*HEADER    MEMBRANE PROTEIN                        28-OCT-99   1D9L              
*TITLE     SOLUTION STRUCTURE OF CECROPIN A(1-8)-MAGAININ 2 HYBRID               
*TITLE    2 PEPTIDE ANALOGUE(P1)                                                 
*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-HELIX                                                           
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    D.OH, Y.KIM                                                           
*REVDAT   1   12-NOV-99 1D9L    0  
!  
assign (resid    3 and  name HN   )(resid    4 and  name HN   ) 4.0 2.2 1.0 
assign (resid    4 and  name HN   )(resid    5 and  name HN   ) 2.5 0.7 0.2 
assign (resid    7 and  name HN   )(resid    8 and  name HN   ) 2.5 0.7 0.2 
assign (resid    9 and  name HN   )(resid    8 and  name HN   ) 3.0 1.2 0.3 
assign (resid    9 and  name HN   )(resid   10 and  name HN   ) 3.0 1.2 0.3 
assign (resid   10 and  name HN   )(resid   11 and  name HN   ) 2.5 0.7 0.2 
assign (resid   12 and  name HN   )(resid   11 and  name HN   ) 2.5 0.7 0.2 
assign (resid   12 and  name HN   )(resid   13 and  name HN   ) 2.5 0.7 0.2 
assign (resid   14 and  name HN   )(resid   15 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   ) 3.0 1.2 0.3 
assign (resid    8 and  name HN   )(resid    7 and  name HA   ) 3.0 1.2 0.3 
assign (resid    9 and  name HN   )(resid    8 and  name HA   ) 3.0 1.2 0.3 
assign (resid   10 and  name HN   )(resid    9 and  name HA   ) 3.0 1.2 0.3 
assign (resid   11 and  name HN   )(resid   10 and  name HA   ) 3.0 1.2 0.3 
assign (resid   12 and  name HN   )(resid   11 and  name HA   ) 3.0 1.2 0.3 
assign (resid   13 and  name HN   )(resid   12 and  name HA   ) 3.0 1.2 0.3 
assign (resid   14 and  name HN   )(resid   13 and  name HA   ) 3.0 1.2 0.3 
assign (resid   15 and  name HN   )(resid   14 and  name HA   ) 3.0 1.2 0.3 
assign (resid   16 and  name HN   )(resid   15 and  name HA   ) 3.0 1.2 0.3 
assign (resid   17 and  name HN   )(resid   16 and  name HA   ) 3.0 1.2 0.3 
!  
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    9 and  name HN   )(resid    8 and  name HB   ) 3.0 1.2 0.3  
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 HB2  ) 3.0 1.2 0.3 
assign (resid   13 and  name HN   )(resid   12 and  name HB1  ) 3.0 1.2 0.3 
assign (resid   14 and  name HN   )(resid   13 and  name HB#  ) 3.0 1.2 1.3 
assign (resid   16 and  name HN   )(resid   15 and  name HB#  ) 2.5 0.7 1.2 
!  
assign (resid    2 and  name HD1  )(resid    3 and  name HB#  ) 4.0 2.2 2.0 
assign (resid    3 and  name HN   )(resid    2 and  name HD1  ) 4.0 2.2 1.0 
assign (resid    5 and  name HN   )(resid    4 and  name HG   ) 4.0 2.2 1.0 
assign (resid    5 and  name HN   )(resid    4 and  name HD1# ) 4.0 2.2 2.5 
assign (resid    5 and  name HN   )(resid    4 and  name HD2# ) 4.0 2.2 2.5 
assign (resid    5 and  name HD#  )(resid    4 and  name HA   ) 4.0 2.2 3.0 
assign (resid    7 and  name HA   )(resid    6 and  name HG#  ) 4.0 2.2 2.0 
assign (resid    9 and  name HN   )(resid    8 and  name HG2# ) 3.0 1.2 1.8 
assign (resid    9 and  name HA   )(resid    8 and  name HB   ) 4.0 2.2 1.0 
assign (resid   12 and  name HN   )(resid   11 and  name HG   ) 4.0 2.2 1.0 
assign (resid   12 and  name HD2  )(resid   11 and  name HA   ) 4.0 2.2 1.0 
assign (resid   17 and  name HN   )(resid   18 and  name H2   ) 4.0 2.2 1.0  
!  
assign (resid    9 and  name HN   )(resid    7 and  name HN   ) 4.0 2.2 1.0 
assign (resid    9 and  name HN   )(resid   11 and  name HN   ) 4.0 2.2 1.0 
assign (resid   12 and  name HN   )(resid   10 and  name HN   ) 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    9 and  name HN   )(resid    7 and  name HA   ) 4.0 2.2 1.0 
assign (resid   10 and  name HN   )(resid    8 and  name HA   ) 4.0 2.2 1.0 
assign (resid   11 and  name HN   )(resid    9 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    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    9 and  name HN   )(resid    6 and  name HA   ) 4.0 2.2 1.0 
assign (resid   10 and  name HN   )(resid    7 and  name HA   ) 4.0 2.2 1.0 
assign (resid   11 and  name HN   )(resid    8 and  name HA   ) 3.0 1.2 0.3 
assign (resid   12 and  name HN   )(resid    9 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    4 and  name HA   )(resid    7 and  name HB#  ) 3.0 1.2 1.3 
assign (resid    5 and  name HA   )(resid    8 and  name HB   ) 3.0 1.2 0.3 
assign (resid    6 and  name HA   )(resid    9 and  name HB#  ) 4.0 2.2 1.0 
assign (resid    7 and  name HA   )(resid   10 and  name HB#  ) 4.0 2.2 1.0 
assign (resid    8 and  name HA   )(resid   11 and  name HB#  ) 3.0 1.2 1.3 
assign (resid    9 and  name HA   )(resid   12 and  name HB1  ) 4.0 2.2 1.0 
assign (resid    9 and  name HA   )(resid   12 and  name HB2  ) 4.0 2.2 1.0 
assign (resid   10 and  name HA   )(resid   13 and  name HB#  ) 4.0 2.2 1.0 
assign (resid   11 and  name HA   )(resid   14 and  name HB#  ) 3.0 1.2 1.8 
assign (resid   12 and  name HA   )(resid   15 and  name HB#  ) 4.0 2.2 1.0 
!  
assign (resid   10 and  name HN   )(resid    6 and  name HA   ) 4.0 2.2 1.0 
assign (resid   11 and  name HN   )(resid    7 and  name HA   ) 4.0 2.2 1.0 
assign (resid   13 and  name HN   )(resid    9 and  name HA   ) 4.0 2.2 1.0 
assign (resid   14 and  name HN   )(resid   10 and  name HA   ) 4.0 2.2 1.0 
assign (resid   15 and  name HN   )(resid   11 and  name HA   ) 4.0 2.2 1.0 
! 
assign (resid    5 and  name HA   )(resid    8 and  name HG11 ) 3.0 1.2 0.3 
assign (resid    8 and  name HA   )(resid   11 and  name HB#  ) 4.0 2.2 2.0 
assign (resid   10 and  name HD#  )(resid    7 and  name HA   ) 4.0 2.2 3.0  
assign (resid   10 and  name HN   )(resid    8 and  name HG2# ) 4.0 2.2 2.5  
assign (resid   11 and  name HN   )(resid    9 and  name HD#  ) 3.0 1.2 1.3 
! 
assign (resid    2 and  name HE3  )(resid    2 and  name HB#  ) 3.0 1.2 1.3 
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#  ) 3.0 1.2 1.3 
assign (resid    3 and  name HN   )(resid    3 and  name HG#  ) 4.0 2.2 2.0 
assign (resid    4 and  name HN   )(resid    4 and  name HB#  ) 3.0 1.2 1.3 
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 HD2# ) 4.0 2.2 2.5 
assign (resid    4 and  name HN   )(resid    4 and  name HD1# ) 4.0 2.2 2.5  
assign (resid    4 and  name HA   )(resid    4 and  name HD2# ) 4.0 2.2 2.5 
assign (resid    4 and  name HA   )(resid    4 and  name HD1# ) 4.0 2.2 2.5 
assign (resid    4 and  name HA   )(resid    4 and  name HB#  ) 3.0 1.2 1.3 
assign (resid    4 and  name HA   )(resid    4 and  name HG   ) 3.0 1.2 0.3 
assign (resid    5 and  name HN   )(resid    5 and  name HB2  ) 3.0 1.2 0.3 
assign (resid    5 and  name HN   )(resid    5 and  name HB1  ) 3.0 1.2 0.3 
assign (resid    5 and  name HD#  )(resid    5 and  name HA   ) 3.0 1.2 2.3 
assign (resid    5 and  name HN   )(resid    5 and  name HD#  ) 3.0 1.2 2.3 
assign (resid    6 and  name HN   )(resid    6 and  name HB#  ) 3.0 1.2 1.3 
assign (resid    6 and  name HN   )(resid    6 and  name HG#  ) 2.5 0.7 1.2 
assign (resid    6 and  name HA   )(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    8 and  name HN   )(resid    8 and  name HB   ) 3.0 1.2 0.3 
assign (resid    8 and  name HN   )(resid    8 and  name HG12 ) 4.0 2.2 1.0 
assign (resid    8 and  name HN   )(resid    8 and  name HG11 ) 4.0 2.2 1.0 
assign (resid    8 and  name HN   )(resid    8 and  name HG2# ) 3.0 1.2 1.8 
assign (resid    8 and  name HA   )(resid    8 and  name HG2# ) 3.0 1.2 1.8 
assign (resid    8 and  name HA   )(resid    8 and  name HG11 ) 4.0 2.2 1.0 
assign (resid    8 and  name HA   )(resid    8 and  name HG12 ) 4.0 2.2 1.0 
assign (resid    9 and  name HN   )(resid    9 and  name HB#  ) 2.5 0.7 1.2 
assign (resid    9 and  name HN   )(resid    9 and  name HG#  ) 3.0 1.2 1.3 
assign (resid    9 and  name HA   )(resid    9 and  name HG#  ) 3.0 1.2 1.3 
assign (resid    9 and  name HN   )(resid    9 and  name HD#  ) 4.0 2.2 2.0 
assign (resid   10 and  name HN   )(resid   10 and  name HB#  ) 2.5 0.7 1.2  
assign (resid   10 and  name HD#  )(resid   10 and  name HA   ) 3.0 1.2 2.3 
assign (resid   10 and  name HN   )(resid   10 and  name HD#  ) 3.0 1.2 2.3 
assign (resid   11 and  name HN   )(resid   11 and  name HB#  ) 3.0 1.2 1.3 
assign (resid   11 and  name HN   )(resid   11 and  name HG   ) 3.0 1.2 0.3 
assign (resid   11 and  name HN   )(resid   11 and  name HD2# ) 3.0 1.2 1.8 
assign (resid   11 and  name HN   )(resid   11 and  name HD1# ) 4.0 2.2 2.5 
assign (resid   11 and  name HA   )(resid   11 and  name HD1# ) 3.0 1.2 1.8 
assign (resid   11 and  name HA   )(resid   11 and  name HG   ) 3.0 1.2 0.3 
assign (resid   12 and  name HN   )(resid   12 and  name HB2  ) 3.0 1.2 0.3 
assign (resid   12 and  name HN   )(resid   12 and  name HB1  ) 3.0 1.2 0.3  
assign (resid   12 and  name HD2  )(resid   12 and  name HA   ) 3.0 1.2 0.3 
assign (resid   13 and  name HN   )(resid   13 and  name HB#  ) 3.0 1.2 1.3 
assign (resid   14 and  name HN   )(resid   14 and  name HB#  ) 2.5 0.7 1.7 
assign (resid   15 and  name HN   )(resid   15 and  name HB#  ) 3.0 1.2 1.3  
assign (resid   15 and  name HN   )(resid   15 and  name HG#  ) 3.0 1.2 1.3 
assign (resid   15 and  name HA   )(resid   15 and  name HG#  ) 4.0 2.2 2.0 
assign (resid   15 and  name HA   )(resid   15 and  name HD#  ) 4.0 2.2 2.0 
assign (resid   15 and  name HN   )(resid   15 and  name HD#  ) 3.0 1.2 1.3 
assign (resid   16 and  name HN   )(resid   16 and  name HG2  ) 4.0 2.2 1.0 
assign (resid   16 and  name HN   )(resid   16 and  name HB#  ) 3.0 1.2 1.3 
assign (resid   16 and  name HA   )(resid   16 and  name HG2# ) 4.0 2.2 2.0 
assign (resid   16 and  name HN   )(resid   16 and  name HG1  ) 3.0 1.2 0.3 
assign (resid   17 and  name HN   )(resid   17 and  name HB2  ) 3.0 1.2 0.3 
assign (resid   17 and  name HN   )(resid   17 and  name HB1  ) 2.5 0.7 0.2 
assign (resid   17 and  name HD#  )(resid   17 and  name HA   ) 3.0 1.2 2.3 
assign (resid   17 and  name H1   )(resid   17 and  name HA   ) 4.0 2.2 1.0 
assign (resid   17 and  name HN   )(resid   17 and  name H1   ) 4.0 2.2 1.0 
! 
assign (resid   14 and  name N    )(resid   10 and  name O    ) 3.3 0.8 0.2
assign (resid   14 and  name HN   )(resid   10 and  name O    ) 2.3 0.8 0.2
!
!!Phi
  !!    3
 assign (resid   2 and name c )   (resid   3 and name n ) 
        (resid   3 and name ca)   (resid   3 and name c )  1.0 -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 -105.0 60.0 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 -60.0 25.0 2
  !!    7
 assign (resid   6 and name c )   (resid   7 and name n ) 
        (resid   7 and name ca)   (resid   7 and name c )  1.0 -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 -60.0 25.0 2
  !!    9
 assign (resid   8 and name c )   (resid   9 and name n ) 
        (resid   9 and name ca)   (resid   9 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 -105.0 60.0 2
  !!    12 
 assign (resid   11 and name c )   (resid   12 and name n ) 
        (resid   12 and name ca)   (resid   12 and name c )  1.0 -105.0 60.0 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 -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  15.906  -1.724   3.306
    2   2H    LYS   1          2H        LYS   1  17.501  -1.835   2.731
    3   3H    LYS   1          3H        LYS   1  16.194  -2.049   1.667
    4    HA   LYS   1           HA       LYS   1  17.148   0.458   2.926
    5   1HB   LYS   1          2HB       LYS   1  17.397   1.097   0.630
    6   2HB   LYS   1          1HB       LYS   1  18.010  -0.552   0.735
    7   1HG   LYS   1          2HG       LYS   1  15.799  -1.398  -0.027
    8   2HG   LYS   1          1HG       LYS   1  15.243   0.267  -0.199
    9   1HD   LYS   1          2HD       LYS   1  16.210   0.417  -2.225
   10   2HD   LYS   1          1HD       LYS   1  17.773  -0.032  -1.539
   11   1HE   LYS   1          2HE       LYS   1  16.381  -2.443  -1.569
   12   2HE   LYS   1          1HE       LYS   1  15.909  -1.666  -3.093
   13   1HZ   LYS   1          1HZ       LYS   1  18.616  -2.305  -2.108
   14   2HZ   LYS   1          2HZ       LYS   1  18.386  -1.052  -3.232
   15   3HZ   LYS   1          3HZ       LYS   1  17.929  -2.641  -3.622
   16    H    TRP   2           H        TRP   2  14.365  -1.178   1.432
   17    HA   TRP   2           HA       TRP   2  12.523   0.737   2.691
   18   1HB   TRP   2          2HB       TRP   2  13.604   1.495   0.323
   19   2HB   TRP   2          1HB       TRP   2  12.227   0.564  -0.263
   20    HD1  TRP   2           HD1      TRP   2  10.621   1.472   2.592
   21    HE1  TRP   2           HE1      TRP   2   9.439   3.763   2.505
   22    HE3  TRP   2           HE3      TRP   2  13.052   3.564  -1.378
   23    HZ2  TRP   2           HZ2      TRP   2   9.519   6.167   0.954
   24    HZ3  TRP   2           HZ3      TRP   2  12.484   5.852  -2.137
   25    HH2  TRP   2           HH2      TRP   2  10.722   7.156  -0.978
   26    H    LYS   3           H        LYS   3  10.309   0.167   0.985
   27    HA   LYS   3           HA       LYS   3  10.077  -2.731   0.620
   28   1HB   LYS   3          2HB       LYS   3   8.203  -2.764   2.413
   29   2HB   LYS   3          1HB       LYS   3   9.872  -2.747   2.984
   30   1HG   LYS   3          2HG       LYS   3   9.782  -0.426   3.504
   31   2HG   LYS   3          1HG       LYS   3   8.295  -0.200   2.584
   32   1HD   LYS   3          2HD       LYS   3   6.967  -1.185   4.220
   33   2HD   LYS   3          1HD       LYS   3   8.300  -2.141   4.869
   34   1HE   LYS   3          2HE       LYS   3   8.170   0.885   5.097
   35   2HE   LYS   3          1HE       LYS   3   7.609  -0.221   6.367
   36   1HZ   LYS   3          1HZ       LYS   3   9.867  -1.345   6.046
   37   2HZ   LYS   3          2HZ       LYS   3   9.835   0.126   6.896
   38   3HZ   LYS   3          3HZ       LYS   3  10.337   0.091   5.274
   39    H    LEU   4           H        LEU   4   8.910  -2.696  -1.276
   40    HA   LEU   4           HA       LEU   4   7.133  -0.539  -2.015
   41   1HB   LEU   4          2HB       LEU   4   7.729  -3.318  -3.047
   42   2HB   LEU   4          1HB       LEU   4   6.563  -2.260  -3.844
   43    HG   LEU   4           HG       LEU   4   9.278  -1.173  -3.196
   44   1HD1  LEU   4          1HD1      LEU   4   9.863  -3.254  -4.263
   45   2HD1  LEU   4          2HD1      LEU   4  10.008  -1.988  -5.482
   46   3HD1  LEU   4          3HD1      LEU   4   8.600  -3.049  -5.476
   47   1HD2  LEU   4          1HD2      LEU   4   7.542  -0.798  -5.644
   48   2HD2  LEU   4          2HD2      LEU   4   8.818   0.261  -5.044
   49   3HD2  LEU   4          3HD2      LEU   4   7.292   0.136  -4.169
   50    H    PHE   5           H        PHE   5   6.730  -3.036   0.183
   51    HA   PHE   5           HA       PHE   5   4.002  -3.812  -0.364
   52   1HB   PHE   5          2HB       PHE   5   4.959  -5.350   1.034
   53   2HB   PHE   5          1HB       PHE   5   6.096  -4.174   1.685
   54    HD1  PHE   5           HD1      PHE   5   5.582  -2.893   3.676
   55    HD2  PHE   5           HD2      PHE   5   2.684  -5.570   1.978
   56    HE1  PHE   5           HE1      PHE   5   4.208  -2.707   5.732
   57    HE2  PHE   5           HE2      PHE   5   1.309  -5.384   4.034
   58    HZ   PHE   5           HZ       PHE   5   2.071  -3.953   5.910
   59    H    LYS   6           H        LYS   6   5.481  -1.077   1.101
   60    HA   LYS   6           HA       LYS   6   3.264  -0.196   2.735
   61   1HB   LYS   6          2HB       LYS   6   4.574   1.910   2.760
   62   2HB   LYS   6          1HB       LYS   6   5.622   0.512   3.012
   63   1HG   LYS   6          2HG       LYS   6   6.854   1.390   1.318
   64   2HG   LYS   6          1HG       LYS   6   5.609   0.696   0.279
   65   1HD   LYS   6          2HD       LYS   6   4.328   2.901   0.627
   66   2HD   LYS   6          1HD       LYS   6   5.845   3.542   1.259
   67   1HE   LYS   6          2HE       LYS   6   5.434   2.332  -1.501
   68   2HE   LYS   6          1HE       LYS   6   5.724   4.044  -1.134
   69   1HZ   LYS   6          1HZ       LYS   6   7.694   2.808   0.232
   70   2HZ   LYS   6          2HZ       LYS   6   7.878   3.499  -1.309
   71   3HZ   LYS   6          3HZ       LYS   6   7.583   1.834  -1.152
   72    H    LYS   7           H        LYS   7   3.755  -0.337  -0.613
   73    HA   LYS   7           HA       LYS   7   1.984   1.962  -1.217
   74   1HB   LYS   7          2HB       LYS   7   4.098   0.446  -2.502
   75   2HB   LYS   7          1HB       LYS   7   2.684   0.554  -3.551
   76   1HG   LYS   7          2HG       LYS   7   2.709   2.927  -3.528
   77   2HG   LYS   7          1HG       LYS   7   3.799   2.981  -2.142
   78   1HD   LYS   7          2HD       LYS   7   5.615   2.049  -3.492
   79   2HD   LYS   7          1HD       LYS   7   4.533   1.890  -4.874
   80   1HE   LYS   7          2HE       LYS   7   5.358   3.954  -5.445
   81   2HE   LYS   7          1HE       LYS   7   4.199   4.544  -4.239
   82   1HZ   LYS   7          1HZ       LYS   7   6.872   4.896  -4.091
   83   2HZ   LYS   7          2HZ       LYS   7   6.655   3.520  -3.120
   84   3HZ   LYS   7          3HZ       LYS   7   5.818   4.955  -2.764
   85    H    ILE   8           H        ILE   8   2.000  -1.504  -1.096
   86    HA   ILE   8           HA       ILE   8  -0.503  -1.820  -2.595
   87    HB   ILE   8           HB       ILE   8   1.040  -3.776  -0.865
   88   1HG1  ILE   8          2HG1      ILE   8   2.513  -2.771  -2.563
   89   2HG1  ILE   8          1HG1      ILE   8   2.145  -4.442  -2.989
   90   1HG2  ILE   8          1HG2      ILE   8  -1.264  -3.947  -2.723
   91   2HG2  ILE   8          2HG2      ILE   8  -0.832  -4.986  -1.365
   92   3HG2  ILE   8          3HG2      ILE   8  -0.035  -5.195  -2.924
   93   1HD1  ILE   8          1HD1      ILE   8   1.784  -3.332  -5.018
   94   2HD1  ILE   8          2HD1      ILE   8   1.112  -1.906  -4.229
   95   3HD1  ILE   8          3HD1      ILE   8   0.159  -3.386  -4.332
   96    H    LYS   9           H        LYS   9   0.464  -1.250   0.643
   97    HA   LYS   9           HA       LYS   9  -1.823  -2.374   2.000
