.261
    5   1HB   LYS   1          2HB       LYS   1   9.266   0.642   1.277
    6   2HB   LYS   1          1HB       LYS   1  10.577   0.349   2.419
    7   1HG   LYS   1          2HG       LYS   1  10.523   2.668   3.154
    8   2HG   LYS   1          1HG       LYS   1   9.320   3.063   1.925
    9   1HD   LYS   1          2HD       LYS   1   7.643   2.364   3.256
   10   2HD   LYS   1          1HD       LYS   1   8.430   0.805   3.499
   11   1HE   LYS   1          2HE       LYS   1   9.255   3.311   5.001
   12   2HE   LYS   1          1HE       LYS   1   8.083   2.140   5.634
   13   1HZ   LYS   1          1HZ       LYS   1   9.990   1.186   6.395
   14   2HZ   LYS   1          2HZ       LYS   1  10.950   1.815   5.143
   15   3HZ   LYS   1          3HZ       LYS   1   9.951   0.470   4.857
   16    H    TRP   2           H        TRP   2  11.132   1.191  -1.823
   17    HA   TRP   2           HA       TRP   2   9.223   3.425  -2.321
   18   1HB   TRP   2          2HB       TRP   2  10.851   4.074  -4.212
   19   2HB   TRP   2          1HB       TRP   2  11.351   4.447  -2.565
   20    HD1  TRP   2           HD1      TRP   2  11.510   0.873  -3.893
   21    HE1  TRP   2           HE1      TRP   2  13.976   0.146  -4.029
   22    HE3  TRP   2           HE3      TRP   2  13.801   5.319  -2.857
   23    HZ2  TRP   2           HZ2      TRP   2  16.580   1.297  -3.745
   24    HZ3  TRP   2           HZ3      TRP   2  16.273   5.474  -2.798
   25    HH2  TRP   2           HH2      TRP   2  17.665   3.470  -3.239
   26    H    LYS   3           H        LYS   3  10.654   2.552  -5.203
   27    HA   LYS   3           HA       LYS   3   8.463   1.502  -6.489
   28   1HB   LYS   3          2HB       LYS   3  11.410   0.909  -6.796
   29   2HB   LYS   3          1HB       LYS   3  10.204   0.431  -7.991
   30   1HG   LYS   3          2HG       LYS   3   9.547   2.746  -8.334
   31   2HG   LYS   3          1HG       LYS   3  10.603   3.278  -7.027
   32   1HD   LYS   3          2HD       LYS   3  11.392   2.161  -9.723
   33   2HD   LYS   3          1HD       LYS   3  11.825   3.719  -9.021
   34   1HE   LYS   3          2HE       LYS   3  12.871   2.127  -7.122
   35   2HE   LYS   3          1HE       LYS   3  13.001   1.028  -8.508
   36   1HZ   LYS   3          1HZ       LYS   3  14.820   2.857  -8.069
   37   2HZ   LYS   3          2HZ       LYS   3  13.713   3.843  -8.899
   38   3HZ   LYS   3          3HZ       LYS   3  14.348   2.455  -9.647
   39    H    LEU   4           H        LEU   4  10.851  -0.973  -6.433
   40    HA   LEU   4           HA       LEU   4   9.192  -3.157  -6.250
   41   1HB   LEU   4          2HB       LEU   4  11.167  -4.388  -5.655
   42   2HB   LEU   4          1HB       LEU   4  11.686  -3.026  -6.650
   43    HG   LEU   4           HG       LEU   4  11.732  -1.915  -4.148
   44   1HD1  LEU   4          1HD1      LEU   4  13.249  -4.211  -3.360
   45   2HD1  LEU   4          2HD1      LEU   4  11.618  -4.741  -3.774
   46   3HD1  LEU   4          3HD1      LEU   4  11.855  -3.493  -2.551
   47   1HD2  LEU   4          1HD2      LEU   4  13.480  -2.206  -6.137
   48   2HD2  LEU   4          2HD2      LEU   4  14.142  -3.440  -5.063
   49   3HD2  LEU   4          3HD2      LEU   4  14.018  -1.768  -4.515
   50    H    PHE   5           H        PHE   5   9.913  -1.025  -3.615
   51    HA   PHE   5           HA       PHE   5   9.194  -2.937  -1.515