   98   1HB   LYS   9          2HB       LYS   9  -0.956  -1.007   3.880
   99   2HB   LYS   9          1HB       LYS   9   0.340  -1.891   3.076
  100   1HG   LYS   9          2HG       LYS   9   1.265   0.246   3.222
  101   2HG   LYS   9          1HG       LYS   9   0.535   0.295   1.618
  102   1HD   LYS   9          2HD       LYS   9  -0.595   2.116   2.306
  103   2HD   LYS   9          1HD       LYS   9  -1.542   1.033   3.325
  104   1HE   LYS   9          2HE       LYS   9  -0.652   2.764   4.769
  105   2HE   LYS   9          1HE       LYS   9   0.293   1.297   5.093
  106   1HZ   LYS   9          1HZ       LYS   9   1.023   3.606   3.390
  107   2HZ   LYS   9          2HZ       LYS   9   1.794   2.100   3.233
  108   3HZ   LYS   9          3HZ       LYS   9   1.885   2.956   4.698
  109    H    PHE  10           H        PHE  10  -1.053   0.785   0.687
  110    HA   PHE  10           HA       PHE  10  -3.425   2.118   1.677
  111   1HB   PHE  10          2HB       PHE  10  -1.040   2.671   0.145
  112   2HB   PHE  10          1HB       PHE  10  -2.438   3.373  -0.666
  113    HD1  PHE  10           HD1      PHE  10   0.009   3.955   1.778
  114    HD2  PHE  10           HD2      PHE  10  -4.178   4.550   1.020
  115    HE1  PHE  10           HE1      PHE  10  -0.032   5.794   3.442
  116    HE2  PHE  10           HE2      PHE  10  -4.217   6.388   2.685
  117    HZ   PHE  10           HZ       PHE  10  -2.144   7.008   3.896
  118    H    LEU  11           H        LEU  11  -2.599   0.209  -1.075
  119    HA   LEU  11           HA       LEU  11  -4.864   0.908  -2.742
  120   1HB   LEU  11          2HB       LEU  11  -2.740  -1.201  -2.617
  121   2HB   LEU  11          1HB       LEU  11  -4.118  -1.469  -3.683
  122    HG   LEU  11           HG       LEU  11  -2.677   1.167  -3.752
  123   1HD1  LEU  11          1HD1      LEU  11  -0.911  -0.530  -3.972
  124   2HD1  LEU  11          2HD1      LEU  11  -1.206   0.248  -5.527
  125   3HD1  LEU  11          3HD1      LEU  11  -1.850  -1.363  -5.211
  126   1HD2  LEU  11          1HD2      LEU  11  -3.920  -0.437  -5.994
  127   2HD2  LEU  11          2HD2      LEU  11  -3.605   1.298  -5.938
  128   3HD2  LEU  11          3HD2      LEU  11  -4.890   0.602  -4.949
  129    H    HIS  12           H        HIS  12  -4.338  -1.186  -0.066
  130    HA   HIS  12           HA       HIS  12  -6.637  -2.909  -0.491
  131   1HB   HIS  12          2HB       HIS  12  -4.541  -2.368   1.555
  132   2HB   HIS  12          1HB       HIS  12  -6.003  -3.182   2.102
  133    HD1  HIS  12           HD1      HIS  12  -4.774  -5.473   2.389
  134    HD2  HIS  12           HD2      HIS  12  -4.637  -3.948  -1.489
  135    HE1  HIS  12           HE1      HIS  12  -3.944  -7.354   0.906
  136    H    SER  13           H        SER  13  -5.944   0.066   1.160
  137    HA   SER  13           HA       SER  13  -8.540   0.191   2.530
  138   1HB   SER  13          2HB       SER  13  -6.515   2.400   2.149
  139   2HB   SER  13          1HB       SER  13  -7.634   2.176   3.491
  140    HG   SER  13           HG       SER  13  -6.447   0.389   4.134
  141    H    ALA  14           H        ALA  14  -7.348   0.908  -0.567
  142    HA   ALA  14           HA       ALA  14  -9.064   3.187  -1.167
  143   1HB   ALA  14          1HB       ALA  14  -8.319   2.072  -3.564
  144   2HB   ALA  14          2HB       ALA  14  -7.075   1.445  -2.483
  145   3HB   ALA  14          3HB       ALA  14  -7.312   3.185  -2.639
  146    H    LYS  15           H        LYS  15  -9.464  -0.196  -0.983
  147    HA   LYS  15           HA       LYS  15 -11.632  -0.478  -2.913
  148   1HB   LYS  15          2HB       LYS  15  -9.876  -2.107  -1.570
  149   2HB   LYS  15          1HB       LYS  15 -11.370  -2.387  -0.675
  150   1HG   LYS  15          2HG       LYS  15 -11.291  -3.982  -2.483
  151   2HG   LYS  15          1HG       LYS  15 -12.523  -2.785  -2.880
  152   1HD   LYS  15          2HD       LYS  15 -11.220  -1.790  -4.532
  153   2HD   LYS  15          1HD       LYS  15  -9.707  -2.338  -3.810
  154   1HE   LYS  15          2HE       LYS  15 -11.140  -4.691  -4.443
  155   2HE   LYS  15          1HE       LYS  15 -11.281  -3.631  -5.859
  156   1HZ   LYS  15          1HZ       LYS  15  -9.032  -3.520  -6.128
  157   2HZ   LYS  15          2HZ       LYS  15  -9.139  -5.083  -5.472
  158   3HZ   LYS  15          3HZ       LYS  15  -8.698  -3.773  -4.485
  159    H    LYS  16           H        LYS  16 -11.518   1.196  -0.080
  160    HA   LYS  16           HA       LYS  16 -13.533   0.512   1.647
  161   1HB   LYS  16          2HB       LYS  16 -12.523   3.050   0.454
  162   2HB   LYS  16          1HB       LYS  16 -14.013   3.153   1.394
  163   1HG   LYS  16          2HG       LYS  16 -11.927   1.509   2.659
  164   2HG   LYS  16          1HG       LYS  16 -11.478   3.205   2.466
  165   1HD   LYS  16          2HD       LYS  16 -14.022   3.497   3.348
  166   2HD   LYS  16          1HD       LYS  16 -13.591   1.990   4.159
  167   1HE   LYS  16          2HE       LYS  16 -11.721   3.009   5.263
  168   2HE   LYS  16          1HE       LYS  16 -11.834   4.462   4.249
  169   1HZ   LYS  16          1HZ       LYS  16 -13.689   3.531   6.349
  170   2HZ   LYS  16          2HZ       LYS  16 -14.235   4.556   5.110
  171   3HZ   LYS  16          3HZ       LYS  16 -12.994   5.065   6.154
  172    H    PHE  17           H        PHE  17 -15.749   0.303   1.587
  173    HA   PHE  17           HA       PHE  17 -17.104   0.470  -1.033
  174   1HB   PHE  17          2HB       PHE  17 -17.228  -1.363   0.828
  175   2HB   PHE  17          1HB       PHE  17 -18.334  -0.248   1.628
  176    HD1  PHE  17           HD1      PHE  17 -18.418  -3.079  -0.210
  177    HD2  PHE  17           HD2      PHE  17 -19.918   0.941  -0.427
  178    HE1  PHE  17           HE1      PHE  17 -20.266  -3.846  -1.675
  179    HE2  PHE  17           HE2      PHE  17 -21.762   0.174  -1.894
  180    HZ   PHE  17           HZ       PHE  17 -21.937  -2.219  -2.518
  181   1HN   NH2  18          1HN       NH2  18 -16.927   2.977  -1.039
  182   2HN   NH2  18          2HN       NH2  18 -18.103   3.855  -0.185
  Start of MODEL    2
    1   1H    LYS   1          1H        LYS   1  15.935  -1.417  -4.425
    2   2H    LYS   1          2H        LYS   1  14.892  -0.386  -5.283
    3   3H    LYS   1          3H        LYS   1  15.515  -1.779  -6.030
    4    HA   LYS   1           HA       LYS   1  13.313  -2.349  -5.457
    5   1HB   LYS   1          2HB       LYS   1  15.573  -3.619  -4.562
    6   2HB   LYS   1          1HB       LYS   1  14.653  -3.452  -3.066
    7   1HG   LYS   1          2HG       LYS   1  13.619  -5.356  -3.761
    8   2HG   LYS   1          1HG       LYS   1  12.693  -4.261  -4.788
    9   1HD   LYS   1          2HD       LYS   1  13.511  -5.339  -6.586
   10   2HD   LYS   1          1HD       LYS   1  15.118  -4.750  -6.154
   11   1HE   LYS   1          2HE       LYS   1  15.504  -6.718  -4.744
   12   2HE   LYS   1          1HE       LYS   1  13.857  -7.297  -5.069
   13   1HZ   LYS   1          1HZ       LYS   1  14.381  -7.899  -7.156
   14   2HZ   LYS   1          2HZ       LYS   1  15.978  -7.932  -6.578
   15   3HZ   LYS   1          3HZ       LYS   1  15.400  -6.567  -7.411
   16    H    TRP   2           H        TRP   2  15.026  -1.049  -2.597
   17    HA   TRP   2           HA       TRP   2  14.166  -0.049  -0.631
   18   1HB   TRP   2          2HB       TRP   2  13.205   1.171  -3.043
   19   2HB   TRP   2          1HB       TRP   2  11.928   1.263  -1.830
   20    HD1  TRP   2           HD1      TRP   2  12.293   2.803   0.233
   21    HE1  TRP   2           HE1      TRP   2  14.105   4.522   0.871
   22    HE3  TRP   2           HE3      TRP   2  15.846   1.687  -3.268
   23    HZ2  TRP   2           HZ2      TRP   2  16.715   5.317   0.014
   24    HZ3  TRP   2           HZ3      TRP   2  17.984   2.939  -3.330
   25    HH2  TRP   2           HH2      TRP   2  18.423   4.753  -1.695
   26    H    LYS   3           H        LYS   3  11.502   0.598   0.053
   27    HA   LYS   3           HA       LYS   3  10.343  -2.144   0.356
   28   1HB   LYS   3          2HB       LYS   3  10.724   0.239   2.022
   29   2HB   LYS   3          1HB       LYS   3   9.087  -0.412   2.129
   30   1HG   LYS   3          2HG       LYS   3  10.216  -1.646   3.770
   31   2HG   LYS   3          1HG       LYS   3  10.298  -2.719   2.372
   32   1HD   LYS   3          2HD       LYS   3  12.539  -2.706   2.575
   33   2HD   LYS   3          1HD       LYS   3  12.513  -0.999   2.128
   34   1HE   LYS   3          2HE       LYS   3  12.591  -0.277   4.362
   35   2HE   LYS   3          1HE       LYS   3  11.964  -1.818   4.980
   36   1HZ   LYS   3          1HZ       LYS   3  14.082  -2.414   5.249
   37   2HZ   LYS   3          2HZ       LYS   3  14.661  -1.084   4.367
   38   3HZ   LYS   3          3HZ       LYS   3  14.198  -2.505   3.560
   39    H    LEU   4           H        LEU   4   9.070  -2.228  -1.572
   40    HA   LEU   4           HA       LEU   4   7.210  -0.034  -2.212
   41   1HB   LEU   4          2HB       LEU   4   7.940  -2.732  -3.350
   42   2HB   LEU   4          1HB       LEU   4   6.547  -1.844  -3.968
   43    HG   LEU   4           HG       LEU   4   8.834  -0.085  -3.728
   44   1HD1  LEU   4          1HD1      LEU   4   9.263  -2.231  -5.782
   45   2HD1  LEU   4          2HD1      LEU   4   9.847  -2.490  -4.139
   46   3HD1  LEU   4          3HD1      LEU   4  10.431  -1.114  -5.075
   47   1HD2  LEU   4          1HD2      LEU   4   6.805   0.269  -5.124
   48   2HD2  LEU   4          2HD2      LEU   4   7.276  -1.103  -6.126
   49   3HD2  LEU   4          3HD2      LEU   4   8.283   0.344  -6.084
   50    H    PHE   5           H        PHE   5   7.094  -2.030   0.266
   51    HA   PHE   5           HA       PHE   5   4.531  -3.369  -0.098
   52   1HB   PHE   5          2HB       PHE   5   6.726  -3.633   1.526
   53   2HB   PHE   5          1HB       PHE   5   5.554  -2.899   2.623
   54    HD1  PHE   5           HD1      PHE   5   6.739  -5.951   1.419
   55    HD2  PHE   5           HD2      PHE   5   3.063  -3.924   2.323
   56    HE1  PHE   5           HE1      PHE   5   5.593  -8.138   1.655
   57    HE2  PHE   5           HE2      PHE   5   1.914  -6.109   2.560
   58    HZ   PHE   5           HZ       PHE   5   3.180  -8.217   2.225
   59    H    LYS   6           H        LYS   6   5.517  -0.218   0.858
   60    HA   LYS   6           HA       LYS   6   3.230   0.405   2.530
   61   1HB   LYS   6          2HB       LYS   6   4.128   2.631   2.461
   62   2HB   LYS   6          1HB       LYS   6   5.512   1.541   2.439
   63   1HG   LYS   6          2HG       LYS   6   5.995   1.979   0.207
   64   2HG   LYS   6          1HG       LYS   6   4.336   2.434  -0.175
   65   1HD   LYS   6          2HD       LYS   6   5.503   4.172   1.855
   66   2HD   LYS   6          1HD       LYS   6   6.422   4.197   0.350
   67   1HE   LYS   6          2HE       LYS   6   3.454   4.310   0.089
   68   2HE   LYS   6          1HE       LYS   6   4.261   5.764   0.710
   69   1HZ   LYS   6          1HZ       LYS   6   4.543   4.449  -1.887
   70   2HZ   LYS   6          2HZ       LYS   6   5.946   5.124  -1.205
   71   3HZ   LYS   6          3HZ       LYS   6   4.588   6.100  -1.503
   72    H    LYS   7           H        LYS   7   3.498  -0.193  -0.757
   73    HA   LYS   7           HA       LYS   7   1.271   1.651  -1.478
   74   1HB   LYS   7          2HB       LYS   7   3.401   1.560  -2.811
   75   2HB   LYS   7          1HB       LYS   7   3.028  -0.119  -3.203
   76   1HG   LYS   7          2HG       LYS   7   1.782   0.612  -4.927
   77   2HG   LYS   7          1HG       LYS   7   0.682   1.352  -3.764
   78   1HD   LYS   7          2HD       LYS   7   3.172   2.867  -4.280
   79   2HD   LYS   7          1HD       LYS   7   2.059   2.763  -5.645
   80   1HE   LYS   7          2HE       LYS   7   0.548   4.148  -4.653
   81   2HE   LYS   7          1HE       LYS   7   0.730   3.353  -3.077
   82   1HZ   LYS   7          1HZ       LYS   7   3.041   4.402  -3.079
   83   2HZ   LYS   7          2HZ       LYS   7   1.721   5.427  -2.770
   84   3HZ   LYS   7          3HZ       LYS   7   2.453   5.419  -4.303
   85    H    ILE   8           H        ILE   8   1.869  -1.551  -0.560
   86    HA   ILE   8           HA       ILE   8  -0.318  -2.763  -2.106
   87    HB   ILE   8           HB       ILE   8   1.387  -3.793   0.179
   88   1HG1  ILE   8          2HG1      ILE   8   1.716  -3.862  -2.832
   89   2HG1  ILE   8          1HG1      ILE   8   2.851  -3.239  -1.635
   90   1HG2  ILE   8          1HG2      ILE   8   0.213  -5.604  -1.858
   91   2HG2  ILE   8          2HG2      ILE   8  -0.927  -4.879  -0.725
   92   3HG2  ILE   8          3HG2      ILE   8   0.421  -5.846  -0.124
   93   1HD1  ILE   8          1HD1      ILE   8   3.841  -5.269  -1.703
   94   2HD1  ILE   8          2HD1      ILE   8   2.493  -5.973  -2.595
   95   3HD1  ILE   8          3HD1      ILE   8   2.431  -5.876  -0.835
   96    H    LYS   9           H        LYS   9   0.370  -2.032   1.275
   97    HA   LYS   9           HA       LYS   9  -2.143  -2.845   2.348
   98   1HB   LYS   9          2HB       LYS   9  -0.926  -2.360   4.197
   99   2HB   LYS   9          1HB       LYS   9   0.310  -1.639   3.171
  100   1HG   LYS   9          2HG       LYS   9  -2.153  -0.149   4.125
  101   2HG   LYS   9          1HG       LYS   9  -0.593  -0.090   4.947
  102   1HD   LYS   9          2HD       LYS   9   0.032   0.401   2.271
  103   2HD   LYS   9          1HD       LYS   9  -1.460   1.305   2.539
  104   1HE   LYS   9          2HE       LYS   9   0.875   1.453   4.466
  105   2HE   LYS   9          1HE       LYS   9   0.686   2.575   3.103
  106   1HZ   LYS   9          1HZ       LYS   9  -0.929   2.301   5.511
  107   2HZ   LYS   9          2HZ       LYS   9  -1.782   2.580   4.068
  108   3HZ   LYS   9          3HZ       LYS   9  -0.595   3.681   4.585
  109    H    PHE  10           H        PHE  10  -1.201  -0.117   0.500
  110    HA   PHE  10           HA       PHE  10  -3.499   1.558   1.265
  111   1HB   PHE  10          2HB       PHE  10  -0.935   1.905   0.180
  112   2HB   PHE  10          1HB       PHE  10  -2.030   2.291  -1.145
  113    HD1  PHE  10           HD1      PHE  10  -0.750   3.324   2.105
  114    HD2  PHE  10           HD2      PHE  10  -3.773   4.067  -0.856
  115    HE1  PHE  10           HE1      PHE  10  -1.214   5.534   3.131
  116    HE2  PHE  10           HE2      PHE  10  -4.236   6.277   0.172
  117    HZ   PHE  10           HZ       PHE  10  -2.956   7.011   2.165
  118    H    LEU  11           H        LEU  11  -2.844  -0.979  -0.898
  119    HA   LEU  11           HA       LEU  11  -4.737  -0.180  -2.990
  120   1HB   LEU  11          2HB       LEU  11  -2.871  -2.416  -2.357
  121   2HB   LEU  11          1HB       LEU  11  -4.203  -2.778  -3.455
  122    HG   LEU  11           HG       LEU  11  -2.372  -0.398  -3.821
  123   1HD1  LEU  11          1HD1      LEU  11  -0.926  -1.655  -5.106
  124   2HD1  LEU  11          2HD1      LEU  11  -2.166  -2.831  -5.541
  125   3HD1  LEU  11          3HD1      LEU  11  -1.413  -2.891  -3.947
  126   1HD2  LEU  11          1HD2      LEU  11  -4.550  -0.252  -4.939
  127   2HD2  LEU  11          2HD2      LEU  11  -4.317  -1.852  -5.643
  128   3HD2  LEU  11          3HD2      LEU  11  -3.281  -0.513  -6.135
  129    H    HIS  12           H        HIS  12  -4.996  -1.565   0.092
  130    HA   HIS  12           HA       HIS  12  -7.521  -2.983  -0.602
  131   1HB   HIS  12          2HB       HIS  12  -5.357  -3.240   1.386
  132   2HB   HIS  12          1HB       HIS  12  -6.973  -3.508   2.028
  133    HD1  HIS  12           HD1      HIS  12  -7.771  -5.863   1.778
  134    HD2  HIS  12           HD2      HIS  12  -5.045  -4.839  -1.205
  135    HE1  HIS  12           HE1      HIS  12  -7.447  -7.936   0.360
  136    H    SER  13           H        SER  13  -6.155  -0.401   1.297
  137    HA   SER  13           HA       SER  13  -8.714   0.250   2.599
  138   1HB   SER  13          2HB       SER  13  -6.267   0.438   3.495
  139   2HB   SER  13          1HB       SER  13  -6.217   1.934   2.569
  140    HG   SER  13           HG       SER  13  -7.441   2.832   4.019
  141    H    ALA  14           H        ALA  14  -7.125   0.956  -0.325
  142    HA   ALA  14           HA       ALA  14  -8.273   3.624  -0.734
  143   1HB   ALA  14          1HB       ALA  14  -6.691   1.617  -2.330
  144   2HB   ALA  14          2HB       ALA  14  -6.216   3.239  -1.824
  145   3HB   ALA  14          3HB       ALA  14  -7.388   3.030  -3.125
  146    H    LYS  15           H        LYS  15  -9.318   0.401  -1.021
  147    HA   LYS  15           HA       LYS  15 -11.151   0.613  -3.230
  148   1HB   LYS  15          2HB       LYS  15 -10.771  -1.167  -0.830
  149   2HB   LYS  15          1HB       LYS  15 -12.180  -1.381  -1.868
  150   1HG   LYS  15          2HG       LYS  15 -10.946  -2.233  -3.585
  151   2HG   LYS  15          1HG       LYS  15  -9.604  -1.124  -3.300
  152   1HD   LYS  15          2HD       LYS  15  -8.514  -2.909  -2.430
  153   2HD   LYS  15          1HD       LYS  15  -9.577  -2.721  -1.035
  154   1HE   LYS  15          2HE       LYS  15  -9.973  -4.556  -3.421
  155   2HE   LYS  15          1HE       LYS  15  -9.825  -5.009  -1.710
  156   1HZ   LYS  15          1HZ       LYS  15 -12.074  -4.912  -1.825
  157   2HZ   LYS  15          2HZ       LYS  15 -12.084  -3.819  -3.125
  158   3HZ   LYS  15          3HZ       LYS  15 -11.796  -3.263  -1.546
  159    H    LYS  16           H        LYS  16 -11.162   2.004  -0.144
  160    HA   LYS  16           HA       LYS  16 -13.845   1.945   0.704
  161   1HB   LYS  16          2HB       LYS  16 -11.631   3.998   0.810
  162   2HB   LYS  16          1HB       LYS  16 -13.185   4.293   1.590
  163   1HG   LYS  16          2HG       LYS  16 -12.730   1.833   2.547
  164   2HG   LYS  16          1HG       LYS  16 -11.055   2.329   2.295
  165   1HD   LYS  16          2HD       LYS  16 -12.060   4.572   3.460