   52   1HB   PHE   5          2HB       PHE   5  10.442  -0.435  -1.777
   53   2HB   PHE   5          1HB       PHE   5   8.991  -0.128  -0.825
   54    HD1  PHE   5           HD1      PHE   5   8.599  -1.439   1.295
   55    HD2  PHE   5           HD2      PHE   5  12.292  -1.655  -0.890
   56    HE1  PHE   5           HE1      PHE   5   9.718  -2.426   3.278
   57    HE2  PHE   5           HE2      PHE   5  13.407  -2.641   1.090
   58    HZ   PHE   5           HZ       PHE   5  12.122  -3.027   3.175
   59    H    LYS   6           H        LYS   6   7.544  -0.969  -3.732
   60    HA   LYS   6           HA       LYS   6   5.137  -0.451  -2.177
   61   1HB   LYS   6          2HB       LYS   6   5.782   1.042  -3.937
   62   2HB   LYS   6          1HB       LYS   6   5.974  -0.280  -5.083
   63   1HG   LYS   6          2HG       LYS   6   3.373  -0.631  -4.423
   64   2HG   LYS   6          1HG       LYS   6   3.509   1.109  -4.187
   65   1HD   LYS   6          2HD       LYS   6   2.867   0.717  -6.486
   66   2HD   LYS   6          1HD       LYS   6   4.543   1.266  -6.474
   67   1HE   LYS   6          2HE       LYS   6   5.192  -1.233  -6.453
   68   2HE   LYS   6          1HE       LYS   6   3.505  -1.544  -6.906
   69   1HZ   LYS   6          1HZ       LYS   6   4.921  -1.224  -8.863
   70   2HZ   LYS   6          2HZ       LYS   6   5.340   0.327  -8.309
   71   3HZ   LYS   6          3HZ       LYS   6   3.734  -0.016  -8.746
   72    H    LYS   7           H        LYS   7   6.396  -3.173  -3.894
   73    HA   LYS   7           HA       LYS   7   4.212  -4.464  -5.022
   74   1HB   LYS   7          2HB       LYS   7   5.466  -6.445  -4.712
   75   2HB   LYS   7          1HB       LYS   7   6.687  -5.177  -4.671
   76   1HG   LYS   7          2HG       LYS   7   6.946  -5.330  -2.334
   77   2HG   LYS   7          1HG       LYS   7   5.394  -6.137  -2.118
   78   1HD   LYS   7          2HD       LYS   7   7.399  -7.659  -1.903
   79   2HD   LYS   7          1HD       LYS   7   6.218  -8.169  -3.108
   80   1HE   LYS   7          2HE       LYS   7   8.255  -6.346  -4.200
   81   2HE   LYS   7          1HE       LYS   7   8.921  -7.876  -3.596
   82   1HZ   LYS   7          1HZ       LYS   7   7.733  -7.624  -5.982
   83   2HZ   LYS   7          2HZ       LYS   7   6.407  -8.091  -5.026
   84   3HZ   LYS   7          3HZ       LYS   7   7.791  -9.075  -5.107
   85    H    ILE   8           H        ILE   8   4.697  -3.727  -1.644
   86    HA   ILE   8           HA       ILE   8   3.198  -5.551  -0.215
   87    HB   ILE   8           HB       ILE   8   4.334  -3.383   0.500
   88   1HG1  ILE   8          2HG1      ILE   8   2.417  -2.885   2.231
   89   2HG1  ILE   8          1HG1      ILE   8   1.646  -4.289   1.496
   90   1HG2  ILE   8          1HG2      ILE   8   1.637  -2.210  -0.242
   91   2HG2  ILE   8          2HG2      ILE   8   3.114  -1.975  -1.178
   92   3HG2  ILE   8          3HG2      ILE   8   3.003  -1.348   0.467
   93   1HD1  ILE   8          1HD1      ILE   8   3.871  -5.513   1.867
   94   2HD1  ILE   8          2HD1      ILE   8   2.921  -5.160   3.311
   95   3HD1  ILE   8          3HD1      ILE   8   4.316  -4.157   2.904
   96    HA   PRO   9           HA       PRO   9  -0.795  -5.595  -2.107
   97   1HB   PRO   9          2HB       PRO   9  -2.212  -6.588   0.024
   98   2HB   PRO   9          1HB       PRO   9  -1.173  -7.590  -1.011