  166   2HD   LYS  16          1HD       LYS  16 -13.049   3.335   4.238
  167   1HE   LYS  16          2HE       LYS  16 -11.095   2.171   5.054
  168   2HE   LYS  16          1HE       LYS  16 -10.018   3.198   4.086
  169   1HZ   LYS  16          1HZ       LYS  16 -11.853   4.144   6.224
  170   2HZ   LYS  16          2HZ       LYS  16 -10.846   5.132   5.277
  171   3HZ   LYS  16          3HZ       LYS  16 -10.168   4.014   6.362
  172    H    PHE  17           H        PHE  17 -15.709   2.841  -0.120
  173    HA   PHE  17           HA       PHE  17 -15.737   4.066  -2.733
  174   1HB   PHE  17          2HB       PHE  17 -17.588   2.744  -1.955
  175   2HB   PHE  17          1HB       PHE  17 -17.756   3.726  -0.500
  176    HD1  PHE  17           HD1      PHE  17 -17.997   3.853  -4.223
  177    HD2  PHE  17           HD2      PHE  17 -19.087   5.682  -0.493
  178    HE1  PHE  17           HE1      PHE  17 -19.541   5.378  -5.424
  179    HE2  PHE  17           HE2      PHE  17 -20.631   7.207  -1.692
  180    HZ   PHE  17           HZ       PHE  17 -20.858   7.056  -4.158
  181   1HN   NH2  18          1HN       NH2  18 -16.219   5.418   0.579
  182   2HN   NH2  18          2HN       NH2  18 -16.012   7.040   0.120
  Start of MODEL    3
    1   1H    LYS   1          1H        LYS   1  11.962  -4.113   6.032
    2   2H    LYS   1          2H        LYS   1  13.488  -4.813   5.763
    3   3H    LYS   1          3H        LYS   1  12.288  -4.896   4.564
    4    HA   LYS   1           HA       LYS   1  12.712  -2.182   5.236
    5   1HB   LYS   1          2HB       LYS   1  14.895  -3.459   5.946
    6   2HB   LYS   1          1HB       LYS   1  15.186  -3.559   4.210
    7   1HG   LYS   1          2HG       LYS   1  16.228  -1.542   4.667
    8   2HG   LYS   1          1HG       LYS   1  14.598  -0.964   4.317
    9   1HD   LYS   1          2HD       LYS   1  14.760   0.043   6.352
   10   2HD   LYS   1          1HD       LYS   1  14.389  -1.564   6.979
   11   1HE   LYS   1          2HE       LYS   1  16.485  -1.821   7.828
   12   2HE   LYS   1          1HE       LYS   1  17.242  -1.199   6.349
   13   1HZ   LYS   1          1HZ       LYS   1  17.624   0.419   8.015
   14   2HZ   LYS   1          2HZ       LYS   1  16.013   0.363   8.553
   15   3HZ   LYS   1          3HZ       LYS   1  16.384   1.040   7.039
   16    H    TRP   2           H        TRP   2  11.044  -2.287   3.541
   17    HA   TRP   2           HA       TRP   2  12.214  -2.234   0.830
   18   1HB   TRP   2          2HB       TRP   2  10.694  -4.461   1.979
   19   2HB   TRP   2          1HB       TRP   2   9.986  -3.860   0.480
   20    HD1  TRP   2           HD1      TRP   2  11.821  -3.570  -1.609
   21    HE1  TRP   2           HE1      TRP   2  13.733  -5.169  -2.269
   22    HE3  TRP   2           HE3      TRP   2  12.340  -6.172   2.754
   23    HZ2  TRP   2           HZ2      TRP   2  15.274  -7.276  -1.101
   24    HZ3  TRP   2           HZ3      TRP   2  14.034  -7.968   2.951
   25    HH2  TRP   2           HH2      TRP   2  15.501  -8.524   1.031
   26    H    LYS   3           H        LYS   3  10.819  -1.111  -0.664
   27    HA   LYS   3           HA       LYS   3   8.635   0.430   0.668
   28   1HB   LYS   3          2HB       LYS   3  10.099   0.899  -1.950
   29   2HB   LYS   3          1HB       LYS   3   9.058   2.049  -1.109
   30   1HG   LYS   3          2HG       LYS   3  10.655   1.830   0.875
   31   2HG   LYS   3          1HG       LYS   3  11.751   0.995  -0.228
   32   1HD   LYS   3          2HD       LYS   3  12.503   3.022  -0.858
   33   2HD   LYS   3          1HD       LYS   3  10.940   3.272  -1.636
   34   1HE   LYS   3          2HE       LYS   3  10.078   4.089   0.629
   35   2HE   LYS   3          1HE       LYS   3  11.773   4.111   1.156
   36   1HZ   LYS   3          1HZ       LYS   3  11.594   6.189   0.239
   37   2HZ   LYS   3          2HZ       LYS   3  10.456   5.709  -0.928
   38   3HZ   LYS   3          3HZ       LYS   3  12.096   5.311  -1.122
   39    H    LEU   4           H        LEU   4   8.957  -2.288  -1.204
   40    HA   LEU   4           HA       LEU   4   6.756  -1.771  -3.092
   41   1HB   LEU   4          2HB       LEU   4   8.624  -4.031  -2.401
   42   2HB   LEU   4          1HB       LEU   4   7.225  -4.333  -3.431
   43    HG   LEU   4           HG       LEU   4   8.595  -1.920  -4.265
   44   1HD1  LEU   4          1HD1      LEU   4  10.427  -3.561  -3.179
   45   2HD1  LEU   4          2HD1      LEU   4  10.757  -2.612  -4.628
   46   3HD1  LEU   4          3HD1      LEU   4  10.302  -4.309  -4.771
   47   1HD2  LEU   4          1HD2      LEU   4   7.684  -2.710  -6.167
   48   2HD2  LEU   4          2HD2      LEU   4   7.260  -4.214  -5.348
   49   3HD2  LEU   4          3HD2      LEU   4   8.826  -4.055  -6.145
   50    H    PHE   5           H        PHE   5   6.579  -1.989   0.082
   51    HA   PHE   5           HA       PHE   5   4.231  -3.849   0.059
   52   1HB   PHE   5          2HB       PHE   5   6.453  -4.454   1.289
   53   2HB   PHE   5          1HB       PHE   5   5.922  -3.263   2.476
   54    HD1  PHE   5           HD1      PHE   5   3.785  -3.588   3.717
   55    HD2  PHE   5           HD2      PHE   5   5.350  -6.578   1.060
   56    HE1  PHE   5           HE1      PHE   5   2.267  -5.273   4.720
   57    HE2  PHE   5           HE2      PHE   5   3.829  -8.263   2.061
   58    HZ   PHE   5           HZ       PHE   5   2.289  -7.610   3.890
   59    H    LYS   6           H        LYS   6   5.555  -0.811   1.143
   60    HA   LYS   6           HA       LYS   6   3.259  -0.091   2.802
   61   1HB   LYS   6          2HB       LYS   6   4.436   2.069   2.925
   62   2HB   LYS   6          1HB       LYS   6   5.581   0.746   3.143
   63   1HG   LYS   6          2HG       LYS   6   6.167   0.887   0.731
   64   2HG   LYS   6          1HG       LYS   6   5.075   2.263   0.566
   65   1HD   LYS   6          2HD       LYS   6   6.446   3.311   2.504
   66   2HD   LYS   6          1HD       LYS   6   7.657   2.087   2.114
   67   1HE   LYS   6          2HE       LYS   6   8.374   3.345   0.375
   68   2HE   LYS   6          1HE       LYS   6   6.746   3.315  -0.331
   69   1HZ   LYS   6          1HZ       LYS   6   7.813   5.547   0.555
   70   2HZ   LYS   6          2HZ       LYS   6   7.180   4.987   2.029
   71   3HZ   LYS   6          3HZ       LYS   6   6.151   5.237   0.700
   72    H    LYS   7           H        LYS   7   3.698  -0.326  -0.505
   73    HA   LYS   7           HA       LYS   7   1.886   1.946  -1.140
   74   1HB   LYS   7          2HB       LYS   7   3.972   0.342  -2.485
   75   2HB   LYS   7          1HB       LYS   7   2.592   0.752  -3.505
   76   1HG   LYS   7          2HG       LYS   7   2.970   3.151  -2.371
   77   2HG   LYS   7          1HG       LYS   7   4.621   2.543  -2.251
   78   1HD   LYS   7          2HD       LYS   7   3.612   1.894  -4.852
   79   2HD   LYS   7          1HD       LYS   7   3.308   3.605  -4.549
   80   1HE   LYS   7          2HE       LYS   7   5.842   3.440  -3.604
   81   2HE   LYS   7          1HE       LYS   7   5.902   2.176  -4.845
   82   1HZ   LYS   7          1HZ       LYS   7   5.816   3.698  -6.443
   83   2HZ   LYS   7          2HZ       LYS   7   5.980   4.909  -5.264
   84   3HZ   LYS   7          3HZ       LYS   7   4.436   4.422  -5.775
   85    H    ILE   8           H        ILE   8   1.911  -1.440  -0.689
   86    HA   ILE   8           HA       ILE   8  -0.456  -1.973  -2.353
   87    HB   ILE   8           HB       ILE   8   0.957  -3.712  -0.313
   88   1HG1  ILE   8          2HG1      ILE   8   2.537  -2.803  -2.007
   89   2HG1  ILE   8          1HG1      ILE   8   2.305  -4.542  -2.191
   90   1HG2  ILE   8          1HG2      ILE   8  -1.130  -4.116  -2.395
   91   2HG2  ILE   8          2HG2      ILE   8  -0.900  -4.948  -0.858
   92   3HG2  ILE   8          3HG2      ILE   8   0.094  -5.378  -2.251
   93   1HD1  ILE   8          1HD1      ILE   8   1.451  -4.289  -4.261
   94   2HD1  ILE   8          2HD1      ILE   8   1.966  -2.602  -4.180
   95   3HD1  ILE   8          3HD1      ILE   8   0.325  -3.048  -3.710
   96    H    LYS   9           H        LYS   9   0.271  -1.081   0.888
   97    HA   LYS   9           HA       LYS   9  -2.064  -2.097   2.209
   98   1HB   LYS   9          2HB       LYS   9  -0.258  -1.472   3.574
   99   2HB   LYS   9          1HB       LYS   9   0.019   0.017   2.671
  100   1HG   LYS   9          2HG       LYS   9  -2.546  -0.378   4.192
  101   2HG   LYS   9          1HG       LYS   9  -1.091   0.169   5.025
  102   1HD   LYS   9          2HD       LYS   9  -1.081   1.795   2.826
  103   2HD   LYS   9          1HD       LYS   9  -2.812   1.608   3.102
  104   1HE   LYS   9          2HE       LYS   9  -2.399   3.390   4.532
  105   2HE   LYS   9          1HE       LYS   9  -2.040   2.055   5.647
  106   1HZ   LYS   9          1HZ       LYS   9   0.240   2.184   5.171
  107   2HZ   LYS   9          2HZ       LYS   9  -0.242   3.800   5.378
  108   3HZ   LYS   9          3HZ       LYS   9   0.001   3.176   3.815
  109    H    PHE  10           H        PHE  10  -1.267   1.074   0.901
  110    HA   PHE  10           HA       PHE  10  -3.822   2.288   1.410
  111   1HB   PHE  10          2HB       PHE  10  -1.421   3.213   0.812
  112   2HB   PHE  10          1HB       PHE  10  -2.003   3.079  -0.844
  113    HD1  PHE  10           HD1      PHE  10  -1.301   5.709   0.004
  114    HD2  PHE  10           HD2      PHE  10  -4.962   3.576   0.721
  115    HE1  PHE  10           HE1      PHE  10  -2.505   7.860   0.256
  116    HE2  PHE  10           HE2      PHE  10  -6.164   5.727   0.975
  117    HZ   PHE  10           HZ       PHE  10  -4.936   7.870   0.742
  118    H    LEU  11           H        LEU  11  -2.581   0.265  -1.090
  119    HA   LEU  11           HA       LEU  11  -4.551   0.866  -3.123
  120   1HB   LEU  11          2HB       LEU  11  -2.540  -1.299  -2.560
  121   2HB   LEU  11          1HB       LEU  11  -3.639  -1.437  -3.933
  122    HG   LEU  11           HG       LEU  11  -1.757   0.885  -3.408
  123   1HD1  LEU  11          1HD1      LEU  11  -1.573  -0.831  -5.832
  124   2HD1  LEU  11          2HD1      LEU  11  -1.030  -1.550  -4.316
  125   3HD1  LEU  11          3HD1      LEU  11  -0.289  -0.059  -4.899
  126   1HD2  LEU  11          1HD2      LEU  11  -3.126   2.022  -4.797
  127   2HD2  LEU  11          2HD2      LEU  11  -4.128   0.593  -5.048
  128   3HD2  LEU  11          3HD2      LEU  11  -2.713   0.865  -6.064
  129    H    HIS  12           H        HIS  12  -4.672  -0.893  -0.210
  130    HA   HIS  12           HA       HIS  12  -7.047  -2.429  -1.160
  131   1HB   HIS  12          2HB       HIS  12  -4.752  -2.963   0.565
  132   2HB   HIS  12          1HB       HIS  12  -6.280  -3.392   1.332
  133    HD1  HIS  12           HD1      HIS  12  -7.108  -5.671   0.743
  134    HD2  HIS  12           HD2      HIS  12  -4.698  -4.091  -2.270
  135    HE1  HIS  12           HE1      HIS  12  -6.932  -7.457  -1.043
  136    H    SER  13           H        SER  13  -5.887  -0.110   1.157
  137    HA   SER  13           HA       SER  13  -8.177  -0.139   2.906
  138   1HB   SER  13          2HB       SER  13  -5.702   1.332   2.496
  139   2HB   SER  13          1HB       SER  13  -7.017   2.415   2.946
  140    HG   SER  13           HG       SER  13  -5.896   1.470   4.751
  141    H    ALA  14           H        ALA  14  -7.483   1.324  -0.156
  142    HA   ALA  14           HA       ALA  14  -9.759   3.182  -0.036
  143   1HB   ALA  14          1HB       ALA  14  -8.914   3.931  -2.149
  144   2HB   ALA  14          2HB       ALA  14  -8.035   2.422  -2.396
  145   3HB   ALA  14          3HB       ALA  14  -7.502   3.562  -1.159
  146    H    LYS  15           H        LYS  15  -8.944   0.130  -1.558
  147    HA   LYS  15           HA       LYS  15 -11.403  -0.024  -3.120
  148   1HB   LYS  15          2HB       LYS  15  -8.987  -1.686  -2.561
  149   2HB   LYS  15          1HB       LYS  15 -10.409  -2.503  -3.210
  150   1HG   LYS  15          2HG       LYS  15  -9.009  -0.110  -4.443
  151   2HG   LYS  15          1HG       LYS  15  -8.956  -1.767  -5.045
  152   1HD   LYS  15          2HD       LYS  15 -11.692  -1.140  -4.729
  153   2HD   LYS  15          1HD       LYS  15 -10.957   0.261  -5.510
  154   1HE   LYS  15          2HE       LYS  15 -11.211  -0.955  -7.433
  155   2HE   LYS  15          1HE       LYS  15  -9.783  -1.847  -6.866
  156   1HZ   LYS  15          1HZ       LYS  15 -11.042  -3.530  -6.013
  157   2HZ   LYS  15          2HZ       LYS  15 -12.036  -3.087  -7.319
  158   3HZ   LYS  15          3HZ       LYS  15 -12.400  -2.547  -5.748
  159    H    LYS  16           H        LYS  16 -10.198  -1.396  -0.120
  160    HA   LYS  16           HA       LYS  16 -12.647  -2.971   0.331
  161   1HB   LYS  16          2HB       LYS  16 -10.074  -2.443   1.826
  162   2HB   LYS  16          1HB       LYS  16 -11.383  -3.375   2.547
  163   1HG   LYS  16          2HG       LYS  16 -11.054  -4.394  -0.065
  164   2HG   LYS  16          1HG       LYS  16  -9.428  -4.221   0.599
  165   1HD   LYS  16          2HD       LYS  16 -11.717  -5.574   2.052
  166   2HD   LYS  16          1HD       LYS  16 -10.492  -6.436   1.119
  167   1HE   LYS  16          2HE       LYS  16  -8.917  -6.189   2.752
  168   2HE   LYS  16          1HE       LYS  16  -9.392  -4.510   3.078
  169   1HZ   LYS  16          1HZ       LYS  16 -10.820  -5.145   4.657
  170   2HZ   LYS  16          2HZ       LYS  16 -10.023  -6.646   4.637
  171   3HZ   LYS  16          3HZ       LYS  16 -11.440  -6.420   3.726
  172    H    PHE  17           H        PHE  17 -14.403  -2.221   1.477
  173    HA   PHE  17           HA       PHE  17 -14.910   0.416   2.135
  174   1HB   PHE  17          2HB       PHE  17 -16.814  -0.484   3.090
  175   2HB   PHE  17          1HB       PHE  17 -16.246  -1.900   2.216
  176    HD1  PHE  17           HD1      PHE  17 -16.042  -0.202   5.539
  177    HD2  PHE  17           HD2      PHE  17 -15.749  -3.897   3.368
  178    HE1  PHE  17           HE1      PHE  17 -15.854  -1.442   7.678
  179    HE2  PHE  17           HE2      PHE  17 -15.561  -5.138   5.508
  180    HZ   PHE  17           HZ       PHE  17 -15.612  -3.909   7.663
  181   1HN   NH2  18          1HN       NH2  18 -14.342   1.793   3.891
  182   2HN   NH2  18          2HN       NH2  18 -13.368   1.318   5.196
  Start of MODEL    4
    1   1H    LYS   1          1H        LYS   1  14.825   5.418  -2.492
    2   2H    LYS   1          2H        LYS   1  14.613   6.855  -1.608
    3   3H    LYS   1          3H        LYS   1  13.416   6.338  -2.697
    4    HA   LYS   1           HA       LYS   1  14.130   5.164  -0.070
    5   1HB   LYS   1          2HB       LYS   1  11.748   6.420  -1.439
    6   2HB   LYS   1          1HB       LYS   1  11.558   5.456   0.027
    7   1HG   LYS   1          2HG       LYS   1  12.773   6.962   1.338
    8   2HG   LYS   1          1HG       LYS   1  13.604   7.653  -0.056
    9   1HD   LYS   1          2HD       LYS   1  11.866   9.184   0.864
   10   2HD   LYS   1          1HD       LYS   1  11.536   8.719  -0.805
   11   1HE   LYS   1          2HE       LYS   1   9.470   8.119  -0.050
   12   2HE   LYS   1          1HE       LYS   1  10.283   6.716   0.672
   13   1HZ   LYS   1          1HZ       LYS   1  10.902   8.446   2.497
   14   2HZ   LYS   1          2HZ       LYS   1   9.380   7.693   2.526
   15   3HZ   LYS   1          3HZ       LYS   1   9.539   9.274   1.918
   16    H    TRP   2           H        TRP   2  14.216   2.956  -0.102
   17    HA   TRP   2           HA       TRP   2  12.890   1.481  -2.321
   18   1HB   TRP   2          2HB       TRP   2  15.357   1.315  -1.239
   19   2HB   TRP   2          1HB       TRP   2  14.526   0.148  -0.212
   20    HD1  TRP   2           HD1      TRP   2  12.653  -1.339  -2.052
   21    HE1  TRP   2           HE1      TRP   2  13.491  -2.743  -4.046
   22    HE3  TRP   2           HE3      TRP   2  17.237   0.799  -2.774
   23    HZ2  TRP   2           HZ2      TRP   2  15.796  -2.933  -5.726
   24    HZ3  TRP   2           HZ3      TRP   2  18.733  -0.015  -4.578
   25    HH2  TRP   2           HH2      TRP   2  18.018  -1.875  -6.053
   26    H    LYS   3           H        LYS   3  10.679   1.488  -1.626
   27    HA   LYS   3           HA       LYS   3  10.051  -0.443   0.511
   28   1HB   LYS   3          2HB       LYS   3  10.486   2.034   1.350
   29   2HB   LYS   3          1HB       LYS   3   8.832   2.270   0.784
   30   1HG   LYS   3          2HG       LYS   3   7.944   1.009   2.458
   31   2HG   LYS   3          1HG       LYS   3   9.248  -0.177   2.382
   32   1HD   LYS   3          2HD       LYS   3  10.747   1.469   3.524
   33   2HD   LYS   3          1HD       LYS   3   9.362   2.547   3.707
   34   1HE   LYS   3          2HE       LYS   3   8.244   0.376   4.780
   35   2HE   LYS   3          1HE       LYS   3   9.938  -0.044   5.098
   36   1HZ   LYS   3          1HZ       LYS   3   9.578   2.695   5.609
   37   2HZ   LYS   3          2HZ       LYS   3   9.997   1.466   6.705
   38   3HZ   LYS   3          3HZ       LYS   3   8.363   1.847   6.436
   39    H    LEU   4           H        LEU   4   9.185  -1.325  -1.612
   40    HA   LEU   4           HA       LEU   4   6.800  -0.011  -2.739
   41   1HB   LEU   4          2HB       LEU   4   8.326  -2.581  -3.219
   42   2HB   LEU   4          1HB       LEU   4   6.839  -2.201  -4.090
   43    HG   LEU   4           HG       LEU   4   8.501   0.115  -4.163
   44   1HD1  LEU   4          1HD1      LEU   4  10.595  -0.703  -4.262
   45   2HD1  LEU   4          2HD1      LEU   4  10.135  -1.595  -5.712
   46   3HD1  LEU   4          3HD1      LEU   4   9.995  -2.356  -4.127
   47   1HD2  LEU   4          1HD2      LEU   4   8.491  -0.556  -6.661
   48   2HD2  LEU   4          2HD2      LEU   4   6.927  -0.283  -5.893
   49   3HD2  LEU   4          3HD2      LEU   4   7.506  -1.928  -6.154
   50    H    PHE   5           H        PHE   5   7.258  -1.644   0.081