   99   1HG   PRO   9          2HG       PRO   9  -0.577  -6.375   1.652
  100   2HG   PRO   9          1HG       PRO   9  -0.214  -8.003   1.052
  101   1HD   PRO   9          2HD       PRO   9   1.668  -6.093   1.129
  102   2HD   PRO   9          1HD       PRO   9   1.609  -7.287  -0.188
  103    H    LYS  10           H        LYS  10  -1.018  -3.276  -2.243
  104    HA   LYS  10           HA       LYS  10  -2.046  -1.748   0.050
  105   1HB   LYS  10          2HB       LYS  10  -0.645  -1.239  -2.289
  106   2HB   LYS  10          1HB       LYS  10  -2.255  -0.624  -2.665
  107   1HG   LYS  10          2HG       LYS  10  -2.221   0.909  -0.875
  108   2HG   LYS  10          1HG       LYS  10  -0.910   0.061  -0.057
  109   1HD   LYS  10          2HD       LYS  10  -0.053   2.108  -1.099
  110   2HD   LYS  10          1HD       LYS  10   0.628   0.693  -1.901
  111   1HE   LYS  10          2HE       LYS  10  -1.682   1.118  -3.359
  112   2HE   LYS  10          1HE       LYS  10  -1.151   2.771  -2.988
  113   1HZ   LYS  10          1HZ       LYS  10   0.872   0.796  -3.763
  114   2HZ   LYS  10          2HZ       LYS  10   0.849   2.474  -4.020
  115   3HZ   LYS  10          3HZ       LYS  10  -0.104   1.451  -4.985
  116    H    PHE  11           H        PHE  11  -3.437  -4.060  -1.735
  117    HA   PHE  11           HA       PHE  11  -5.826  -2.967  -2.836
  118   1HB   PHE  11          2HB       PHE  11  -4.572  -5.330  -2.829
  119   2HB   PHE  11          1HB       PHE  11  -5.744  -5.666  -1.555
  120    HD1  PHE  11           HD1      PHE  11  -7.829  -3.634  -2.792
  121    HD2  PHE  11           HD2      PHE  11  -5.609  -6.964  -4.351
  122    HE1  PHE  11           HE1      PHE  11  -9.582  -4.000  -4.508
  123    HE2  PHE  11           HE2      PHE  11  -7.361  -7.328  -6.069
  124    HZ   PHE  11           HZ       PHE  11  -9.348  -5.845  -6.146
  125    H    LEU  12           H        LEU  12  -5.072  -4.194   0.423
  126    HA   LEU  12           HA       LEU  12  -7.692  -4.135   1.514
  127   1HB   LEU  12          2HB       LEU  12  -4.995  -3.585   2.792
  128   2HB   LEU  12          1HB       LEU  12  -6.456  -4.061   3.659
  129    HG   LEU  12           HG       LEU  12  -6.253  -5.976   1.660
  130   1HD1  LEU  12          1HD1      LEU  12  -3.621  -4.835   2.213
  131   2HD1  LEU  12          2HD1      LEU  12  -4.108  -5.965   0.950
  132   3HD1  LEU  12          3HD1      LEU  12  -3.683  -6.564   2.552
  133   1HD2  LEU  12          1HD2      LEU  12  -5.391  -7.412   3.607
  134   2HD2  LEU  12          2HD2      LEU  12  -6.903  -6.548   3.885
  135   3HD2  LEU  12          3HD2      LEU  12  -5.397  -5.930   4.563
  136    H    HIS  13           H        HIS  13  -5.508  -1.511   0.738
  137    HA   HIS  13           HA       HIS  13  -6.708   0.447   2.524
  138   1HB   HIS  13          2HB       HIS  13  -4.394   0.352   1.278
  139   2HB   HIS  13          1HB       HIS  13  -5.290   1.102  -0.047
  140    HD1  HIS  13           HD1      HIS  13  -3.084   2.644   1.586
  141    HD2  HIS  13           HD2      HIS  13  -7.182   2.855   2.326
  142    HE1  HIS  13           HE1      HIS  13  -3.480   4.827   2.812
  143    H    SER  14           H        SER  14  -7.386  -0.703  -0.742
  144    HA   SER  14           HA       SER  14  -9.068   1.485  -1.569
  145   1HB   SER  14          2HB       SER  14  -9.716  -1.187  -2.600
  146   2HB   SER  14          1HB       SER  14  -9.148   0.234  -3.467
  147    HG   SER  14           HG       SER  14  -7.732  -1.768  -3.188
  148    H    ALA  15           H        ALA  15  -9.492  -0.817   0.846
  149    HA   ALA  15           HA       ALA  15 -12.213  -1.571   0.692
  150   1HB   ALA  15          1HB       ALA  15 -10.183  -2.070   2.340
  151   2HB   ALA  15          2HB       ALA  15 -11.849  -2.254   2.887
  152   3HB   ALA  15          3HB       ALA  15 -10.944  -0.797   3.296
  153    H    LYS  16           H        LYS  16 -10.725   1.452   1.815
  154    HA   LYS  16           HA       LYS  16 -12.837   2.717   3.135
  155   1HB   LYS  16          2HB       LYS  16 -10.378   3.369   1.878
  156   2HB   LYS  16          1HB       LYS  16 -11.569   4.514   1.262
  157   1HG   LYS  16          2HG       LYS  16 -10.953   3.943   4.176
  158   2HG   LYS  16          1HG       LYS  16 -10.580   5.424   3.292
  159   1HD   LYS  16          2HD       LYS  16 -13.346   4.923   2.911
  160   2HD   LYS  16          1HD       LYS  16 -13.021   4.710   4.632
  161   1HE   LYS  16          2HE       LYS  16 -11.553   7.005   3.817
  162   2HE   LYS  16          1HE       LYS  16 -13.190   7.172   3.155
  163   1HZ   LYS  16          1HZ       LYS  16 -12.604   6.351   5.947
  164   2HZ   LYS  16          2HZ       LYS  16 -14.129   6.701   5.284
  165   3HZ   LYS  16          3HZ       LYS  16 -12.984   7.940   5.493
  166    H    LYS  17           H        LYS  17 -12.306   2.506  -0.395
  167    HA   LYS  17           HA       LYS  17 -14.534   4.076  -1.225
  168   1HB   LYS  17          2HB       LYS  17 -12.438   2.759  -2.376
  169   2HB   LYS  17          1HB       LYS  17 -13.777   1.708  -2.839
  170   1HG   LYS  17          2HG       LYS  17 -13.398   3.476  -4.529
  171   2HG   LYS  17          1HG       LYS  17 -14.986   3.637  -3.775
  172   1HD   LYS  17          2HD       LYS  17 -14.474   5.698  -3.044
  173   2HD   LYS  17          1HD       LYS  17 -13.042   5.080  -2.218
  174   1HE   LYS  17          2HE       LYS  17 -11.771   5.204  -4.356
  175   2HE   LYS  17          1HE       LYS  17 -13.204   5.897  -5.143
  176   1HZ   LYS  17          1HZ       LYS  17 -13.073   7.399  -2.959
  177   2HZ   LYS  17          2HZ       LYS  17 -12.308   7.824  -4.415
  178   3HZ   LYS  17          3HZ       LYS  17 -11.421   7.081  -3.171
  179    H    PHE  18           H        PHE  18 -14.270   0.591  -0.499
  180    HA   PHE  18           HA       PHE  18 -17.150   0.195  -1.086
  181   1HB   PHE  18          2HB       PHE  18 -14.749  -1.321  -1.176
  182   2HB   PHE  18          1HB       PHE  18 -15.780  -2.082   0.038
  183    HD1  PHE  18           HD1      PHE  18 -14.940  -2.634  -3.129
  184    HD2  PHE  18           HD2      PHE  18 -18.473  -1.548  -0.941
  185    HE1  PHE  18           HE1      PHE  18 -16.350  -3.607  -4.922
  186    HE2  PHE  18           HE2      PHE  18 -19.882  -2.519  -2.732
  187    HZ   PHE  18           HZ       PHE  18 -18.822  -3.550  -4.723
  188   1HN   NH2  19          1HN       NH2  19 -15.920   1.701   1.419
  189   2HN   NH2  19          2HN       NH2  19 -16.730   0.981   2.724
  Start of MODEL   20
    1   1H    LYS   1          1H        LYS   1  16.709  -6.424   1.642
    2   2H    LYS   1          2H        LYS   1  16.218  -7.730   2.610