   51    HA   PHE   5           HA       PHE   5   4.926  -3.442  -0.096
   52   1HB   PHE   5          2HB       PHE   5   7.263  -2.981   1.608
   53   2HB   PHE   5          1HB       PHE   5   5.804  -3.363   2.524
   54    HD1  PHE   5           HD1      PHE   5   7.656  -4.481  -0.536
   55    HD2  PHE   5           HD2      PHE   5   5.227  -5.608   2.821
   56    HE1  PHE   5           HE1      PHE   5   7.890  -6.866  -1.171
   57    HE2  PHE   5           HE2      PHE   5   5.459  -7.995   2.187
   58    HZ   PHE   5           HZ       PHE   5   6.791  -8.624   0.191
   59    H    LYS   6           H        LYS   6   5.624  -0.230   0.927
   60    HA   LYS   6           HA       LYS   6   3.367  -0.015   2.786
   61   1HB   LYS   6          2HB       LYS   6   4.130   2.248   3.015
   62   2HB   LYS   6          1HB       LYS   6   5.580   1.260   2.831
   63   1HG   LYS   6          2HG       LYS   6   6.151   2.604   1.114
   64   2HG   LYS   6          1HG       LYS   6   4.823   1.876   0.211
   65   1HD   LYS   6          2HD       LYS   6   3.279   3.584   1.099
   66   2HD   LYS   6          1HD       LYS   6   4.610   4.317   1.996
   67   1HE   LYS   6          2HE       LYS   6   5.215   3.923  -0.858
   68   2HE   LYS   6          1HE       LYS   6   3.878   5.052  -0.558
   69   1HZ   LYS   6          1HZ       LYS   6   5.315   6.041   1.221
   70   2HZ   LYS   6          2HZ       LYS   6   5.862   6.303  -0.366
   71   3HZ   LYS   6          3HZ       LYS   6   6.605   5.125   0.608
   72    H    LYS   7           H        LYS   7   3.492  -0.307  -0.503
   73    HA   LYS   7           HA       LYS   7   1.231   1.589  -0.978
   74   1HB   LYS   7          2HB       LYS   7   3.171   1.833  -2.445
   75   2HB   LYS   7          1HB       LYS   7   3.128   0.112  -2.830
   76   1HG   LYS   7          2HG       LYS   7   0.866   0.409  -3.815
   77   2HG   LYS   7          1HG       LYS   7   0.968   2.138  -3.482
   78   1HD   LYS   7          2HD       LYS   7   3.346   1.249  -4.871
   79   2HD   LYS   7          1HD       LYS   7   1.902   0.798  -5.779
   80   1HE   LYS   7          2HE       LYS   7   1.342   2.983  -6.224
   81   2HE   LYS   7          1HE       LYS   7   1.914   3.551  -4.643
   82   1HZ   LYS   7          1HZ       LYS   7   3.978   3.871  -5.413
   83   2HZ   LYS   7          2HZ       LYS   7   3.280   3.827  -6.961
   84   3HZ   LYS   7          3HZ       LYS   7   3.985   2.428  -6.305
   85    H    ILE   8           H        ILE   8   1.982  -1.679  -0.477
   86    HA   ILE   8           HA       ILE   8  -0.120  -2.878  -2.080
   87    HB   ILE   8           HB       ILE   8   1.762  -3.710   0.115
   88   1HG1  ILE   8          2HG1      ILE   8   1.310  -4.620  -2.745
   89   2HG1  ILE   8          1HG1      ILE   8   2.622  -3.586  -2.179
   90   1HG2  ILE   8          1HG2      ILE   8   0.855  -5.996   0.001
   91   2HG2  ILE   8          2HG2      ILE   8  -0.407  -5.450  -1.106
   92   3HG2  ILE   8          3HG2      ILE   8  -0.381  -4.870   0.560
   93   1HD1  ILE   8          1HD1      ILE   8   2.236  -6.520  -1.831
   94   2HD1  ILE   8          2HD1      ILE   8   2.975  -5.643  -0.492
   95   3HD1  ILE   8          3HD1      ILE   8   3.722  -5.606  -2.089
   96    H    LYS   9           H        LYS   9   0.260  -2.014   1.312
   97    HA   LYS   9           HA       LYS   9  -2.281  -2.945   2.214
   98   1HB   LYS   9          2HB       LYS   9  -0.987  -2.414   4.026
   99   2HB   LYS   9          1HB       LYS   9  -0.053  -1.238   3.105
  100   1HG   LYS   9          2HG       LYS   9  -2.875  -0.661   4.028
  101   2HG   LYS   9          1HG       LYS   9  -1.470  -0.319   5.040
  102   1HD   LYS   9          2HD       LYS   9  -0.797   0.701   2.522
  103   2HD   LYS   9          1HD       LYS   9  -2.484   1.159   2.753
  104   1HE   LYS   9          2HE       LYS   9  -1.916   2.725   4.292
  105   2HE   LYS   9          1HE       LYS   9  -0.945   1.550   5.201
  106   1HZ   LYS   9          1HZ       LYS   9   0.913   2.283   4.249
  107   2HZ   LYS   9          2HZ       LYS   9   0.022   3.581   3.616
  108   3HZ   LYS   9          3HZ       LYS   9   0.255   2.178   2.691
  109    H    PHE  10           H        PHE  10  -1.201  -0.008   0.673
  110    HA   PHE  10           HA       PHE  10  -3.587   1.551   1.012
  111   1HB   PHE  10          2HB       PHE  10  -1.032   1.845  -0.064
  112   2HB   PHE  10          1HB       PHE  10  -2.101   2.023  -1.456
  113    HD1  PHE  10           HD1      PHE  10  -4.384   3.402  -0.761
  114    HD2  PHE  10           HD2      PHE  10  -0.491   3.844   1.000
  115    HE1  PHE  10           HE1      PHE  10  -4.977   5.694  -0.022
  116    HE2  PHE  10           HE2      PHE  10  -1.084   6.136   1.738
  117    HZ   PHE  10           HZ       PHE  10  -3.328   7.061   1.226
  118    H    LEU  11           H        LEU  11  -2.784  -1.082  -1.062
  119    HA   LEU  11           HA       LEU  11  -4.761  -0.522  -3.130
  120   1HB   LEU  11          2HB       LEU  11  -3.088  -2.878  -2.266
  121   2HB   LEU  11          1HB       LEU  11  -4.305  -3.061  -3.528
  122    HG   LEU  11           HG       LEU  11  -2.162  -0.925  -3.601
  123   1HD1  LEU  11          1HD1      LEU  11  -2.122  -3.440  -5.255
  124   2HD1  LEU  11          2HD1      LEU  11  -1.404  -3.429  -3.645
  125   3HD1  LEU  11          3HD1      LEU  11  -0.797  -2.335  -4.888
  126   1HD2  LEU  11          1HD2      LEU  11  -3.971  -0.338  -5.026
  127   2HD2  LEU  11          2HD2      LEU  11  -4.216  -2.010  -5.536
  128   3HD2  LEU  11          3HD2      LEU  11  -2.802  -1.114  -6.096
  129    H    HIS  12           H        HIS  12  -5.003  -1.449   0.089
  130    HA   HIS  12           HA       HIS  12  -7.569  -2.897  -0.348
  131   1HB   HIS  12          2HB       HIS  12  -5.319  -3.001   1.560
  132   2HB   HIS  12          1HB       HIS  12  -6.911  -3.159   2.295
  133    HD1  HIS  12           HD1      HIS  12  -7.358  -5.609   2.577
  134    HD2  HIS  12           HD2      HIS  12  -5.559  -4.779  -1.092
  135    HE1  HIS  12           HE1      HIS  12  -7.247  -7.805   1.317
  136    H    SER  13           H        SER  13  -6.049  -0.168   1.200
  137    HA   SER  13           HA       SER  13  -8.510   0.694   2.570
  138   1HB   SER  13          2HB       SER  13  -6.998   1.845   3.810
  139   2HB   SER  13          1HB       SER  13  -5.752   1.012   2.886
  140    HG   SER  13           HG       SER  13  -5.478   2.750   1.663
  141    H    ALA  14           H        ALA  14  -7.294   0.921  -0.558
  142    HA   ALA  14           HA       ALA  14  -8.132   3.637  -1.185
  143   1HB   ALA  14          1HB       ALA  14  -6.472   2.866  -2.606
  144   2HB   ALA  14          2HB       ALA  14  -7.893   2.460  -3.570
  145   3HB   ALA  14          3HB       ALA  14  -7.102   1.219  -2.598
  146    H    LYS  15           H        LYS  15  -9.454   0.418  -1.668
  147    HA   LYS  15           HA       LYS  15 -11.924   1.445  -2.896
  148   1HB   LYS  15          2HB       LYS  15 -11.005  -1.313  -2.021
  149   2HB   LYS  15          1HB       LYS  15 -12.454  -0.989  -2.973
  150   1HG   LYS  15          2HG       LYS  15 -11.053  -1.315  -4.745
  151   2HG   LYS  15          1HG       LYS  15 -10.594   0.360  -4.430
  152   1HD   LYS  15          2HD       LYS  15  -8.632  -0.249  -3.306
  153   2HD   LYS  15          1HD       LYS  15  -9.217  -1.877  -2.963
  154   1HE   LYS  15          2HE       LYS  15  -7.601  -2.131  -4.719
  155   2HE   LYS  15          1HE       LYS  15  -9.179  -2.240  -5.523
  156   1HZ   LYS  15          1HZ       LYS  15  -7.896   0.382  -5.120
  157   2HZ   LYS  15          2HZ       LYS  15  -9.049  -0.078  -6.282
  158   3HZ   LYS  15          3HZ       LYS  15  -7.434  -0.588  -6.434
  159    H    LYS  16           H        LYS  16 -12.430  -1.161  -0.752
  160    HA   LYS  16           HA       LYS  16 -14.491   0.081   0.734
  161   1HB   LYS  16          2HB       LYS  16 -12.780  -2.347   0.898
  162   2HB   LYS  16          1HB       LYS  16 -13.627  -1.894   2.377
  163   1HG   LYS  16          2HG       LYS  16 -15.764  -1.908   1.220
  164   2HG   LYS  16          1HG       LYS  16 -14.966  -2.201  -0.325
  165   1HD   LYS  16          2HD       LYS  16 -13.981  -4.240   1.265
  166   2HD   LYS  16          1HD       LYS  16 -15.653  -4.094   1.807
  167   1HE   LYS  16          2HE       LYS  16 -14.930  -4.218  -1.132
  168   2HE   LYS  16          1HE       LYS  16 -15.280  -5.672  -0.177
  169   1HZ   LYS  16          1HZ       LYS  16 -17.190  -4.270  -1.343
  170   2HZ   LYS  16          2HZ       LYS  16 -17.102  -3.414   0.123
  171   3HZ   LYS  16          3HZ       LYS  16 -17.432  -5.080   0.127
  172    H    PHE  17           H        PHE  17 -13.881  -0.377   3.441
  173    HA   PHE  17           HA       PHE  17 -12.359   2.033   4.090
  174   1HB   PHE  17          2HB       PHE  17 -14.490   0.824   5.145
  175   2HB   PHE  17          1HB       PHE  17 -13.257   0.002   6.095
  176    HD1  PHE  17           HD1      PHE  17 -11.384   1.584   7.109
  177    HD2  PHE  17           HD2      PHE  17 -15.297   2.879   5.904
  178    HE1  PHE  17           HE1      PHE  17 -11.173   3.578   8.568
  179    HE2  PHE  17           HE2      PHE  17 -15.087   4.874   7.363
  180    HZ   PHE  17           HZ       PHE  17 -13.024   5.224   8.695
  181   1HN   NH2  18          1HN       NH2  18 -11.959  -1.468   4.923
  182   2HN   NH2  18          2HN       NH2  18 -10.282  -1.375   5.177
  Start of MODEL    5
    1   1H    LYS   1          1H        LYS   1  11.130  -0.451   4.088
    2   2H    LYS   1          2H        LYS   1  10.815   0.968   4.968
    3   3H    LYS   1          3H        LYS   1  12.415   0.443   4.741
    4    HA   LYS   1           HA       LYS   1  10.592   1.724   2.806
    5   1HB   LYS   1          2HB       LYS   1  13.553   2.018   3.385
    6   2HB   LYS   1          1HB       LYS   1  12.493   3.178   2.586
    7   1HG   LYS   1          2HG       LYS   1  11.189   3.394   4.703
    8   2HG   LYS   1          1HG       LYS   1  12.347   2.321   5.491
    9   1HD   LYS   1          2HD       LYS   1  13.341   4.323   6.026
   10   2HD   LYS   1          1HD       LYS   1  14.076   4.091   4.439
   11   1HE   LYS   1          2HE       LYS   1  11.427   5.518   4.697
   12   2HE   LYS   1          1HE       LYS   1  12.958   6.391   4.911
   13   1HZ   LYS   1          1HZ       LYS   1  11.952   4.971   2.535
   14   2HZ   LYS   1          2HZ       LYS   1  13.627   5.106   2.782
   15   3HZ   LYS   1          3HZ       LYS   1  12.671   6.502   2.639
   16    H    TRP   2           H        TRP   2  10.247  -0.285   1.532
   17    HA   TRP   2           HA       TRP   2  12.709  -1.200   0.082
   18   1HB   TRP   2          2HB       TRP   2  11.651  -2.975   1.311
   19   2HB   TRP   2          1HB       TRP   2  10.053  -2.504   0.730
   20    HD1  TRP   2           HD1      TRP   2   9.245  -4.199  -0.976
   21    HE1  TRP   2           HE1      TRP   2  10.292  -5.482  -2.951
   22    HE3  TRP   2           HE3      TRP   2  14.090  -2.628  -0.580
   23    HZ2  TRP   2           HZ2      TRP   2  12.848  -5.799  -4.198
   24    HZ3  TRP   2           HZ3      TRP   2  15.808  -3.438  -2.171
   25    HH2  TRP   2           HH2      TRP   2  15.193  -5.021  -3.979
   26    H    LYS   3           H        LYS   3   9.448  -1.863  -1.018
   27    HA   LYS   3           HA       LYS   3   9.721   0.184  -3.170
   28   1HB   LYS   3          2HB       LYS   3   9.437  -2.811  -3.429
   29   2HB   LYS   3          1HB       LYS   3   9.069  -1.713  -4.760
   30   1HG   LYS   3          2HG       LYS   3  11.690  -1.438  -3.324
   31   2HG   LYS   3          1HG       LYS   3  11.496  -2.719  -4.523
   32   1HD   LYS   3          2HD       LYS   3  10.424  -0.604  -5.869
   33   2HD   LYS   3          1HD       LYS   3  11.653   0.212  -4.902
   34   1HE   LYS   3          2HE       LYS   3  13.241  -0.518  -6.340
   35   2HE   LYS   3          1HE       LYS   3  12.809  -2.195  -5.946
   36   1HZ   LYS   3          1HZ       LYS   3  12.445  -1.214  -8.357
   37   2HZ   LYS   3          2HZ       LYS   3  10.985  -0.687  -7.664
   38   3HZ   LYS   3          3HZ       LYS   3  11.371  -2.341  -7.684
   39    H    LEU   4           H        LEU   4   7.434  -2.339  -3.605
   40    HA   LEU   4           HA       LEU   4   5.219  -0.438  -3.296
   41   1HB   LEU   4          2HB       LEU   4   5.489  -3.316  -4.191
   42   2HB   LEU   4          1HB       LEU   4   3.947  -2.461  -4.167
   43    HG   LEU   4           HG       LEU   4   5.341  -0.628  -5.502
   44   1HD1  LEU   4          1HD1      LEU   4   7.462  -1.403  -5.824
   45   2HD1  LEU   4          2HD1      LEU   4   6.723  -2.328  -7.130
   46   3HD1  LEU   4          3HD1      LEU   4   6.994  -3.081  -5.559
   47   1HD2  LEU   4          1HD2      LEU   4   4.580  -1.733  -7.609
   48   2HD2  LEU   4          2HD2      LEU   4   3.338  -1.744  -6.357
   49   3HD2  LEU   4          3HD2      LEU   4   4.266  -3.207  -6.690
   50    H    PHE   5           H        PHE   5   6.799  -2.258  -1.018
   51    HA   PHE   5           HA       PHE   5   4.772  -3.683   0.360
   52   1HB   PHE   5          2HB       PHE   5   7.275  -3.591   0.801
   53   2HB   PHE   5          1HB       PHE   5   7.002  -2.037   1.585
   54    HD1  PHE   5           HD1      PHE   5   4.097  -3.918   2.106
   55    HD2  PHE   5           HD2      PHE   5   8.178  -3.648   3.428
   56    HE1  PHE   5           HE1      PHE   5   3.496  -5.085   4.208
   57    HE2  PHE   5           HE2      PHE   5   7.574  -4.814   5.529
   58    HZ   PHE   5           HZ       PHE   5   5.233  -5.534   5.920
   59    H    LYS   6           H        LYS   6   5.735  -0.310   0.626
   60    HA   LYS   6           HA       LYS   6   3.630   0.381   2.527
   61   1HB   LYS   6          2HB       LYS   6   4.464   2.704   1.969
   62   2HB   LYS   6          1HB       LYS   6   5.736   1.592   2.477
   63   1HG   LYS   6          2HG       LYS   6   6.541   1.314   0.279
   64   2HG   LYS   6          1HG       LYS   6   5.051   1.925  -0.440
   65   1HD   LYS   6          2HD       LYS   6   6.365   3.807  -0.665
   66   2HD   LYS   6          1HD       LYS   6   5.724   4.105   0.951
   67   1HE   LYS   6          2HE       LYS   6   7.884   2.537   1.549
   68   2HE   LYS   6          1HE       LYS   6   8.482   3.420   0.130
   69   1HZ   LYS   6          1HZ       LYS   6   7.794   5.483   1.119
   70   2HZ   LYS   6          2HZ       LYS   6   8.795   4.665   2.220
   71   3HZ   LYS   6          3HZ       LYS   6   7.111   4.678   2.447
   72    H    LYS   7           H        LYS   7   3.532  -0.435  -0.684
   73    HA   LYS   7           HA       LYS   7   1.414   1.517  -1.425
   74   1HB   LYS   7          2HB       LYS   7   3.553   0.205  -2.729
   75   2HB   LYS   7          1HB       LYS   7   2.079  -0.498  -3.395
   76   1HG   LYS   7          2HG       LYS   7   1.217   1.785  -3.847
   77   2HG   LYS   7          1HG       LYS   7   2.734   2.457  -3.245
   78   1HD   LYS   7          2HD       LYS   7   3.812   0.804  -4.998
   79   2HD   LYS   7          1HD       LYS   7   2.222   0.901  -5.757
   80   1HE   LYS   7          2HE       LYS   7   2.478   3.130  -6.322
   81   2HE   LYS   7          1HE       LYS   7   3.510   3.471  -4.919
   82   1HZ   LYS   7          1HZ       LYS   7   4.691   1.494  -6.581
   83   2HZ   LYS   7          2HZ       LYS   7   5.319   2.996  -6.094
   84   3HZ   LYS   7          3HZ       LYS   7   4.354   2.886  -7.487
   85    H    ILE   8           H        ILE   8   1.765  -1.554  -0.076
   86    HA   ILE   8           HA       ILE   8  -0.617  -2.772  -1.273
   87    HB   ILE   8           HB       ILE   8   1.429  -3.485   0.820
   88   1HG1  ILE   8          2HG1      ILE   8   0.582  -4.676  -1.839
   89   2HG1  ILE   8          1HG1      ILE   8   2.074  -3.794  -1.507
   90   1HG2  ILE   8          1HG2      ILE   8   0.251  -5.694   1.012
   91   2HG2  ILE   8          2HG2      ILE   8  -1.098  -5.011   0.104
   92   3HG2  ILE   8          3HG2      ILE   8  -0.678  -4.357   1.688
   93   1HD1  ILE   8          1HD1      ILE   8   1.258  -6.422  -0.231
   94   2HD1  ILE   8          2HD1      ILE   8   2.745  -5.537   0.110
   95   3HD1  ILE   8          3HD1      ILE   8   2.478  -6.227  -1.491
   96    H    LYS   9           H        LYS   9   0.302  -1.945   2.037
   97    HA   LYS   9           HA       LYS   9  -2.102  -2.287   3.366
   98   1HB   LYS   9          2HB       LYS   9  -1.244  -0.419   4.849
   99   2HB   LYS   9          1HB       LYS   9  -0.067  -1.686   4.504
  100   1HG   LYS   9          2HG       LYS   9   1.177   0.249   4.091
  101   2HG   LYS   9          1HG       LYS   9   0.591  -0.155   2.479
  102   1HD   LYS   9          2HD       LYS   9  -0.280   1.924   2.395
  103   2HD   LYS   9          1HD       LYS   9  -1.461   1.384   3.587
  104   1HE   LYS   9          2HE       LYS   9  -0.413   3.361   4.499
  105   2HE   LYS   9          1HE       LYS   9   0.274   1.979   5.378
  106   1HZ   LYS   9          1HZ       LYS   9   1.460   3.221   2.951
  107   2HZ   LYS   9          2HZ       LYS   9   2.116   1.928   3.838
  108   3HZ   LYS   9          3HZ       LYS   9   2.009   3.473   4.535
  109    H    PHE  10           H        PHE  10  -1.245   0.339   1.226
  110    HA   PHE  10           HA       PHE  10  -3.759   1.783   1.858
  111   1HB   PHE  10          2HB       PHE  10  -1.880   3.198   1.738
  112   2HB   PHE  10          1HB       PHE  10  -1.217   2.343   0.345
  113    HD1  PHE  10           HD1      PHE  10  -3.620   4.874   1.481
  114    HD2  PHE  10           HD2      PHE  10  -2.134   2.700  -1.912
  115    HE1  PHE  10           HE1      PHE  10  -4.725   6.493  -0.039
  116    HE2  PHE  10           HE2      PHE  10  -3.241   4.319  -3.433
  117    HZ   PHE  10           HZ       PHE  10  -4.535   6.215  -2.496
  118    H    LEU  11           H        LEU  11  -2.460  -0.358  -0.499