    3   3H    LYS   1          3H        LYS   1  15.298  -6.301   2.575
    4    HA   LYS   1           HA       LYS   1  15.629  -7.375  -0.055
    5   1HB   LYS   1          2HB       LYS   1  15.761  -9.359   1.676
    6   2HB   LYS   1          1HB       LYS   1  14.026  -9.082   1.837
    7   1HG   LYS   1          2HG       LYS   1  13.683 -10.243  -0.056
    8   2HG   LYS   1          1HG       LYS   1  14.619  -9.038  -0.941
    9   1HD   LYS   1          2HD       LYS   1  15.825 -11.394   0.539
   10   2HD   LYS   1          1HD       LYS   1  15.532 -11.351  -1.199
   11   1HE   LYS   1          2HE       LYS   1  17.280  -9.369   0.303
   12   2HE   LYS   1          1HE       LYS   1  17.882 -10.726  -0.672
   13   1HZ   LYS   1          1HZ       LYS   1  17.807  -8.930  -2.152
   14   2HZ   LYS   1          2HZ       LYS   1  16.310  -8.381  -1.565
   15   3HZ   LYS   1          3HZ       LYS   1  16.393  -9.804  -2.489
   16    H    TRP   2           H        TRP   2  14.024  -6.258  -1.108
   17    HA   TRP   2           HA       TRP   2  11.460  -5.768   0.348
   18   1HB   TRP   2          2HB       TRP   2  11.634  -3.421  -0.771
   19   2HB   TRP   2          1HB       TRP   2  12.602  -3.734   0.667
   20    HD1  TRP   2           HD1      TRP   2  13.096  -4.240  -3.157
   21    HE1  TRP   2           HE1      TRP   2  15.499  -3.511  -3.743
   22    HE3  TRP   2           HE3      TRP   2  14.765  -2.900   1.478
   23    HZ2  TRP   2           HZ2      TRP   2  17.821  -2.494  -2.420
   24    HZ3  TRP   2           HZ3      TRP   2  17.073  -2.054   1.787
   25    HH2  TRP   2           HH2      TRP   2  18.602  -1.848  -0.154
   26    H    LYS   3           H        LYS   3  12.771  -7.218  -2.250
   27    HA   LYS   3           HA       LYS   3  11.181  -6.176  -4.430
   28   1HB   LYS   3          2HB       LYS   3  12.244  -7.853  -5.648
   29   2HB   LYS   3          1HB       LYS   3  13.349  -7.716  -4.284
   30   1HG   LYS   3          2HG       LYS   3  12.025  -9.557  -3.150
   31   2HG   LYS   3          1HG       LYS   3  11.163  -9.774  -4.672
   32   1HD   LYS   3          2HD       LYS   3  12.932 -10.783  -5.683
   33   2HD   LYS   3          1HD       LYS   3  14.104  -9.706  -4.923
   34   1HE   LYS   3          2HE       LYS   3  14.586 -11.752  -3.866
   35   2HE   LYS   3          1HE       LYS   3  13.435 -11.032  -2.725
   36   1HZ   LYS   3          1HZ       LYS   3  12.203 -12.845  -3.093
   37   2HZ   LYS   3          2HZ       LYS   3  13.097 -13.297  -4.465
   38   3HZ   LYS   3          3HZ       LYS   3  11.836 -12.167  -4.604
   39    H    LEU   4           H        LEU   4  10.538  -8.215  -1.761
   40    HA   LEU   4           HA       LEU   4   8.196  -9.538  -2.953
   41   1HB   LEU   4          2HB       LEU   4   9.795  -9.609  -0.450
   42   2HB   LEU   4          1HB       LEU   4   8.097 -10.061  -0.289
   43    HG   LEU   4           HG       LEU   4   9.735 -11.222  -2.523
   44   1HD1  LEU   4          1HD1      LEU   4  10.924 -11.480  -0.261
   45   2HD1  LEU   4          2HD1      LEU   4  10.572 -12.967  -1.142
   46   3HD1  LEU   4          3HD1      LEU   4   9.556 -12.485   0.216
   47   1HD2  LEU   4          1HD2      LEU   4   7.143 -11.659  -1.193
   48   2HD2  LEU   4          2HD2      LEU   4   8.061 -13.142  -1.464
   49   3HD2  LEU   4          3HD2      LEU   4   7.656 -12.094  -2.824
   50    H    PHE   5           H        PHE   5   8.862  -6.536  -1.547
   51    HA   PHE   5           HA       PHE   5   6.520  -6.029  -0.003
   52   1HB   PHE   5          2HB       PHE   5   8.823  -4.682  -0.944
   53   2HB   PHE   5          1HB       PHE   5   7.443  -3.711  -1.455
   54    HD1  PHE   5           HD1      PHE   5   6.402  -2.270   0.079
   55    HD2  PHE   5           HD2      PHE   5   8.795  -5.531   1.528
   56    HE1  PHE   5           HE1      PHE   5   6.126  -1.441   2.400
   57    HE2  PHE   5           HE2      PHE   5   8.519  -4.701   3.847
   58    HZ   PHE   5           HZ       PHE   5   7.185  -2.657   4.285
   59    H    LYS   6           H        LYS   6   7.059  -6.220  -3.410
   60    HA   LYS   6           HA       LYS   6   4.827  -4.710  -4.379
   61   1HB   LYS   6          2HB       LYS   6   6.906  -5.900  -5.518
   62   2HB   LYS   6          1HB       LYS   6   5.784  -7.253  -5.669
   63   1HG   LYS   6          2HG       LYS   6   4.144  -5.676  -6.751
   64   2HG   LYS   6          1HG       LYS   6   5.410  -4.447  -6.750
   65   1HD   LYS   6          2HD       LYS   6   6.208  -5.305  -8.669
   66   2HD   LYS   6          1HD       LYS   6   6.563  -6.810  -7.820
   67   1HE   LYS   6          2HE       LYS   6   4.013  -7.317  -8.168
   68   2HE   LYS   6          1HE       LYS   6   4.135  -6.094  -9.449
   69   1HZ   LYS   6          1HZ       LYS   6   6.060  -7.276 -10.334
   70   2HZ   LYS   6          2HZ       LYS   6   4.691  -8.280 -10.315
   71   3HZ   LYS   6          3HZ       LYS   6   5.900  -8.466  -9.136
   72    H    LYS   7           H        LYS   7   5.068  -7.694  -2.691
   73    HA   LYS   7           HA       LYS   7   2.447  -8.727  -3.573
   74   1HB   LYS   7          2HB       LYS   7   4.320 -10.242  -3.155
   75   2HB   LYS   7          1HB       LYS   7   4.518  -9.591  -1.527
   76   1HG   LYS   7          2HG       LYS   7   2.873 -10.896  -0.702
   77   2HG   LYS   7          1HG       LYS   7   1.785 -10.485  -2.028
   78   1HD   LYS   7          2HD       LYS   7   2.160 -12.815  -2.273
   79   2HD   LYS   7          1HD       LYS   7   3.224 -12.070  -3.465
   80   1HE   LYS   7          2HE       LYS   7   4.956 -12.097  -1.440
   81   2HE   LYS   7          1HE       LYS   7   3.929 -13.437  -0.894
   82   1HZ   LYS   7          1HZ       LYS   7   4.701 -13.302  -3.725
   83   2HZ   LYS   7          2HZ       LYS   7   4.351 -14.661  -2.766
   84   3HZ   LYS   7          3HZ       LYS   7   5.843 -13.863  -2.604
   85    H    ILE   8           H        ILE   8   3.702  -6.594  -1.203
   86    HA   ILE   8           HA       ILE   8   2.218  -6.920   1.112
   87    HB   ILE   8           HB       ILE   8   3.887  -5.103   0.318
   88   1HG1  ILE   8          2HG1      ILE   8   2.581  -5.276   2.554
   89   2HG1  ILE   8          1HG1      ILE   8   3.279  -3.714   2.128
   90   1HG2  ILE   8          1HG2      ILE   8   2.792  -2.986  -0.398
   91   2HG2  ILE   8          2HG2      ILE   8   1.257  -3.846  -0.519
   92   3HG2  ILE   8          3HG2      ILE   8   2.596  -4.277  -1.583
   93   1HD1  ILE   8          1HD1      ILE   8   0.614  -4.181   2.779
   94   2HD1  ILE   8          2HD1      ILE   8   0.597  -4.061   1.019
   95   3HD1  ILE   8          3HD1      ILE   8   1.247  -2.738   1.987