  119    HA   LEU  11           HA       LEU  11  -4.322   0.417  -2.638
  120   1HB   LEU  11          2HB       LEU  11  -2.115  -1.541  -2.184
  121   2HB   LEU  11          1HB       LEU  11  -3.280  -1.916  -3.454
  122    HG   LEU  11           HG       LEU  11  -1.819   0.730  -3.222
  123   1HD1  LEU  11          1HD1      LEU  11  -0.246  -0.034  -4.770
  124   2HD1  LEU  11          2HD1      LEU  11  -1.293  -1.334  -5.341
  125   3HD1  LEU  11          3HD1      LEU  11  -0.488  -1.472  -3.779
  126   1HD2  LEU  11          1HD2      LEU  11  -2.973  -0.207  -5.780
  127   2HD2  LEU  11          2HD2      LEU  11  -3.011   1.398  -5.050
  128   3HD2  LEU  11          3HD2      LEU  11  -4.156   0.165  -4.526
  129    H    HIS  12           H        HIS  12  -4.942  -0.971   0.214
  130    HA   HIS  12           HA       HIS  12  -6.831  -2.990  -0.921
  131   1HB   HIS  12          2HB       HIS  12  -4.919  -2.968   1.262
  132   2HB   HIS  12          1HB       HIS  12  -6.531  -3.405   1.828
  133    HD1  HIS  12           HD1      HIS  12  -6.536  -5.911   1.925
  134    HD2  HIS  12           HD2      HIS  12  -4.803  -4.491  -1.591
  135    HE1  HIS  12           HE1      HIS  12  -6.053  -7.945   0.494
  136    H    SER  13           H        SER  13  -6.448  -0.549   1.592
  137    HA   SER  13           HA       SER  13  -9.324  -0.546   2.193
  138   1HB   SER  13          2HB       SER  13  -7.518  -0.249   3.894
  139   2HB   SER  13          1HB       SER  13  -7.069   1.264   3.109
  140    HG   SER  13           HG       SER  13  -8.601   2.148   4.226
  141    H    ALA  14           H        ALA  14  -7.194   1.070   0.053
  142    HA   ALA  14           HA       ALA  14  -8.852   3.480  -0.221
  143   1HB   ALA  14          1HB       ALA  14  -6.407   3.560  -0.415
  144   2HB   ALA  14          2HB       ALA  14  -7.140   4.014  -1.954
  145   3HB   ALA  14          3HB       ALA  14  -6.465   2.398  -1.741
  146    H    LYS  15           H        LYS  15  -8.375   0.438  -1.849
  147    HA   LYS  15           HA       LYS  15  -9.977   1.207  -4.195
  148   1HB   LYS  15          2HB       LYS  15  -8.750  -1.397  -3.235
  149   2HB   LYS  15          1HB       LYS  15  -9.505  -1.172  -4.814
  150   1HG   LYS  15          2HG       LYS  15  -7.147   0.432  -3.776
  151   2HG   LYS  15          1HG       LYS  15  -7.033  -0.907  -4.920
  152   1HD   LYS  15          2HD       LYS  15  -8.688   0.398  -6.381
  153   2HD   LYS  15          1HD       LYS  15  -8.373   1.773  -5.323
  154   1HE   LYS  15          2HE       LYS  15  -5.943   1.598  -5.832
  155   2HE   LYS  15          1HE       LYS  15  -6.292   0.261  -6.945
  156   1HZ   LYS  15          1HZ       LYS  15  -7.583   2.932  -7.104
  157   2HZ   LYS  15          2HZ       LYS  15  -7.715   1.663  -8.226
  158   3HZ   LYS  15          3HZ       LYS  15  -6.239   2.483  -8.035
  159    H    LYS  16           H        LYS  16 -12.093   0.501  -4.609
  160    HA   LYS  16           HA       LYS  16 -13.970   0.182  -2.568
  161   1HB   LYS  16          2HB       LYS  16 -13.818  -0.803  -5.424
  162   2HB   LYS  16          1HB       LYS  16 -15.278  -1.002  -4.457
  163   1HG   LYS  16          2HG       LYS  16 -15.768   1.235  -4.489
  164   2HG   LYS  16          1HG       LYS  16 -14.070   1.712  -4.462
  165   1HD   LYS  16          2HD       LYS  16 -13.826   1.472  -6.771
  166   2HD   LYS  16          1HD       LYS  16 -15.180   0.348  -6.896
  167   1HE   LYS  16          2HE       LYS  16 -16.061   2.924  -5.855
  168   2HE   LYS  16          1HE       LYS  16 -15.278   3.093  -7.440
  169   1HZ   LYS  16          1HZ       LYS  16 -17.436   1.176  -6.728
  170   2HZ   LYS  16          2HZ       LYS  16 -16.609   1.187  -8.212
  171   3HZ   LYS  16          3HZ       LYS  16 -17.578   2.510  -7.764
  172    H    PHE  17           H        PHE  17 -14.834  -1.629  -1.458
  173    HA   PHE  17           HA       PHE  17 -13.423  -4.240  -1.907
  174   1HB   PHE  17          2HB       PHE  17 -12.737  -2.837   0.115
  175   2HB   PHE  17          1HB       PHE  17 -14.362  -3.116   0.744
  176    HD1  PHE  17           HD1      PHE  17 -14.550  -4.862   2.261
  177    HD2  PHE  17           HD2      PHE  17 -11.665  -5.151  -0.909
  178    HE1  PHE  17           HE1      PHE  17 -13.851  -7.089   3.100
  179    HE2  PHE  17           HE2      PHE  17 -10.966  -7.377  -0.069
  180    HZ   PHE  17           HZ       PHE  17 -12.059  -8.346   1.935
  181   1HN   NH2  18          1HN       NH2  18 -15.566  -4.494  -3.287
  182   2HN   NH2  18          2HN       NH2  18 -16.928  -5.068  -2.453
  Start of MODEL    6
    1   1H    LYS   1          1H        LYS   1   7.088   4.169   5.732
    2   2H    LYS   1          2H        LYS   1   6.393   5.549   5.024
    3   3H    LYS   1          3H        LYS   1   7.735   5.703   6.054
    4    HA   LYS   1           HA       LYS   1   7.635   4.781   3.261
    5   1HB   LYS   1          2HB       LYS   1   8.731   6.889   4.955
    6   2HB   LYS   1          1HB       LYS   1   9.979   6.148   3.954
    7   1HG   LYS   1          2HG       LYS   1   8.728   6.589   1.939
    8   2HG   LYS   1          1HG       LYS   1   7.321   7.115   2.867
    9   1HD   LYS   1          2HD       LYS   1   8.516   9.083   2.069
   10   2HD   LYS   1          1HD       LYS   1   8.703   8.970   3.819
   11   1HE   LYS   1          2HE       LYS   1  10.908   9.406   3.047
   12   2HE   LYS   1          1HE       LYS   1  10.891   7.645   3.265
   13   1HZ   LYS   1          1HZ       LYS   1  10.431   9.146   0.745
   14   2HZ   LYS   1          2HZ       LYS   1  10.128   7.483   0.916
   15   3HZ   LYS   1          3HZ       LYS   1  11.708   8.084   1.084
   16    H    TRP   2           H        TRP   2   7.849   2.445   3.995
   17    HA   TRP   2           HA       TRP   2  10.606   1.798   4.983
   18   1HB   TRP   2          2HB       TRP   2   8.479  -0.282   4.779
   19   2HB   TRP   2          1HB       TRP   2   9.652  -0.007   6.063
   20    HD1  TRP   2           HD1      TRP   2   6.126   0.076   5.624
   21    HE1  TRP   2           HE1      TRP   2   4.960   1.720   7.232
   22    HE3  TRP   2           HE3      TRP   2  10.150   2.831   7.138
   23    HZ2  TRP   2           HZ2      TRP   2   5.645   3.914   8.934
   24    HZ3  TRP   2           HZ3      TRP   2   9.866   4.689   8.751
   25    HH2  TRP   2           HH2      TRP   2   7.621   5.234   9.649
   26    H    LYS   3           H        LYS   3   8.199   0.104   2.961
   27    HA   LYS   3           HA       LYS   3  10.190  -0.068   0.750
   28   1HB   LYS   3          2HB       LYS   3   9.107  -2.254   2.489
   29   2HB   LYS   3          1HB       LYS   3   9.368  -2.612   0.781
   30   1HG   LYS   3          2HG       LYS   3  11.436  -1.528   2.717
   31   2HG   LYS   3          1HG       LYS   3  11.388  -3.160   2.045
   32   1HD   LYS   3          2HD       LYS   3  11.268  -1.608  -0.223
   33   2HD   LYS   3          1HD       LYS   3  12.331  -0.658   0.815
   34   1HE   LYS   3          2HE       LYS   3  13.163  -3.340   1.136
   35   2HE   LYS   3          1HE       LYS   3  12.932  -3.102  -0.608
   36   1HZ   LYS   3          1HZ       LYS   3  15.147  -2.361   0.313
   37   2HZ   LYS   3          2HZ       LYS   3  14.308  -1.115   1.108
   38   3HZ   LYS   3          3HZ       LYS   3  14.299  -1.202  -0.589
   39    H    LEU   4           H        LEU   4   8.776  -1.817  -0.884
   40    HA   LEU   4           HA       LEU   4   6.715  -0.184  -1.978
   41   1HB   LEU   4          2HB       LEU   4   7.911  -2.841  -2.364
   42   2HB   LEU   4          1HB       LEU   4   6.219  -2.760  -2.859
   43    HG   LEU   4           HG       LEU   4   8.120  -0.583  -3.689
   44   1HD1  LEU   4          1HD1      LEU   4   8.568  -3.278  -4.311
   45   2HD1  LEU   4          2HD1      LEU   4   9.227  -1.883  -5.166
   46   3HD1  LEU   4          3HD1      LEU   4   7.731  -2.631  -5.722
   47   1HD2  LEU   4          1HD2      LEU   4   6.361  -1.183  -5.738
   48   2HD2  LEU   4          2HD2      LEU   4   6.122   0.083  -4.536
   49   3HD2  LEU   4          3HD2      LEU   4   5.399  -1.507  -4.297
   50    H    PHE   5           H        PHE   5   6.697  -2.240   0.729
   51    HA   PHE   5           HA       PHE   5   4.137  -3.357   0.833
   52   1HB   PHE   5          2HB       PHE   5   6.208  -3.294   2.466
   53   2HB   PHE   5          1HB       PHE   5   5.337  -1.946   3.197
   54    HD1  PHE   5           HD1      PHE   5   4.772  -5.467   2.018
   55    HD2  PHE   5           HD2      PHE   5   3.717  -2.378   4.812
   56    HE1  PHE   5           HE1      PHE   5   3.305  -7.062   3.228
   57    HE2  PHE   5           HE2      PHE   5   2.250  -3.972   6.019
   58    HZ   PHE   5           HZ       PHE   5   2.046  -6.312   5.230
   59    H    LYS   6           H        LYS   6   5.083  -0.040   0.986
   60    HA   LYS   6           HA       LYS   6   2.629   0.973   2.188
   61   1HB   LYS   6          2HB       LYS   6   3.619   3.161   1.344
   62   2HB   LYS   6          1HB       LYS   6   4.683   2.219   2.390
   63   1HG   LYS   6          2HG       LYS   6   6.224   2.169   0.760
   64   2HG   LYS   6          1HG       LYS   6   5.086   1.310  -0.279
   65   1HD   LYS   6          2HD       LYS   6   4.282   4.036  -0.220
   66   2HD   LYS   6          1HD       LYS   6   6.021   4.009  -0.516
   67   1HE   LYS   6          2HE       LYS   6   4.146   2.190  -2.041
   68   2HE   LYS   6          1HE       LYS   6   4.507   3.835  -2.597
   69   1HZ   LYS   6          1HZ       LYS   6   6.589   1.851  -1.857
   70   2HZ   LYS   6          2HZ       LYS   6   6.826   3.364  -2.593
   71   3HZ   LYS   6          3HZ       LYS   6   6.070   2.108  -3.452
   72    H    LYS   7           H        LYS   7   3.203  -0.439  -0.765
   73    HA   LYS   7           HA       LYS   7   1.226   1.276  -2.203
   74   1HB   LYS   7          2HB       LYS   7   3.508   0.855  -3.170
   75   2HB   LYS   7          1HB       LYS   7   3.115  -0.863  -3.230
   76   1HG   LYS   7          2HG       LYS   7   0.939   0.151  -4.485
   77   2HG   LYS   7          1HG       LYS   7   2.141   1.363  -4.934
   78   1HD   LYS   7          2HD       LYS   7   2.986  -1.481  -5.148
   79   2HD   LYS   7          1HD       LYS   7   1.800  -0.922  -6.328
   80   1HE   LYS   7          2HE       LYS   7   4.441   0.476  -5.754
   81   2HE   LYS   7          1HE       LYS   7   4.133  -0.580  -7.146
   82   1HZ   LYS   7          1HZ       LYS   7   3.206   2.110  -6.647
   83   2HZ   LYS   7          2HZ       LYS   7   1.985   1.047  -7.167
   84   3HZ   LYS   7          3HZ       LYS   7   3.375   1.279  -8.115
   85    H    ILE   8           H        ILE   8   1.738  -1.817  -0.783
   86    HA   ILE   8           HA       ILE   8  -0.474  -3.120  -2.216
   87    HB   ILE   8           HB       ILE   8   1.108  -4.033   0.200
   88   1HG1  ILE   8          2HG1      ILE   8   2.543  -3.304  -1.755
   89   2HG1  ILE   8          1HG1      ILE   8   2.709  -5.008  -1.328
   90   1HG2  ILE   8          1HG2      ILE   8  -0.898  -5.364  -0.308
   91   2HG2  ILE   8          2HG2      ILE   8   0.559  -6.285  -0.679
   92   3HG2  ILE   8          3HG2      ILE   8  -0.369  -5.542  -1.981
   93   1HD1  ILE   8          1HD1      ILE   8   0.997  -5.541  -3.093
   94   2HD1  ILE   8          2HD1      ILE   8   2.494  -4.864  -3.733
   95   3HD1  ILE   8          3HD1      ILE   8   1.057  -3.849  -3.588
   96    H    LYS   9           H        LYS   9  -0.007  -1.329   0.698
   97    HA   LYS   9           HA       LYS   9  -2.431  -2.324   2.002
   98   1HB   LYS   9          2HB       LYS   9  -1.855  -0.699   3.705
   99   2HB   LYS   9          1HB       LYS   9  -0.357  -1.450   3.162
  100   1HG   LYS   9          2HG       LYS   9   0.155   0.851   3.183
  101   2HG   LYS   9          1HG       LYS   9  -0.212   0.527   1.489
  102   1HD   LYS   9          2HD       LYS   9  -1.763   2.160   1.594
  103   2HD   LYS   9          1HD       LYS   9  -2.692   1.125   2.678
  104   1HE   LYS   9          2HE       LYS   9  -0.512   3.030   3.601
  105   2HE   LYS   9          1HE       LYS   9  -2.254   3.360   3.694
  106   1HZ   LYS   9          1HZ       LYS   9  -2.596   1.513   5.085
  107   2HZ   LYS   9          2HZ       LYS   9  -1.228   2.291   5.726
  108   3HZ   LYS   9          3HZ       LYS   9  -1.048   0.885   4.789
  109    H    PHE  10           H        PHE  10  -1.435   0.424   0.097
  110    HA   PHE  10           HA       PHE  10  -3.877   1.939   0.325
  111   1HB   PHE  10          2HB       PHE  10  -1.310   2.241  -0.703
  112   2HB   PHE  10          1HB       PHE  10  -2.325   2.235  -2.145
  113    HD1  PHE  10           HD1      PHE  10  -1.534   3.985   0.994
  114    HD2  PHE  10           HD2      PHE  10  -4.016   3.962  -2.510
  115    HE1  PHE  10           HE1      PHE  10  -2.219   6.323   1.463
  116    HE2  PHE  10           HE2      PHE  10  -4.703   6.299  -2.040
  117    HZ   PHE  10           HZ       PHE  10  -3.803   7.478  -0.053
  118    H    LEU  11           H        LEU  11  -2.881  -0.799  -1.499
  119    HA   LEU  11           HA       LEU  11  -4.989  -0.518  -3.547
  120   1HB   LEU  11          2HB       LEU  11  -2.836  -2.520  -2.855
  121   2HB   LEU  11          1HB       LEU  11  -4.054  -2.894  -4.074
  122    HG   LEU  11           HG       LEU  11  -2.077  -0.599  -4.097
  123   1HD1  LEU  11          1HD1      LEU  11  -2.536  -3.062  -5.789
  124   2HD1  LEU  11          2HD1      LEU  11  -1.065  -2.574  -4.948
  125   3HD1  LEU  11          3HD1      LEU  11  -1.598  -1.689  -6.377
  126   1HD2  LEU  11          1HD2      LEU  11  -4.604  -1.078  -5.660
  127   2HD2  LEU  11          2HD2      LEU  11  -3.251  -0.236  -6.416
  128   3HD2  LEU  11          3HD2      LEU  11  -4.000   0.425  -4.962
  129    H    HIS  12           H        HIS  12  -5.039  -1.320  -0.354
  130    HA   HIS  12           HA       HIS  12  -7.365  -3.147  -0.723
  131   1HB   HIS  12          2HB       HIS  12  -4.807  -3.472   0.659
  132   2HB   HIS  12          1HB       HIS  12  -6.188  -3.796   1.700
  133    HD1  HIS  12           HD1      HIS  12  -7.060  -6.129   1.545
  134    HD2  HIS  12           HD2      HIS  12  -5.135  -4.974  -1.968
  135    HE1  HIS  12           HE1      HIS  12  -7.097  -8.144   0.010
  136    H    SER  13           H        SER  13  -5.679  -0.884   1.371
  137    HA   SER  13           HA       SER  13  -8.036  -0.436   3.068
  138   1HB   SER  13          2HB       SER  13  -5.960  -0.385   4.195
  139   2HB   SER  13          1HB       SER  13  -5.197   0.556   2.916
  140    HG   SER  13           HG       SER  13  -5.635   1.988   4.519
  141    H    ALA  14           H        ALA  14  -6.435   1.073   0.374
  142    HA   ALA  14           HA       ALA  14  -7.929   3.596   0.630
  143   1HB   ALA  14          1HB       ALA  14  -6.322   4.350  -0.800
  144   2HB   ALA  14          2HB       ALA  14  -6.511   2.968  -1.878
  145   3HB   ALA  14          3HB       ALA  14  -5.514   2.828  -0.431
  146    H    LYS  15           H        LYS  15  -8.509   0.523  -0.667
  147    HA   LYS  15           HA       LYS  15 -10.001   1.146  -3.031
  148   1HB   LYS  15          2HB       LYS  15  -9.726  -1.111  -1.093
  149   2HB   LYS  15          1HB       LYS  15 -11.078  -1.160  -2.224
  150   1HG   LYS  15          2HG       LYS  15  -9.434  -0.774  -4.093
  151   2HG   LYS  15          1HG       LYS  15  -8.134  -0.955  -2.913
  152   1HD   LYS  15          2HD       LYS  15  -8.402  -3.209  -2.776
  153   2HD   LYS  15          1HD       LYS  15 -10.160  -3.096  -2.832
  154   1HE   LYS  15          2HE       LYS  15  -9.281  -4.233  -4.855
  155   2HE   LYS  15          1HE       LYS  15 -10.040  -2.689  -5.288
  156   1HZ   LYS  15          1HZ       LYS  15  -7.516  -3.363  -5.933
  157   2HZ   LYS  15          2HZ       LYS  15  -7.266  -2.492  -4.496
  158   3HZ   LYS  15          3HZ       LYS  15  -8.075  -1.767  -5.803
  159    H    LYS  16           H        LYS  16 -11.890  -0.496  -0.673
  160    HA   LYS  16           HA       LYS  16 -14.058   1.457  -0.948
  161   1HB   LYS  16          2HB       LYS  16 -15.288  -0.249   0.329
  162   2HB   LYS  16          1HB       LYS  16 -14.357  -1.011  -0.961
  163   1HG   LYS  16          2HG       LYS  16 -12.748  -1.857   0.522
  164   2HG   LYS  16          1HG       LYS  16 -13.157  -0.691   1.780
  165   1HD   LYS  16          2HD       LYS  16 -15.408  -1.811   1.976
  166   2HD   LYS  16          1HD       LYS  16 -14.815  -3.060   0.880
  167   1HE   LYS  16          2HE       LYS  16 -12.862  -3.380   2.508
  168   2HE   LYS  16          1HE       LYS  16 -13.789  -2.386   3.651
  169   1HZ   LYS  16          1HZ       LYS  16 -14.147  -5.000   3.433
  170   2HZ   LYS  16          2HZ       LYS  16 -15.247  -4.482   2.246
  171   3HZ   LYS  16          3HZ       LYS  16 -15.403  -3.939   3.848
  172    H    PHE  17           H        PHE  17 -15.195   2.260   1.051
  173    HA   PHE  17           HA       PHE  17 -13.266   3.437   2.923
  174   1HB   PHE  17          2HB       PHE  17 -15.287   4.564   1.877
  175   2HB   PHE  17          1HB       PHE  17 -16.297   3.549   2.909
  176    HD1  PHE  17           HD1      PHE  17 -16.500   3.969   5.272
  177    HD2  PHE  17           HD2      PHE  17 -13.714   6.205   2.887
  178    HE1  PHE  17           HE1      PHE  17 -16.152   5.543   7.156
  179    HE2  PHE  17           HE2      PHE  17 -13.367   7.780   4.772
  180    HZ   PHE  17           HZ       PHE  17 -14.584   7.449   6.905
  181   1HN   NH2  18          1HN       NH2  18 -12.517   1.861   4.441
  182   2HN   NH2  18          2HN       NH2  18 -13.545   0.948   5.435
  Start of MODEL    7
    1   1H    LYS   1          1H        LYS   1   7.862   3.726   4.320
    2   2H    LYS   1          2H        LYS   1   8.837   2.354   4.552
    3   3H    LYS   1          3H        LYS   1   7.812   2.452   3.201
    4    HA   LYS   1           HA       LYS   1   9.126   4.086   2.160
    5   1HB   LYS   1          2HB       LYS   1   9.296   5.081   4.632
    6   2HB   LYS   1          1HB       LYS   1  10.882   4.311   4.575
    7   1HG   LYS   1          2HG       LYS   1  11.271   5.495   2.372
    8   2HG   LYS   1          1HG       LYS   1   9.791   6.404   2.678
    9   1HD   LYS   1          2HD       LYS   1  12.070   6.289   4.664
   10   2HD   LYS   1          1HD       LYS   1  11.953   7.536   3.421
   11   1HE   LYS   1          2HE       LYS   1  10.228   8.611   4.482
   12   2HE   LYS   1          1HE       LYS   1   9.487   7.092   5.022
   13   1HZ   LYS   1          1HZ       LYS   1  11.698   6.935   6.392
   14   2HZ   LYS   1          2HZ       LYS   1  10.375   7.823   6.982
   15   3HZ   LYS   1          3HZ       LYS   1  11.676   8.624   6.236
   16    H    TRP   2           H        TRP   2   9.350   1.571   1.581
   17    HA   TRP   2           HA       TRP   2  12.245   1.030   1.435
   18   1HB   TRP   2          2HB       TRP   2  11.674   0.077   3.592
   19   2HB   TRP   2          1HB       TRP   2  10.259  -0.728   2.912
   20    HD1  TRP   2           HD1      TRP   2  10.640  -3.179   2.375
   21    HE1  TRP   2           HE1      TRP   2  12.668  -4.649   1.765
   22    HE3  TRP   2           HE3      TRP   2  14.309   0.374   2.269
   23    HZ2  TRP   2           HZ2      TRP   2  15.473  -4.358   1.292
   24    HZ3  TRP   2           HZ3      TRP   2  16.647  -0.251   1.736
   25    HH2  TRP   2           HH2      TRP   2  17.233  -2.609   1.248
   26    H    LYS   3           H        LYS   3   9.885  -1.541   1.235
   27    HA   LYS   3           HA       LYS   3  10.389  -1.774  -1.672
   28   1HB   LYS   3          2HB       LYS   3  10.223  -3.556   0.363
   29   2HB   LYS   3          1HB       LYS   3   8.552  -3.597  -0.201
   30   1HG   LYS   3          2HG       LYS   3   9.268  -5.046  -1.780
   31   2HG   LYS   3          1HG       LYS   3  10.023  -3.653  -2.555
   32   1HD   LYS   3          2HD       LYS   3  11.648  -4.651  -0.358
   33   2HD   LYS   3          1HD       LYS   3  11.345  -5.908  -1.558
   34   1HE   LYS   3          2HE       LYS   3  12.109  -3.179  -2.542
   35   2HE   LYS   3          1HE       LYS   3  13.379  -4.230  -1.883
   36   1HZ   LYS   3          1HZ       LYS   3  11.377  -5.266  -3.793
   37   2HZ   LYS   3          2HZ       LYS   3  12.904  -5.902  -3.406
   38   3HZ   LYS   3          3HZ       LYS   3  12.781  -4.493  -4.346
   39    H    LEU   4           H        LEU   4   8.097  -2.760  -2.695
   40    HA   LEU   4           HA       LEU   4   6.345  -0.434  -2.844
   41   1HB   LEU   4          2HB       LEU   4   5.941  -3.247  -3.906
   42   2HB   LEU   4          1HB       LEU   4   5.240  -1.759  -4.540
   43    HG   LEU   4           HG       LEU   4   8.185  -2.484  -4.527
   44   1HD1  LEU   4          1HD1      LEU   4   7.258  -1.882  -7.110
   45   2HD1  LEU   4          2HD1      LEU   4   6.008  -2.902  -6.398
   46   3HD1  LEU   4          3HD1      LEU   4   7.673  -3.477  -6.484
   47   1HD2  LEU   4          1HD2      LEU   4   8.557  -0.264  -4.657
   48   2HD2  LEU   4          2HD2      LEU   4   6.825   0.068  -4.660
   49   3HD2  LEU   4          3HD2      LEU   4   7.664  -0.253  -6.178
   50    H    PHE   5           H        PHE   5   6.626  -2.768  -0.514
   51    HA   PHE   5           HA       PHE   5   3.989  -3.700  -0.052
   52   1HB   PHE   5          2HB       PHE   5   6.492  -3.901   1.103
   53   2HB   PHE   5          1HB       PHE   5   5.563  -3.042   2.334
   54    HD1  PHE   5           HD1      PHE   5   2.838  -4.212   1.545
   55    HD2  PHE   5           HD2      PHE   5   6.666  -6.023   2.265
   56    HE1  PHE   5           HE1      PHE   5   1.715  -6.328   2.178
   57    HE2  PHE   5           HE2      PHE   5   5.542  -8.141   2.901
   58    HZ   PHE   5           HZ       PHE   5   3.067  -8.294   2.856
   59    H    LYS   6           H        LYS   6   5.534  -0.664   0.742
   60    HA   LYS   6           HA       LYS   6   3.527   0.346   2.526
   61   1HB   LYS   6          2HB       LYS   6   5.987   1.141   1.357
   62   2HB   LYS   6          1HB       LYS   6   4.815   2.405   0.976
   63   1HG   LYS   6          2HG       LYS   6   4.189   1.886   3.574
   64   2HG   LYS   6          1HG       LYS   6   5.926   1.591   3.583
   65   1HD   LYS   6          2HD       LYS   6   6.440   3.786   2.972
   66   2HD   LYS   6          1HD       LYS   6   4.854   4.058   2.251
   67   1HE   LYS   6          2HE       LYS   6   5.285   3.648   5.230
   68   2HE   LYS   6          1HE       LYS   6   5.157   5.242   4.460
   69   1HZ   LYS   6          1HZ       LYS   6   3.059   4.321   3.392
   70   2HZ   LYS   6          2HZ       LYS   6   2.970   4.699   5.047
   71   3HZ   LYS   6          3HZ       LYS   6   3.133   3.083   4.550
   72    H    LYS   7           H        LYS   7   3.531  -0.223  -0.822
   73    HA   LYS   7           HA       LYS   7   1.425   1.795  -1.347
   74   1HB   LYS   7          2HB       LYS   7   3.520   1.247  -2.799
   75   2HB   LYS   7          1HB       LYS   7   2.608  -0.177  -3.303
   76   1HG   LYS   7          2HG       LYS   7   0.885   1.130  -4.274
   77   2HG   LYS   7          1HG       LYS   7   1.410   2.592  -3.438
   78   1HD   LYS   7          2HD       LYS   7   3.564   2.472  -4.742
   79   2HD   LYS   7          1HD       LYS   7   2.858   1.154  -5.679
   80   1HE   LYS   7          2HE       LYS   7   2.422   3.130  -6.962
   81   2HE   LYS   7          1HE       LYS   7   0.891   2.792  -6.128
   82   1HZ   LYS   7          1HZ       LYS   7   3.006   4.484  -4.929
   83   2HZ   LYS   7          2HZ       LYS   7   1.379   4.345  -4.457
   84   3HZ   LYS   7          3HZ       LYS   7   1.783   5.138  -5.906
   85    H    ILE   8           H        ILE   8   1.687  -1.385  -0.316
   86    HA   ILE   8           HA       ILE   8  -0.650  -2.459  -1.727
   87    HB   ILE   8           HB       ILE   8   1.290  -3.399   0.372
   88   1HG1  ILE   8          2HG1      ILE   8   1.792  -3.340  -2.144
   89   2HG1  ILE   8          1HG1      ILE   8   2.030  -4.888  -1.336
   90   1HG2  ILE   8          1HG2      ILE   8  -0.103  -5.653  -0.216
   91   2HG2  ILE   8          2HG2      ILE   8  -1.405  -4.463  -0.270
   92   3HG2  ILE   8          3HG2      ILE   8  -0.439  -4.649   1.193
   93   1HD1  ILE   8          1HD1      ILE   8   0.418  -4.408  -3.584
   94   2HD1  ILE   8          2HD1      ILE   8  -0.713  -4.607  -2.246
   95   3HD1  ILE   8          3HD1      ILE   8   0.453  -5.878  -2.609
   96    H    LYS   9           H        LYS   9   0.140  -1.936   1.690
   97    HA   LYS   9           HA       LYS   9  -2.432  -2.339   2.753
   98   1HB   LYS   9          2HB       LYS   9  -1.392  -1.715   4.693
   99   2HB   LYS   9          1HB       LYS   9   0.057  -1.721   3.695
  100   1HG   LYS   9          2HG       LYS   9  -1.681   0.734   4.079
  101   2HG   LYS   9          1HG       LYS   9  -0.276   0.375   5.080
  102   1HD   LYS   9          2HD       LYS   9   0.715   0.047   2.524
  103   2HD   LYS   9          1HD       LYS   9  -0.395   1.406   2.335
  104   1HE   LYS   9          2HE       LYS   9   1.962   2.080   2.996
  105   2HE   LYS   9          1HE       LYS   9   0.714   2.629   4.132
  106   1HZ   LYS   9          1HZ       LYS   9   1.740  -0.056   4.560
  107   2HZ   LYS   9          2HZ       LYS   9   1.339   1.147   5.692
  108   3HZ   LYS   9          3HZ       LYS   9   2.832   1.200   4.886
  109    H    PHE  10           H        PHE  10  -1.223   0.295   0.903
  110    HA   PHE  10           HA       PHE  10  -3.409   2.128   1.666
  111   1HB   PHE  10          2HB       PHE  10  -1.305   3.163   1.284
  112   2HB   PHE  10          1HB       PHE  10  -1.010   2.202  -0.166
  113    HD1  PHE  10           HD1      PHE  10  -3.161   4.900   1.248
  114    HD2  PHE  10           HD2      PHE  10  -1.753   2.930  -2.300
  115    HE1  PHE  10           HE1      PHE  10  -4.194   6.673  -0.147
  116    HE2  PHE  10           HE2      PHE  10  -2.782   4.704  -3.694
  117    HZ   PHE  10           HZ       PHE  10  -4.003   6.575  -2.618
  118    H    LEU  11           H        LEU  11  -2.654  -0.227  -0.715
  119    HA   LEU  11           HA       LEU  11  -4.726   0.694  -2.612
  120   1HB   LEU  11          2HB       LEU  11  -2.508  -1.294  -2.492
  121   2HB   LEU  11          1HB       LEU  11  -3.848  -1.664  -3.578
  122    HG   LEU  11           HG       LEU  11  -2.252   0.916  -3.574
  123   1HD1  LEU  11          1HD1      LEU  11  -0.840  -0.726  -4.516
  124   2HD1  LEU  11          2HD1      LEU  11  -1.648  -0.019  -5.916
  125   3HD1  LEU  11          3HD1      LEU  11  -2.186  -1.572  -5.278
  126   1HD2  LEU  11          1HD2      LEU  11  -4.068   1.734  -4.646
  127   2HD2  LEU  11          2HD2      LEU  11  -4.821   0.141  -4.714
  128   3HD2  LEU  11          3HD2      LEU  11  -3.678   0.629  -5.965
  129    H    HIS  12           H        HIS  12  -4.497  -1.258   0.149
  130    HA   HIS  12           HA       HIS  12  -6.675  -3.096  -0.592
  131   1HB   HIS  12          2HB       HIS  12  -4.704  -2.696   1.621
  132   2HB   HIS  12          1HB       HIS  12  -6.145  -3.648   1.950
  133    HD1  HIS  12           HD1      HIS  12  -4.988  -5.943   2.016
  134    HD2  HIS  12           HD2      HIS  12  -4.286  -3.858  -1.524
  135    HE1  HIS  12           HE1      HIS  12  -3.879  -7.578   0.428
  136    H    SER  13           H        SER  13  -6.042  -0.360   1.501
  137    HA   SER  13           HA       SER  13  -8.672  -0.370   2.751
  138   1HB   SER  13          2HB       SER  13  -6.129   0.842   3.096
  139   2HB   SER  13          1HB       SER  13  -7.296   2.147   2.912
  140    HG   SER  13           HG       SER  13  -8.550   1.098   4.543
  141    H    ALA  14           H        ALA  14  -7.057   1.584   0.304
  142    HA   ALA  14           HA       ALA  14  -9.499   3.129  -0.270
  143   1HB   ALA  14          1HB       ALA  14  -7.776   3.894  -2.156
  144   2HB   ALA  14          2HB       ALA  14  -6.623   3.077  -1.100
  145   3HB   ALA  14          3HB       ALA  14  -7.583   4.423  -0.485
  146    H    LYS  15           H        LYS  15  -9.299   0.105  -0.806
  147    HA   LYS  15           HA       LYS  15  -9.072  -0.561  -3.507
  148   1HB   LYS  15          2HB       LYS  15  -9.840  -1.791  -1.228
  149   2HB   LYS  15          1HB       LYS  15 -11.414  -1.618  -2.005
  150   1HG   LYS  15          2HG       LYS  15 -10.942  -3.336  -3.376
  151   2HG   LYS  15          1HG       LYS  15  -9.528  -2.471  -3.981
  152   1HD   LYS  15          2HD       LYS  15  -8.262  -3.284  -1.960
  153   2HD   LYS  15          1HD       LYS  15  -9.655  -4.290  -1.562
  154   1HE   LYS  15          2HE       LYS  15  -9.197  -5.794  -3.225
  155   2HE   LYS  15          1HE       LYS  15  -8.695  -4.527  -4.361
  156   1HZ   LYS  15          1HZ       LYS  15  -7.135  -5.879  -2.281
  157   2HZ   LYS  15          2HZ       LYS  15  -6.793  -4.243  -2.588
  158   3HZ   LYS  15          3HZ       LYS  15  -6.664  -5.390  -3.835
  159    H    LYS  16           H        LYS  16 -10.731  -0.755  -5.198
  160    HA   LYS  16           HA       LYS  16 -12.476   1.611  -5.318
  161   1HB   LYS  16          2HB       LYS  16 -11.848  -0.675  -7.214
  162   2HB   LYS  16          1HB       LYS  16 -12.842   0.719  -7.642
  163   1HG   LYS  16          2HG       LYS  16 -10.930   2.215  -7.074
  164   2HG   LYS  16          1HG       LYS  16  -9.940   0.789  -6.764
  165   1HD   LYS  16          2HD       LYS  16 -10.006   0.109  -9.031
  166   2HD   LYS  16          1HD       LYS  16 -11.363   1.175  -9.397
  167   1HE   LYS  16          2HE       LYS  16  -9.732   2.574 -10.199
  168   2HE   LYS  16          1HE       LYS  16  -9.482   2.969  -8.487
  169   1HZ   LYS  16          1HZ       LYS  16  -7.479   2.113  -9.803
  170   2HZ   LYS  16          2HZ       LYS  16  -8.227   0.590  -9.708
  171   3HZ   LYS  16          3HZ       LYS  16  -7.785   1.412  -8.289
  172    H    PHE  17           H        PHE  17 -14.279   1.287  -3.986
  173    HA   PHE  17           HA       PHE  17 -15.709  -1.294  -4.009
  174   1HB   PHE  17          2HB       PHE  17 -15.237   0.399  -2.059
  175   2HB   PHE  17          1HB       PHE  17 -16.633   1.260  -2.710
  176    HD1  PHE  17           HD1      PHE  17 -15.518  -2.108  -1.531
  177    HD2  PHE  17           HD2      PHE  17 -18.820   0.556  -2.201
  178    HE1  PHE  17           HE1      PHE  17 -17.036  -3.701  -0.389
  179    HE2  PHE  17           HE2      PHE  17 -20.338  -1.037  -1.061
  180    HZ   PHE  17           HZ       PHE  17 -19.446  -3.166  -0.154
  181   1HN   NH2  18          1HN       NH2  18 -15.937   1.834  -5.596
  182   2HN   NH2  18          2HN       NH2  18 -17.425   1.559  -6.369
  Start of MODEL    8
    1   1H    LYS   1          1H        LYS   1   8.865   4.446   3.309
    2   2H    LYS   1          2H        LYS   1   8.416   3.337   2.103
    3   3H    LYS   1          3H        LYS   1   7.476   4.727   2.377
    4    HA   LYS   1           HA       LYS   1   8.665   5.353   0.511
    5   1HB   LYS   1          2HB       LYS   1   9.419   6.297   3.137
    6   2HB   LYS   1          1HB       LYS   1  10.787   6.447   2.033
    7   1HG   LYS   1          2HG       LYS   1   9.030   7.450   0.382
    8   2HG   LYS   1          1HG       LYS   1   8.057   7.697   1.831
    9   1HD   LYS   1          2HD       LYS   1  10.763   8.538   2.343
   10   2HD   LYS   1          1HD       LYS   1  10.169   9.328   0.883
   11   1HE   LYS   1          2HE       LYS   1   8.071   9.939   2.188
   12   2HE   LYS   1          1HE       LYS   1   8.919   9.386   3.647
   13   1HZ   LYS   1          1HZ       LYS   1  10.832  10.828   2.679
   14   2HZ   LYS   1          2HZ       LYS   1   9.578  11.572   3.551
   15   3HZ   LYS   1          3HZ       LYS   1   9.581  11.623   1.853
   16    H    TRP   2           H        TRP   2  10.464   3.241   2.655
   17    HA   TRP   2           HA       TRP   2  12.683   2.998   0.676
   18   1HB   TRP   2          2HB       TRP   2  12.964   3.338   3.211
   19   2HB   TRP   2          1HB       TRP   2  12.401   1.675   3.385
   20    HD1  TRP   2           HD1      TRP   2  13.891  -0.247   2.197
   21    HE1  TRP   2           HE1      TRP   2  16.417  -0.328   1.692
   22    HE3  TRP   2           HE3      TRP   2  15.033   4.710   2.616
   23    HZ2  TRP   2           HZ2      TRP   2  18.630   1.470   1.492
   24    HZ3  TRP   2           HZ3      TRP   2  17.355   5.498   2.267
   25    HH2  TRP   2           HH2      TRP   2  19.155   3.886   1.706
   26    H    LYS   3           H        LYS   3   9.706   1.658   1.097
   27    HA   LYS   3           HA       LYS   3  10.546  -0.870  -0.227
   28   1HB   LYS   3          2HB       LYS   3   9.694  -0.538   2.526
   29   2HB   LYS   3          1HB       LYS   3   8.568  -1.579   1.654
   30   1HG   LYS   3          2HG       LYS   3  11.260  -2.266   0.909
   31   2HG   LYS   3          1HG       LYS   3  11.124  -2.270   2.668
   32   1HD   LYS   3          2HD       LYS   3   9.573  -3.981   2.685
   33   2HD   LYS   3          1HD       LYS   3   8.923  -3.549   1.104
   34   1HE   LYS   3          2HE       LYS   3  11.223  -4.306   0.165
   35   2HE   LYS   3          1HE       LYS   3  11.435  -5.103   1.736
   36   1HZ   LYS   3          1HZ       LYS   3  10.064  -6.163  -0.331
   37   2HZ   LYS   3          2HZ       LYS   3   8.816  -5.443   0.569
   38   3HZ   LYS   3          3HZ       LYS   3   9.837  -6.590   1.294
   39    H    LEU   4           H        LEU   4   9.045  -1.492  -1.765
   40    HA   LEU   4           HA       LEU   4   6.869   0.298  -2.427
   41   1HB   LEU   4          2HB       LEU   4   6.466  -1.496  -4.165
   42   2HB   LEU   4          1HB       LEU   4   8.121  -0.876  -4.133
   43    HG   LEU   4           HG       LEU   4   7.792  -3.018  -2.232
   44   1HD1  LEU   4          1HD1      LEU   4   6.291  -4.240  -3.461
   45   2HD1  LEU   4          2HD1      LEU   4   7.738  -4.673  -4.372
   46   3HD1  LEU   4          3HD1      LEU   4   6.677  -3.393  -4.960
   47   1HD2  LEU   4          1HD2      LEU   4   9.545  -3.822  -4.238
   48   2HD2  LEU   4          2HD2      LEU   4   9.982  -2.920  -2.788
   49   3HD2  LEU   4          3HD2      LEU   4   9.634  -2.063  -4.288
   50    H    PHE   5           H        PHE   5   7.132  -2.132  -0.129
   51    HA   PHE   5           HA       PHE   5   4.553  -3.407  -0.341
   52   1HB   PHE   5          2HB       PHE   5   6.452  -4.331   0.918
   53   2HB   PHE   5          1HB       PHE   5   6.424  -2.943   2.004
   54    HD1  PHE   5           HD1      PHE   5   4.885  -6.134   1.154
   55    HD2  PHE   5           HD2      PHE   5   4.468  -2.572   3.518
   56    HE1  PHE   5           HE1      PHE   5   3.186  -7.267   2.562
   57    HE2  PHE   5           HE2      PHE   5   2.769  -3.706   4.926
   58    HZ   PHE   5           HZ       PHE   5   2.128  -6.053   4.447
   59    H    LYS   6           H        LYS   6   5.442  -0.253   0.464
   60    HA   LYS   6           HA       LYS   6   3.411   0.316   2.469
   61   1HB   LYS   6          2HB       LYS   6   4.153   2.621   2.081
   62   2HB   LYS   6          1HB       LYS   6   5.565   1.563   2.110
   63   1HG   LYS   6          2HG       LYS   6   5.736   1.562  -0.273
   64   2HG   LYS   6          1HG       LYS   6   4.142   2.291  -0.456
   65   1HD   LYS   6          2HD       LYS   6   5.760   3.977   1.222
   66   2HD   LYS   6          1HD       LYS   6   6.635   3.627  -0.269
   67   1HE   LYS   6          2HE       LYS   6   5.295   5.569  -0.743
   68   2HE   LYS   6          1HE       LYS   6   4.440   4.209  -1.498
   69   1HZ   LYS   6          1HZ       LYS   6   2.718   4.823  -0.231
   70   2HZ   LYS   6          2HZ       LYS   6   3.674   5.814   0.766
   71   3HZ   LYS   6          3HZ       LYS   6   3.570   4.146   1.070