   96    HA   PRO   9           HA       PRO   9  -1.990  -6.746  -0.182
   97   1HB   PRO   9          2HB       PRO   9  -3.127  -6.281   2.260
   98   2HB   PRO   9          1HB       PRO   9  -2.477  -7.861   1.780
   99   1HG   PRO   9          2HG       PRO   9  -1.264  -5.760   3.503
  100   2HG   PRO   9          1HG       PRO   9  -1.217  -7.523   3.669
  101   1HD   PRO   9          2HD       PRO   9   0.852  -6.041   2.679
  102   2HD   PRO   9          1HD       PRO   9   0.557  -7.739   2.241
  103    H    LYS  10           H        LYS  10  -1.317  -4.556  -1.250
  104    HA   LYS  10           HA       LYS  10  -1.980  -2.111   0.227
  105   1HB   LYS  10          2HB       LYS  10  -0.778  -2.957  -2.289
  106   2HB   LYS  10          1HB       LYS  10  -1.898  -1.617  -2.537
  107   1HG   LYS  10          2HG       LYS  10  -0.762  -0.350  -0.734
  108   2HG   LYS  10          1HG       LYS  10   0.383  -1.678  -0.540
  109   1HD   LYS  10          2HD       LYS  10   1.622  -0.493  -2.046
  110   2HD   LYS  10          1HD       LYS  10   0.557  -1.262  -3.225
  111   1HE   LYS  10          2HE       LYS  10  -0.237   1.342  -1.915
  112   2HE   LYS  10          1HE       LYS  10   0.800   1.322  -3.356
  113   1HZ   LYS  10          1HZ       LYS  10  -1.991   0.538  -3.075
  114   2HZ   LYS  10          2HZ       LYS  10  -1.032  -0.467  -4.054
  115   3HZ   LYS  10          3HZ       LYS  10  -1.178   1.187  -4.415
  116    H    PHE  11           H        PHE  11  -3.759  -4.531  -1.349
  117    HA   PHE  11           HA       PHE  11  -5.859  -3.022  -2.600
  118   1HB   PHE  11          2HB       PHE  11  -5.221  -5.471  -2.861
  119   2HB   PHE  11          1HB       PHE  11  -5.997  -5.758  -1.305
  120    HD1  PHE  11           HD1      PHE  11  -8.432  -4.639  -1.097
  121    HD2  PHE  11           HD2      PHE  11  -6.519  -5.766  -4.772
  122    HE1  PHE  11           HE1      PHE  11 -10.643  -4.748  -2.213
  123    HE2  PHE  11           HE2      PHE  11  -8.731  -5.875  -5.890
  124    HZ   PHE  11           HZ       PHE  11 -10.792  -5.366  -4.610
  125    H    LEU  12           H        LEU  12  -5.293  -4.068   0.725
  126    HA   LEU  12           HA       LEU  12  -7.884  -3.798   1.819
  127   1HB   LEU  12          2HB       LEU  12  -5.213  -4.154   2.663
  128   2HB   LEU  12          1HB       LEU  12  -5.821  -2.769   3.570
  129    HG   LEU  12           HG       LEU  12  -7.826  -4.108   4.206
  130   1HD1  LEU  12          1HD1      LEU  12  -6.379  -6.558   3.241
  131   2HD1  LEU  12          2HD1      LEU  12  -7.395  -5.654   2.118
  132   3HD1  LEU  12          3HD1      LEU  12  -8.095  -6.341   3.584
  133   1HD2  LEU  12          1HD2      LEU  12  -5.033  -4.727   4.963
  134   2HD2  LEU  12          2HD2      LEU  12  -6.212  -5.958   5.417
  135   3HD2  LEU  12          3HD2      LEU  12  -6.408  -4.299   5.983
  136    H    HIS  13           H        HIS  13  -5.480  -1.299   1.045
  137    HA   HIS  13           HA       HIS  13  -6.809   0.864   2.403
  138   1HB   HIS  13          2HB       HIS  13  -4.415   0.452   1.199
  139   2HB   HIS  13          1HB       HIS  13  -5.231   1.382  -0.059
  140    HD1  HIS  13           HD1      HIS  13  -3.010   2.092   2.466
  141    HD2  HIS  13           HD2      HIS  13  -6.803   3.617   1.653
  142    HE1  HIS  13           HE1      HIS  13  -3.147   4.333   3.640