   72    H    LYS   7           H        LYS   7   3.464  -0.070  -0.918
   73    HA   LYS   7           HA       LYS   7   1.033   1.547  -1.394
   74   1HB   LYS   7          2HB       LYS   7   3.325   0.757  -2.835
   75   2HB   LYS   7          1HB       LYS   7   1.973  -0.085  -3.595
   76   1HG   LYS   7          2HG       LYS   7   0.906   2.407  -3.233
   77   2HG   LYS   7          1HG       LYS   7   2.599   2.801  -3.534
   78   1HD   LYS   7          2HD       LYS   7   0.777   1.142  -5.298
   79   2HD   LYS   7          1HD       LYS   7   1.456   2.726  -5.670
   80   1HE   LYS   7          2HE       LYS   7   3.715   1.813  -5.720
   81   2HE   LYS   7          1HE       LYS   7   3.120   0.229  -5.178
   82   1HZ   LYS   7          1HZ       LYS   7   3.246   0.148  -7.537
   83   2HZ   LYS   7          2HZ       LYS   7   2.449   1.640  -7.703
   84   3HZ   LYS   7          3HZ       LYS   7   1.603   0.279  -7.144
   85    H    ILE   8           H        ILE   8   1.957  -1.679  -0.703
   86    HA   ILE   8           HA       ILE   8  -0.296  -3.010  -1.967
   87    HB   ILE   8           HB       ILE   8   1.768  -3.736   0.118
   88   1HG1  ILE   8          2HG1      ILE   8   1.317  -4.864  -2.657
   89   2HG1  ILE   8          1HG1      ILE   8   2.356  -3.470  -2.354
   90   1HG2  ILE   8          1HG2      ILE   8   0.041  -5.160   0.779
   91   2HG2  ILE   8          2HG2      ILE   8   0.850  -6.140  -0.445
   92   3HG2  ILE   8          3HG2      ILE   8  -0.631  -5.267  -0.847
   93   1HD1  ILE   8          1HD1      ILE   8   3.145  -5.355  -0.445
   94   2HD1  ILE   8          2HD1      ILE   8   4.016  -4.931  -1.919
   95   3HD1  ILE   8          3HD1      ILE   8   2.899  -6.294  -1.917
   96    H    LYS   9           H        LYS   9   0.370  -1.592   1.143
   97    HA   LYS   9           HA       LYS   9  -1.982  -2.658   2.453
   98   1HB   LYS   9          2HB       LYS   9   0.241  -1.627   3.390
   99   2HB   LYS   9          1HB       LYS   9  -0.594  -0.089   3.171
  100   1HG   LYS   9          2HG       LYS   9  -1.284  -2.368   5.004
  101   2HG   LYS   9          1HG       LYS   9  -1.187  -0.644   5.363
  102   1HD   LYS   9          2HD       LYS   9  -3.195  -0.288   3.890
  103   2HD   LYS   9          1HD       LYS   9  -3.332  -2.041   3.737
  104   1HE   LYS   9          2HE       LYS   9  -4.545  -2.034   5.655
  105   2HE   LYS   9          1HE       LYS   9  -3.082  -1.514   6.517
  106   1HZ   LYS   9          1HZ       LYS   9  -4.338   0.319   6.884
  107   2HZ   LYS   9          2HZ       LYS   9  -5.307   0.079   5.508
  108   3HZ   LYS   9          3HZ       LYS   9  -3.757   0.756   5.351
  109    H    PHE  10           H        PHE  10  -1.163   0.231   0.675
  110    HA   PHE  10           HA       PHE  10  -3.659   1.617   1.105
  111   1HB   PHE  10          2HB       PHE  10  -1.454   2.607   0.390
  112   2HB   PHE  10          1HB       PHE  10  -1.658   1.812  -1.172
  113    HD1  PHE  10           HD1      PHE  10  -3.708   3.902   1.181
  114    HD2  PHE  10           HD2      PHE  10  -2.545   3.120  -2.878
  115    HE1  PHE  10           HE1      PHE  10  -5.121   5.789   0.412
  116    HE2  PHE  10           HE2      PHE  10  -3.957   5.007  -3.647
  117    HZ   PHE  10           HZ       PHE  10  -5.244   6.342  -2.002
  118    H    LEU  11           H        LEU  11  -2.860  -1.180  -0.616
  119    HA   LEU  11           HA       LEU  11  -4.827  -0.785  -2.794
  120   1HB   LEU  11          2HB       LEU  11  -2.890  -2.922  -1.911
  121   2HB   LEU  11          1HB       LEU  11  -4.078  -3.250  -3.171
  122    HG   LEU  11           HG       LEU  11  -2.181  -0.894  -3.257
  123   1HD1  LEU  11          1HD1      LEU  11  -1.494  -3.597  -3.502
  124   2HD1  LEU  11          2HD1      LEU  11  -0.547  -2.222  -4.069
  125   3HD1  LEU  11          3HD1      LEU  11  -1.668  -3.033  -5.164
  126   1HD2  LEU  11          1HD2      LEU  11  -2.819  -1.335  -5.795
  127   2HD2  LEU  11          2HD2      LEU  11  -3.898  -0.409  -4.753
  128   3HD2  LEU  11          3HD2      LEU  11  -4.232  -2.110  -5.078
  129    H    HIS  12           H        HIS  12  -5.341  -1.151   0.323
  130    HA   HIS  12           HA       HIS  12  -7.484  -3.206  -0.014
  131   1HB   HIS  12          2HB       HIS  12  -5.309  -2.816   1.905
  132   2HB   HIS  12          1HB       HIS  12  -6.875  -3.033   2.678
  133    HD1  HIS  12           HD1      HIS  12  -7.531  -5.414   3.016
  134    HD2  HIS  12           HD2      HIS  12  -4.898  -4.991  -0.189
  135    HE1  HIS  12           HE1      HIS  12  -7.081  -7.751   2.143
  136    H    SER  13           H        SER  13  -6.484  -0.419   1.895
  137    HA   SER  13           HA       SER  13  -9.255   0.207   2.649
  138   1HB   SER  13          2HB       SER  13  -6.662   1.703   3.108
  139   2HB   SER  13          1HB       SER  13  -8.171   1.939   3.986
  140    HG   SER  13           HG       SER  13  -6.620  -0.443   3.887
  141    H    ALA  14           H        ALA  14  -7.024   1.117   0.183
  142    HA   ALA  14           HA       ALA  14  -8.301   3.703  -0.385
  143   1HB   ALA  14          1HB       ALA  14  -5.833   2.960  -0.642
  144   2HB   ALA  14          2HB       ALA  14  -6.534   3.931  -1.938
  145   3HB   ALA  14          3HB       ALA  14  -6.369   2.186  -2.134
  146    H    LYS  15           H        LYS  15  -9.295   0.589  -0.962
  147    HA   LYS  15           HA       LYS  15 -10.011   0.585  -3.729
  148   1HB   LYS  15          2HB       LYS  15 -11.339  -1.284  -3.116
  149   2HB   LYS  15          1HB       LYS  15 -10.026  -1.276  -1.941
  150   1HG   LYS  15          2HG       LYS  15 -11.506  -0.027  -0.359
  151   2HG   LYS  15          1HG       LYS  15 -12.825  -0.187  -1.521
  152   1HD   LYS  15          2HD       LYS  15 -11.297  -2.515  -0.318
  153   2HD   LYS  15          1HD       LYS  15 -12.878  -1.961   0.237
  154   1HE   LYS  15          2HE       LYS  15 -12.755  -2.406  -2.676
  155   2HE   LYS  15          1HE       LYS  15 -12.499  -3.874  -1.715
  156   1HZ   LYS  15          1HZ       LYS  15 -14.623  -3.872  -1.113
  157   2HZ   LYS  15          2HZ       LYS  15 -14.906  -2.571  -2.168
  158   3HZ   LYS  15          3HZ       LYS  15 -14.522  -2.279  -0.540
  159    H    LYS  16           H        LYS  16 -12.859   0.169  -3.598
  160    HA   LYS  16           HA       LYS  16 -13.744   2.967  -3.718
  161   1HB   LYS  16          2HB       LYS  16 -15.707   1.986  -4.729
  162   2HB   LYS  16          1HB       LYS  16 -14.303   1.113  -5.345
  163   1HG   LYS  16          2HG       LYS  16 -15.032  -0.825  -4.458
  164   2HG   LYS  16          1HG       LYS  16 -15.268  -0.081  -2.877
  165   1HD   LYS  16          2HD       LYS  16 -17.436  -0.802  -3.579
  166   2HD   LYS  16          1HD       LYS  16 -17.406   0.942  -3.832
  167   1HE   LYS  16          2HE       LYS  16 -17.243   0.735  -6.166
  168   2HE   LYS  16          1HE       LYS  16 -16.597  -0.916  -6.068
  169   1HZ   LYS  16          1HZ       LYS  16 -18.745  -1.461  -6.444
  170   2HZ   LYS  16          2HZ       LYS  16 -19.349   0.014  -5.854
  171   3HZ   LYS  16          3HZ       LYS  16 -18.894  -1.215  -4.772
  172    H    PHE  17           H        PHE  17 -13.083   2.411  -1.068
  173    HA   PHE  17           HA       PHE  17 -15.759   2.573   0.233
  174   1HB   PHE  17          2HB       PHE  17 -14.927   0.223   0.288
  175   2HB   PHE  17          1HB       PHE  17 -13.468   0.784   1.103
  176    HD1  PHE  17           HD1      PHE  17 -13.465   0.396   3.398
  177    HD2  PHE  17           HD2      PHE  17 -17.162   1.396   1.452
  178    HE1  PHE  17           HE1      PHE  17 -14.644   0.287   5.578
  179    HE2  PHE  17           HE2      PHE  17 -18.339   1.287   3.631
  180    HZ   PHE  17           HZ       PHE  17 -17.079   0.732   5.695
  181   1HN   NH2  18          1HN       NH2  18 -15.422   3.380   2.609
  182   2HN   NH2  18          2HN       NH2  18 -14.149   4.469   2.881
  Start of MODEL    9
    1   1H    LYS   1          1H        LYS   1  15.478   0.751   3.694
    2   2H    LYS   1          2H        LYS   1  14.154   0.488   4.728
    3   3H    LYS   1          3H        LYS   1  15.003   1.960   4.786
    4    HA   LYS   1           HA       LYS   1  13.315   2.694   3.482
    5   1HB   LYS   1          2HB       LYS   1  15.185   1.131   1.678
    6   2HB   LYS   1          1HB       LYS   1  14.004   2.291   1.072
    7   1HG   LYS   1          2HG       LYS   1  15.148   4.108   1.908
    8   2HG   LYS   1          1HG       LYS   1  15.814   3.198   3.264
    9   1HD   LYS   1          2HD       LYS   1  17.483   3.860   1.445
   10   2HD   LYS   1          1HD       LYS   1  17.458   2.151   1.882
   11   1HE   LYS   1          2HE       LYS   1  17.477   2.449  -0.590
   12   2HE   LYS   1          1HE       LYS   1  15.964   1.691  -0.055
   13   1HZ   LYS   1          1HZ       LYS   1  16.251   4.629  -0.253
   14   2HZ   LYS   1          2HZ       LYS   1  14.823   3.713  -0.164
   15   3HZ   LYS   1          3HZ       LYS   1  15.757   3.699  -1.583
   16    H    TRP   2           H        TRP   2  13.770  -0.772   3.384
   17    HA   TRP   2           HA       TRP   2  12.196  -2.504   3.027
   18   1HB   TRP   2          2HB       TRP   2  10.901  -0.352   4.190
   19   2HB   TRP   2          1HB       TRP   2   9.916  -0.662   2.760
   20    HD1  TRP   2           HD1      TRP   2   8.798  -3.095   2.539
   21    HE1  TRP   2           HE1      TRP   2   8.183  -4.846   4.325
   22    HE3  TRP   2           HE3      TRP   2  11.568  -1.361   6.467
   23    HZ2  TRP   2           HZ2      TRP   2   8.782  -5.434   7.057
   24    HZ3  TRP   2           HZ3      TRP   2  11.523  -2.536   8.650
   25    HH2  TRP   2           HH2      TRP   2  10.135  -4.568   8.948
   26    H    LYS   3           H        LYS   3   9.693  -1.935   1.427
   27    HA   LYS   3           HA       LYS   3  10.883  -1.304  -1.237
   28   1HB   LYS   3          2HB       LYS   3  10.594  -3.854  -0.334
   29   2HB   LYS   3          1HB       LYS   3   9.012  -3.604  -1.073
   30   1HG   LYS   3          2HG       LYS   3  10.359  -2.650  -3.087
   31   2HG   LYS   3          1HG       LYS   3  11.731  -3.490  -2.364
   32   1HD   LYS   3          2HD       LYS   3   9.803  -5.431  -2.257
   33   2HD   LYS   3          1HD       LYS   3   9.365  -4.590  -3.744
   34   1HE   LYS   3          2HE       LYS   3  11.692  -4.841  -4.573
   35   2HE   LYS   3          1HE       LYS   3  12.110  -5.724  -3.092
   36   1HZ   LYS   3          1HZ       LYS   3  10.992  -7.534  -3.757
   37   2HZ   LYS   3          2HZ       LYS   3  11.091  -6.868  -5.316
   38   3HZ   LYS   3          3HZ       LYS   3   9.693  -6.639  -4.378
   39    H    LEU   4           H        LEU   4   8.466  -2.156  -2.610
   40    HA   LEU   4           HA       LEU   4   6.796   0.195  -2.058
   41   1HB   LEU   4          2HB       LEU   4   5.618  -0.661  -4.111
   42   2HB   LEU   4          1HB       LEU   4   7.353  -0.425  -4.341
   43    HG   LEU   4           HG       LEU   4   6.961  -3.030  -3.278
   44   1HD1  LEU   4          1HD1      LEU   4   5.541  -4.055  -4.970
   45   2HD1  LEU   4          2HD1      LEU   4   5.320  -2.500  -5.772
   46   3HD1  LEU   4          3HD1      LEU   4   4.634  -2.771  -4.170
   47   1HD2  LEU   4          1HD2      LEU   4   8.060  -3.697  -5.376
   48   2HD2  LEU   4          2HD2      LEU   4   8.826  -2.249  -4.723
   49   3HD2  LEU   4          3HD2      LEU   4   7.705  -2.118  -6.077
   50    H    PHE   5           H        PHE   5   6.949  -2.609  -0.465
   51    HA   PHE   5           HA       PHE   5   4.332  -3.734  -0.552
   52   1HB   PHE   5          2HB       PHE   5   6.161  -4.887   0.503
   53   2HB   PHE   5          1HB       PHE   5   6.459  -3.530   1.591
   54    HD1  PHE   5           HD1      PHE   5   5.256  -3.293   3.633
   55    HD2  PHE   5           HD2      PHE   5   3.993  -6.176   0.709
   56    HE1  PHE   5           HE1      PHE   5   3.657  -4.251   5.268
   57    HE2  PHE   5           HE2      PHE   5   2.395  -7.135   2.344
   58    HZ   PHE   5           HZ       PHE   5   2.227  -6.172   4.624
   59    H    LYS   6           H        LYS   6   5.478  -0.774   0.744
   60    HA   LYS   6           HA       LYS   6   3.395  -0.397   2.739
   61   1HB   LYS   6          2HB       LYS   6   4.364   1.825   2.888
   62   2HB   LYS   6          1HB       LYS   6   5.682   0.670   2.681
   63   1HG   LYS   6          2HG       LYS   6   6.340   1.958   0.944
   64   2HG   LYS   6          1HG       LYS   6   4.967   1.277   0.072
   65   1HD   LYS   6          2HD       LYS   6   3.535   3.115   0.843
   66   2HD   LYS   6          1HD       LYS   6   4.876   3.787   1.771
   67   1HE   LYS   6          2HE       LYS   6   5.937   4.613  -0.103
   68   2HE   LYS   6          1HE       LYS   6   5.362   3.288  -1.135
   69   1HZ   LYS   6          1HZ       LYS   6   3.201   4.193  -1.191
   70   2HZ   LYS   6          2HZ       LYS   6   4.241   5.503  -1.488
   71   3HZ   LYS   6          3HZ       LYS   6   3.538   5.304   0.046
   72    H    LYS   7           H        LYS   7   3.565  -0.157  -0.655
   73    HA   LYS   7           HA       LYS   7   1.342   1.774  -0.900
   74   1HB   LYS   7          2HB       LYS   7   3.198   1.901  -2.465
   75   2HB   LYS   7          1HB       LYS   7   3.032   0.190  -2.857
   76   1HG   LYS   7          2HG       LYS   7   0.504   1.112  -3.381
   77   2HG   LYS   7          1HG       LYS   7   1.487   2.501  -3.843
   78   1HD   LYS   7          2HD       LYS   7   2.341  -0.228  -4.740
   79   2HD   LYS   7          1HD       LYS   7   1.011   0.567  -5.586
   80   1HE   LYS   7          2HE       LYS   7   3.231   1.070  -6.630
   81   2HE   LYS   7          1HE       LYS   7   2.447   2.537  -6.008
   82   1HZ   LYS   7          1HZ       LYS   7   4.871   2.073  -5.326
   83   2HZ   LYS   7          2HZ       LYS   7   4.203   0.919  -4.274
   84   3HZ   LYS   7          3HZ       LYS   7   3.774   2.556  -4.126
   85    H    ILE   8           H        ILE   8   1.888  -1.608  -0.734
   86    HA   ILE   8           HA       ILE   8  -0.468  -2.501  -2.149
   87    HB   ILE   8           HB       ILE   8   1.246  -3.778   0.005
   88   1HG1  ILE   8          2HG1      ILE   8   1.342  -4.027  -3.021
   89   2HG1  ILE   8          1HG1      ILE   8   2.470  -3.081  -2.050
   90   1HG2  ILE   8          1HG2      ILE   8  -0.001  -5.657  -0.192
   91   2HG2  ILE   8          2HG2      ILE   8  -0.043  -5.531  -1.950
   92   3HG2  ILE   8          3HG2      ILE   8  -1.211  -4.641  -0.976
   93   1HD1  ILE   8          1HD1      ILE   8   3.636  -5.085  -2.257
   94   2HD1  ILE   8          2HD1      ILE   8   2.166  -6.060  -2.230
   95   3HD1  ILE   8          3HD1      ILE   8   2.779  -5.347  -0.738
   96    H    LYS   9           H        LYS   9   0.218  -1.458   1.097
   97    HA   LYS   9           HA       LYS   9  -2.212  -2.407   2.322
   98   1HB   LYS   9          2HB       LYS   9  -0.475  -1.879   3.808
   99   2HB   LYS   9          1HB       LYS   9  -0.029  -0.431   2.908
  100   1HG   LYS   9          2HG       LYS   9  -2.710  -0.598   4.253
  101   2HG   LYS   9          1HG       LYS   9  -1.277  -0.162   5.185
  102   1HD   LYS   9          2HD       LYS   9  -0.984   1.419   2.966
  103   2HD   LYS   9          1HD       LYS   9  -2.738   1.392   3.147
  104   1HE   LYS   9          2HE       LYS   9  -2.680   2.458   5.217
  105   2HE   LYS   9          1HE       LYS   9  -1.049   1.862   5.589
  106   1HZ   LYS   9          1HZ       LYS   9  -0.520   3.210   3.397
  107   2HZ   LYS   9          2HZ       LYS   9  -0.512   3.955   4.923
  108   3HZ   LYS   9          3HZ       LYS   9  -1.864   4.111   3.906
  109    H    PHE  10           H        PHE  10  -1.170   0.685   0.997
  110    HA   PHE  10           HA       PHE  10  -3.571   2.152   1.379
  111   1HB   PHE  10          2HB       PHE  10  -1.058   2.571   0.329
  112   2HB   PHE  10          1HB       PHE  10  -2.071   2.652  -1.112
  113    HD1  PHE  10           HD1      PHE  10  -0.520   4.784   0.903
  114    HD2  PHE  10           HD2      PHE  10  -4.572   3.791  -0.122
  115    HE1  PHE  10           HE1      PHE  10  -1.241   7.072   1.535
  116    HE2  PHE  10           HE2      PHE  10  -5.292   6.078   0.509
  117    HZ   PHE  10           HZ       PHE  10  -3.628   7.718   1.337
  118    H    LEU  11           H        LEU  11  -2.693  -0.338  -0.834
  119    HA   LEU  11           HA       LEU  11  -4.809   0.160  -2.783
  120   1HB   LEU  11          2HB       LEU  11  -2.549  -1.643  -2.311
  121   2HB   LEU  11          1HB       LEU  11  -3.938  -2.475  -3.012
  122    HG   LEU  11           HG       LEU  11  -2.648   0.042  -4.101
  123   1HD1  LEU  11          1HD1      LEU  11  -2.724  -2.223  -5.890
  124   2HD1  LEU  11          2HD1      LEU  11  -1.933  -2.684  -4.383
  125   3HD1  LEU  11          3HD1      LEU  11  -1.323  -1.318  -5.317
  126   1HD2  LEU  11          1HD2      LEU  11  -5.255  -1.145  -4.473
  127   2HD2  LEU  11          2HD2      LEU  11  -4.351  -1.192  -5.985
  128   3HD2  LEU  11          3HD2      LEU  11  -4.612   0.345  -5.161
  129    H    HIS  12           H        HIS  12  -4.721  -1.111   0.343
  130    HA   HIS  12           HA       HIS  12  -6.991  -2.964  -0.087
  131   1HB   HIS  12          2HB       HIS  12  -4.855  -2.483   1.906
  132   2HB   HIS  12          1HB       HIS  12  -6.391  -3.046   2.559
  133    HD1  HIS  12           HD1      HIS  12  -6.555  -5.525   2.637
  134    HD2  HIS  12           HD2      HIS  12  -4.150  -4.254  -0.523
  135    HE1  HIS  12           HE1      HIS  12  -5.749  -7.619   1.461
  136    H    SER  13           H        SER  13  -6.120  -0.047   1.663
  137    HA   SER  13           HA       SER  13  -8.802   0.326   2.778
  138   1HB   SER  13          2HB       SER  13  -7.604   1.683   4.150
  139   2HB   SER  13          1HB       SER  13  -6.166   1.230   3.240