  143    H    SER  14           H        SER  14  -7.266  -0.641  -0.750
  144    HA   SER  14           HA       SER  14  -8.890   1.528  -1.834
  145   1HB   SER  14          2HB       SER  14  -9.068   0.084  -3.711
  146   2HB   SER  14          1HB       SER  14  -7.492  -0.304  -3.028
  147    HG   SER  14           HG       SER  14  -9.870  -1.762  -3.032
  148    H    ALA  15           H        ALA  15  -9.415  -0.930   0.436
  149    HA   ALA  15           HA       ALA  15 -12.180  -1.579  -0.105
  150   1HB   ALA  15          1HB       ALA  15 -12.027  -2.689   2.000
  151   2HB   ALA  15          2HB       ALA  15 -10.778  -1.584   2.575
  152   3HB   ALA  15          3HB       ALA  15 -10.398  -2.773   1.330
  153    H    LYS  16           H        LYS  16 -10.561   1.100   1.430
  154    HA   LYS  16           HA       LYS  16 -12.534   2.107   3.170
  155   1HB   LYS  16          2HB       LYS  16 -10.232   2.959   2.903
  156   2HB   LYS  16          1HB       LYS  16 -10.634   3.553   1.292
  157   1HG   LYS  16          2HG       LYS  16 -11.728   5.371   2.101
  158   2HG   LYS  16          1HG       LYS  16 -12.474   4.455   3.411
  159   1HD   LYS  16          2HD       LYS  16 -11.033   5.686   4.697
  160   2HD   LYS  16          1HD       LYS  16  -9.900   4.413   4.240
  161   1HE   LYS  16          2HE       LYS  16  -9.147   5.793   2.308
  162   2HE   LYS  16          1HE       LYS  16 -10.234   7.091   2.840
  163   1HZ   LYS  16          1HZ       LYS  16  -8.179   5.838   4.579
  164   2HZ   LYS  16          2HZ       LYS  16  -9.127   7.204   4.932
  165   3HZ   LYS  16          3HZ       LYS  16  -7.931   7.284   3.728
  166    H    LYS  17           H        LYS  17 -12.524   1.924  -0.310
  167    HA   LYS  17           HA       LYS  17 -14.181   4.003  -1.150
  168   1HB   LYS  17          2HB       LYS  17 -13.239   1.527  -2.084
  169   2HB   LYS  17          1HB       LYS  17 -14.992   1.438  -2.258
  170   1HG   LYS  17          2HG       LYS  17 -15.018   3.522  -3.521
  171   2HG   LYS  17          1HG       LYS  17 -13.288   3.739  -3.257
  172   1HD   LYS  17          2HD       LYS  17 -13.862   2.785  -5.517
  173   2HD   LYS  17          1HD       LYS  17 -12.770   1.778  -4.568
  174   1HE   LYS  17          2HE       LYS  17 -14.531   0.378  -5.574
  175   2HE   LYS  17          1HE       LYS  17 -14.747   0.425  -3.813
  176   1HZ   LYS  17          1HZ       LYS  17 -16.832   0.909  -4.934
  177   2HZ   LYS  17          2HZ       LYS  17 -16.107   2.189  -5.782
  178   3HZ   LYS  17          3HZ       LYS  17 -16.285   2.278  -4.096
  179    H    PHE  18           H        PHE  18 -14.990   1.303   0.902
  180    HA   PHE  18           HA       PHE  18 -17.890   1.510   0.559
  181   1HB   PHE  18          2HB       PHE  18 -16.312  -0.476   1.246
  182   2HB   PHE  18          1HB       PHE  18 -16.447   0.212   2.863
  183    HD1  PHE  18           HD1      PHE  18 -19.406   1.274   1.800
  184    HD2  PHE  18           HD2      PHE  18 -17.436  -2.500   2.376
  185    HE1  PHE  18           HE1      PHE  18 -21.607   0.168   2.091
  186    HE2  PHE  18           HE2      PHE  18 -19.636  -3.605   2.664
  187    HZ   PHE  18           HZ       PHE  18 -21.722  -2.271   2.522
  188   1HN   NH2  19          1HN       NH2  19 -16.661   4.082   1.340
  189   2HN   NH2  19          2HN       NH2  19 -17.259   4.475   2.878