  140    HG   SER  13           HG       SER  13  -6.230   3.084   2.221
  141    H    ALA  14           H        ALA  14  -6.993   1.272  -0.004
  142    HA   ALA  14           HA       ALA  14  -8.866   3.386  -0.842
  143   1HB   ALA  14          1HB       ALA  14  -7.300   3.559  -2.719
  144   2HB   ALA  14          2HB       ALA  14  -6.562   2.019  -2.276
  145   3HB   ALA  14          3HB       ALA  14  -6.385   3.419  -1.217
  146    H    LYS  15           H        LYS  15  -9.317   0.221  -0.627
  147    HA   LYS  15           HA       LYS  15  -9.836  -1.010  -3.034
  148   1HB   LYS  15          2HB       LYS  15 -11.513  -2.244  -1.837
  149   2HB   LYS  15          1HB       LYS  15 -10.308  -1.765  -0.644
  150   1HG   LYS  15          2HG       LYS  15 -11.752   0.269  -0.161
  151   2HG   LYS  15          1HG       LYS  15 -12.999  -0.481  -1.157
  152   1HD   LYS  15          2HD       LYS  15 -11.717  -1.799   1.253
  153   2HD   LYS  15          1HD       LYS  15 -13.276  -0.975   1.279
  154   1HE   LYS  15          2HE       LYS  15 -14.324  -2.775   0.384
  155   2HE   LYS  15          1HE       LYS  15 -13.113  -2.910  -0.909
  156   1HZ   LYS  15          1HZ       LYS  15 -12.322  -3.593   1.831
  157   2HZ   LYS  15          2HZ       LYS  15 -11.757  -4.218   0.356
  158   3HZ   LYS  15          3HZ       LYS  15 -13.260  -4.715   0.971
  159    H    LYS  16           H        LYS  16 -11.392  -0.863  -4.666
  160    HA   LYS  16           HA       LYS  16 -12.698   1.682  -5.088
  161   1HB   LYS  16          2HB       LYS  16 -12.275  -0.905  -6.426
  162   2HB   LYS  16          1HB       LYS  16 -13.815  -0.149  -6.838
  163   1HG   LYS  16          2HG       LYS  16 -12.697   1.889  -7.523
  164   2HG   LYS  16          1HG       LYS  16 -11.145   1.280  -6.950
  165   1HD   LYS  16          2HD       LYS  16 -11.239   0.986  -9.357
  166   2HD   LYS  16          1HD       LYS  16 -11.343  -0.602  -8.597
  167   1HE   LYS  16          2HE       LYS  16 -13.979  -0.002  -8.706
  168   2HE   LYS  16          1HE       LYS  16 -13.409   0.893 -10.129
  169   1HZ   LYS  16          1HZ       LYS  16 -13.936  -1.619 -10.359
  170   2HZ   LYS  16          2HZ       LYS  16 -12.423  -1.834  -9.614
  171   3HZ   LYS  16          3HZ       LYS  16 -12.536  -0.996 -11.087
  172    H    PHE  17           H        PHE  17 -15.225   0.826  -6.111
  173    HA   PHE  17           HA       PHE  17 -16.901   0.997  -3.846
  174   1HB   PHE  17          2HB       PHE  17 -18.596   0.781  -5.463
  175   2HB   PHE  17          1HB       PHE  17 -17.236   1.375  -6.403
  176    HD1  PHE  17           HD1      PHE  17 -19.830  -0.722  -6.765
  177    HD2  PHE  17           HD2      PHE  17 -15.540  -0.910  -6.820
  178    HE1  PHE  17           HE1      PHE  17 -19.936  -2.744  -8.197
  179    HE2  PHE  17           HE2      PHE  17 -15.645  -2.931  -8.251
  180    HZ   PHE  17           HZ       PHE  17 -17.844  -3.848  -8.940
  181   1HN   NH2  18          1HN       NH2  18 -18.772  -1.225  -4.422
  182   2HN   NH2  18          2HN       NH2  18 -18.079  -2.634  -3.778
  Start of MODEL   10
    1   1H    LYS   1          1H        LYS   1   9.482  -2.066   5.842
    2   2H    LYS   1          2H        LYS   1   8.891  -0.844   6.864
    3   3H    LYS   1          3H        LYS   1  10.565  -1.044   6.654
    4    HA   LYS   1           HA       LYS   1   8.592   0.143   4.817
    5   1HB   LYS   1          2HB       LYS   1  10.984   0.798   6.376
    6   2HB   LYS   1          1HB       LYS   1  11.077   1.377   4.712
    7   1HG   LYS   1          2HG       LYS   1   8.446   1.929   5.562
    8   2HG   LYS   1          1HG       LYS   1   9.491   2.404   6.904
    9   1HD   LYS   1          2HD       LYS   1  10.633   3.211   4.359
   10   2HD   LYS   1          1HD       LYS   1   9.010   3.872   4.565
   11   1HE   LYS   1          2HE       LYS   1  10.394   5.486   5.618
   12   2HE   LYS   1          1HE       LYS   1   9.838   4.489   6.977
   13   1HZ   LYS   1          1HZ       LYS   1  12.423   4.371   5.548
   14   2HZ   LYS   1          2HZ       LYS   1  11.846   3.037   6.428
   15   3HZ   LYS   1          3HZ       LYS   1  12.144   4.514   7.216
   16    H    TRP   2           H        TRP   2   8.675  -1.937   3.476
   17    HA   TRP   2           HA       TRP   2  11.188  -2.580   2.108
   18   1HB   TRP   2          2HB       TRP   2   8.679  -3.760   2.631
   19   2HB   TRP   2          1HB       TRP   2   8.763  -3.582   0.877
   20    HD1  TRP   2           HD1      TRP   2   9.335  -5.996   0.177
   21    HE1  TRP   2           HE1      TRP   2  11.330  -7.571   0.617
   22    HE3  TRP   2           HE3      TRP   2  11.760  -3.354   3.811
   23    HZ2  TRP   2           HZ2      TRP   2  13.648  -7.693   2.288
   24    HZ3  TRP   2           HZ3      TRP   2  13.859  -4.219   4.807
   25    HH2  TRP   2           HH2      TRP   2  14.805  -6.384   4.050
   26    H    LYS   3           H        LYS   3  10.026  -2.998  -0.514
   27    HA   LYS   3           HA       LYS   3  10.460  -0.384  -1.683
   28   1HB   LYS   3          2HB       LYS   3   9.370  -2.982  -2.802
   29   2HB   LYS   3          1HB       LYS   3   9.956  -1.626  -3.766
   30   1HG   LYS   3          2HG       LYS   3  12.036  -2.077  -1.989
   31   2HG   LYS   3          1HG       LYS   3  11.471  -3.704  -2.370
   32   1HD   LYS   3          2HD       LYS   3  11.835  -3.413  -4.690
   33   2HD   LYS   3          1HD       LYS   3  11.945  -1.659  -4.536
   34   1HE   LYS   3          2HE       LYS   3  14.024  -2.049  -3.089
   35   2HE   LYS   3          1HE       LYS   3  13.980  -3.727  -3.669
   36   1HZ   LYS   3          1HZ       LYS   3  14.425  -1.254  -5.180
   37   2HZ   LYS   3          2HZ       LYS   3  13.612  -2.529  -5.953
   38   3HZ   LYS   3          3HZ       LYS   3  15.179  -2.764  -5.341
   39    H    LEU   4           H        LEU   4   7.843  -1.909  -3.222
   40    HA   LEU   4           HA       LEU   4   6.078   0.356  -2.676
   41   1HB   LEU   4          2HB       LEU   4   6.116  -2.124  -4.358
   42   2HB   LEU   4          1HB       LEU   4   4.572  -1.308  -4.106
   43    HG   LEU   4           HG       LEU   4   6.653   0.616  -4.714
   44   1HD1  LEU   4          1HD1      LEU   4   7.563  -1.443  -5.901
   45   2HD1  LEU   4          2HD1      LEU   4   7.229  -0.062  -6.944
   46   3HD1  LEU   4          3HD1      LEU   4   6.104  -1.418  -6.889
   47   1HD2  LEU   4          1HD2      LEU   4   4.599   1.469  -5.230
   48   2HD2  LEU   4          2HD2      LEU   4   3.907  -0.125  -5.532
   49   3HD2  LEU   4          3HD2      LEU   4   4.861   0.674  -6.781
   50    H    PHE   5           H        PHE   5   6.849  -2.149  -0.744
   51    HA   PHE   5           HA       PHE   5   4.515  -3.507  -0.018
   52   1HB   PHE   5          2HB       PHE   5   6.741  -3.968   0.887
   53   2HB   PHE   5          1HB       PHE   5   6.753  -2.403   1.704
   54    HD1  PHE   5           HD1      PHE   5   5.028  -5.696   1.551
   55    HD2  PHE   5           HD2      PHE   5   5.655  -2.089   3.799
   56    HE1  PHE   5           HE1      PHE   5   3.848  -6.699   3.488
   57    HE2  PHE   5           HE2      PHE   5   4.476  -3.092   5.735
   58    HZ   PHE   5           HZ       PHE   5   3.572  -5.397   5.580
   59    H    LYS   6           H        LYS   6   5.254  -0.161   0.374
   60    HA   LYS   6           HA       LYS   6   3.294   0.295   2.501
   61   1HB   LYS   6          2HB       LYS   6   4.031   2.555   2.349
   62   2HB   LYS   6          1HB       LYS   6   5.461   1.592   1.993
   63   1HG   LYS   6          2HG       LYS   6   3.761   2.352  -0.335
   64   2HG   LYS   6          1HG       LYS   6   4.674   3.642   0.436
   65   1HD   LYS   6          2HD       LYS   6   6.553   1.652   0.307
   66   2HD   LYS   6          1HD       LYS   6   5.635   1.370  -1.173
   67   1HE   LYS   6          2HE       LYS   6   6.148   4.220  -0.731
   68   2HE   LYS   6          1HE       LYS   6   7.643   3.274  -0.877
   69   1HZ   LYS   6          1HZ       LYS   6   7.050   2.472  -2.935
   70   2HZ   LYS   6          2HZ       LYS   6   6.409   4.043  -3.015
   71   3HZ   LYS   6          3HZ       LYS   6   5.391   2.723  -2.688
   72    H    LYS   7           H        LYS   7   3.250  -0.048  -0.882
   73    HA   LYS   7           HA       LYS   7   0.727   1.463  -1.245
   74   1HB   LYS   7          2HB       LYS   7   2.507  -0.130  -3.123
   75   2HB   LYS   7          1HB       LYS   7   1.126   0.843  -3.629
   76   1HG   LYS   7          2HG       LYS   7   3.515   1.939  -2.121
   77   2HG   LYS   7          1HG       LYS   7   3.321   2.032  -3.870
   78   1HD   LYS   7          2HD       LYS   7   1.858   3.749  -3.721
   79   2HD   LYS   7          1HD       LYS   7   0.948   2.964  -2.429
   80   1HE   LYS   7          2HE       LYS   7   3.626   3.932  -1.620
   81   2HE   LYS   7          1HE       LYS   7   2.466   5.205  -2.049
   82   1HZ   LYS   7          1HZ       LYS   7   1.696   2.913  -0.347
   83   2HZ   LYS   7          2HZ       LYS   7   0.907   4.407  -0.529
   84   3HZ   LYS   7          3HZ       LYS   7   2.374   4.316   0.322
   85    H    ILE   8           H        ILE   8   1.733  -1.629  -0.344
   86    HA   ILE   8           HA       ILE   8  -0.430  -3.142  -1.603
   87    HB   ILE   8           HB       ILE   8   1.580  -3.744   0.588
   88   1HG1  ILE   8          2HG1      ILE   8   2.630  -3.354  -1.576
   89   2HG1  ILE   8          1HG1      ILE   8   2.653  -5.087  -1.244
   90   1HG2  ILE   8          1HG2      ILE   8  -0.507  -5.443  -0.773
   91   2HG2  ILE   8          2HG2      ILE   8  -0.142  -5.311   0.949
   92   3HG2  ILE   8          3HG2      ILE   8   0.966  -6.166  -0.124
   93   1HD1  ILE   8          1HD1      ILE   8   1.871  -5.029  -3.446
   94   2HD1  ILE   8          2HD1      ILE   8   0.935  -3.559  -3.177
   95   3HD1  ILE   8          3HD1      ILE   8   0.369  -5.096  -2.524
   96    H    LYS   9           H        LYS   9   0.213  -1.565   1.430
   97    HA   LYS   9           HA       LYS   9  -2.124  -2.643   2.797
   98   1HB   LYS   9          2HB       LYS   9  -0.483  -2.013   4.308
   99   2HB   LYS   9          1HB       LYS   9   0.092  -0.705   3.275
  100   1HG   LYS   9          2HG       LYS   9  -2.626  -0.519   4.543
  101   2HG   LYS   9          1HG       LYS   9  -1.189  -0.122   5.486
  102   1HD   LYS   9          2HD       LYS   9  -0.664   1.222   3.169
  103   2HD   LYS   9          1HD       LYS   9  -2.423   1.326   3.213
  104   1HE   LYS   9          2HE       LYS   9  -1.181   3.227   4.406
  105   2HE   LYS   9          1HE       LYS   9  -2.382   2.376   5.397
  106   1HZ   LYS   9          1HZ       LYS   9   0.197   2.670   6.092
  107   2HZ   LYS   9          2HZ       LYS   9   0.238   1.149   5.334
  108   3HZ   LYS   9          3HZ       LYS   9  -0.803   1.418   6.650
  109    H    PHE  10           H        PHE  10  -1.218   0.289   1.114
  110    HA   PHE  10           HA       PHE  10  -3.742   1.666   1.527
  111   1HB   PHE  10          2HB       PHE  10  -1.874   3.047   1.117
  112   2HB   PHE  10          1HB       PHE  10  -1.268   1.995  -0.161
  113    HD1  PHE  10           HD1      PHE  10  -3.363   4.841   0.633
  114    HD2  PHE  10           HD2      PHE  10  -2.514   1.879  -2.361
  115    HE1  PHE  10           HE1      PHE  10  -4.533   6.221  -1.062
  116    HE2  PHE  10           HE2      PHE  10  -3.685   3.260  -4.055
  117    HZ   PHE  10           HZ       PHE  10  -4.694   5.430  -3.407
  118    H    LEU  11           H        LEU  11  -2.610  -0.803  -0.538
  119    HA   LEU  11           HA       LEU  11  -4.443  -0.343  -2.771
  120   1HB   LEU  11          2HB       LEU  11  -2.346  -2.240  -1.894
  121   2HB   LEU  11          1HB       LEU  11  -3.600  -2.949  -2.912
  122    HG   LEU  11           HG       LEU  11  -2.103  -0.410  -3.612
  123   1HD1  LEU  11          1HD1      LEU  11  -1.023  -2.947  -3.564
  124   2HD1  LEU  11          2HD1      LEU  11  -0.476  -1.637  -4.612
  125   3HD1  LEU  11          3HD1      LEU  11  -1.628  -2.829  -5.216
  126   1HD2  LEU  11          1HD2      LEU  11  -4.507  -1.384  -4.543
  127   2HD2  LEU  11          2HD2      LEU  11  -3.359  -2.063  -5.697
  128   3HD2  LEU  11          3HD2      LEU  11  -3.435  -0.319  -5.451
  129    H    HIS  12           H        HIS  12  -4.972  -1.265   0.366
  130    HA   HIS  12           HA       HIS  12  -7.206  -3.112  -0.360
  131   1HB   HIS  12          2HB       HIS  12  -5.098  -3.053   1.671
  132   2HB   HIS  12          1HB       HIS  12  -6.695  -3.344   2.355
  133    HD1  HIS  12           HD1      HIS  12  -7.391  -5.735   2.326
  134    HD2  HIS  12           HD2      HIS  12  -4.678  -4.898  -0.726
  135    HE1  HIS  12           HE1      HIS  12  -6.961  -7.926   1.130
  136    H    SER  13           H        SER  13  -6.235  -0.362   1.583
  137    HA   SER  13           HA       SER  13  -8.955   0.079   2.612
  138   1HB   SER  13          2HB       SER  13  -6.248   0.815   3.240
  139   2HB   SER  13          1HB       SER  13  -7.233   2.272   3.128
  140    HG   SER  13           HG       SER  13  -7.124   0.971   5.208
  141    H    ALA  14           H        ALA  14  -6.738   1.518   0.310
  142    HA   ALA  14           HA       ALA  14  -8.607   3.676  -0.421
  143   1HB   ALA  14          1HB       ALA  14  -5.915   3.434  -0.386
  144   2HB   ALA  14          2HB       ALA  14  -6.747   4.559  -1.459
  145   3HB   ALA  14          3HB       ALA  14  -6.219   2.988  -2.064
  146    H    LYS  15           H        LYS  15  -8.945   0.562  -0.924
  147    HA   LYS  15           HA       LYS  15  -8.944  -0.008  -3.679
  148   1HB   LYS  15          2HB       LYS  15 -10.827  -1.575  -2.996
  149   2HB   LYS  15          1HB       LYS  15  -9.381  -1.678  -1.990
  150   1HG   LYS  15          2HG       LYS  15 -10.590  -1.140  -0.174
  151   2HG   LYS  15          1HG       LYS  15 -11.071   0.379  -0.932
  152   1HD   LYS  15          2HD       LYS  15 -13.159  -0.551  -0.750
  153   2HD   LYS  15          1HD       LYS  15 -12.692  -1.309  -2.272
  154   1HE   LYS  15          2HE       LYS  15 -11.917  -2.669   0.291
  155   2HE   LYS  15          1HE       LYS  15 -13.592  -2.812  -0.281
  156   1HZ   LYS  15          1HZ       LYS  15 -11.100  -3.557  -1.698
  157   2HZ   LYS  15          2HZ       LYS  15 -12.554  -3.292  -2.535
  158   3HZ   LYS  15          3HZ       LYS  15 -12.453  -4.526  -1.372
  159    H    LYS  16           H        LYS  16 -11.020  -0.210  -5.041
  160    HA   LYS  16           HA       LYS  16 -12.289   2.424  -5.227
  161   1HB   LYS  16          2HB       LYS  16 -12.067  -0.106  -6.772
  162   2HB   LYS  16          1HB       LYS  16 -13.520   0.850  -7.066
  163   1HG   LYS  16          2HG       LYS  16 -12.056   2.854  -7.434
  164   2HG   LYS  16          1HG       LYS  16 -10.650   1.796  -7.305
  165   1HD   LYS  16          2HD       LYS  16 -11.923   0.385  -9.138
  166   2HD   LYS  16          1HD       LYS  16 -12.737   1.918  -9.457
  167   1HE   LYS  16          2HE       LYS  16 -10.738   1.709 -10.891
  168   2HE   LYS  16          1HE       LYS  16 -10.495   3.011  -9.711
  169   1HZ   LYS  16          1HZ       LYS  16  -9.798   0.486  -8.603
  170   2HZ   LYS  16          2HZ       LYS  16  -8.849   1.887  -8.754
  171   3HZ   LYS  16          3HZ       LYS  16  -8.920   0.766 -10.027
  172    H    PHE  17           H        PHE  17 -14.835   2.174  -5.809
  173    HA   PHE  17           HA       PHE  17 -16.059   0.907  -3.398
  174   1HB   PHE  17          2HB       PHE  17 -16.452   3.260  -3.579
  175   2HB   PHE  17          1HB       PHE  17 -16.834   3.133  -5.297
  176    HD1  PHE  17           HD1      PHE  17 -18.000   2.113  -1.902
  177    HD2  PHE  17           HD2      PHE  17 -19.047   2.709  -6.025
  178    HE1  PHE  17           HE1      PHE  17 -20.392   1.769  -1.345
  179    HE2  PHE  17           HE2      PHE  17 -21.440   2.365  -5.468
  180    HZ   PHE  17           HZ       PHE  17 -22.111   1.894  -3.128
  181   1HN   NH2  18          1HN       NH2  18 -15.497  -0.063  -6.487
  182   2HN   NH2  18          2HN       NH2  18 -16.931  -0.906  -6.821
  Start of MODEL   11
    1   1H    LYS   1          1H        LYS   1  16.125  -3.912   0.744
    2   2H    LYS   1          2H        LYS   1  17.523  -4.123  -0.199
    3   3H    LYS   1          3H        LYS   1  16.053  -3.698  -0.935
    4    HA   LYS   1           HA       LYS   1  17.813  -2.015   0.750
    5   1HB   LYS   1          2HB       LYS   1  16.527  -1.771  -1.994
    6   2HB   LYS   1          1HB       LYS   1  17.633  -0.598  -1.280
    7   1HG   LYS   1          2HG       LYS   1  18.261  -3.483  -1.972
    8   2HG   LYS   1          1HG       LYS   1  18.874  -2.048  -2.794
    9   1HD   LYS   1          2HD       LYS   1  20.601  -2.019  -1.352
   10   2HD   LYS   1          1HD       LYS   1  19.459  -1.697  -0.048
   11   1HE   LYS   1          2HE       LYS   1  19.637  -3.818   0.756
   12   2HE   LYS   1          1HE       LYS   1  19.490  -4.522  -0.865
   13   1HZ   LYS   1          1HZ       LYS   1  21.699  -4.564  -1.133
   14   2HZ   LYS   1          2HZ       LYS   1  21.793  -4.379   0.553
   15   3HZ   LYS   1          3HZ       LYS   1  21.916  -3.022  -0.461
   16    H    TRP   2           H        TRP   2  15.151  -0.878  -1.215
   17    HA   TRP   2           HA       TRP   2  13.993   0.520   1.085
   18   1HB   TRP   2          2HB       TRP   2  14.284   1.020  -1.571
   19   2HB   TRP   2          1HB       TRP   2  12.632   0.409  -1.557
   20    HD1  TRP   2           HD1      TRP   2  13.614   2.191   1.602
   21    HE1  TRP   2           HE1      TRP   2  12.501   4.513   1.666
   22    HE3  TRP   2           HE3      TRP   2  11.877   2.472  -3.194
   23    HZ2  TRP   2           HZ2      TRP   2  11.066   6.261  -0.083
   24    HZ3  TRP   2           HZ3      TRP   2  10.642   4.475  -3.967
   25    HH2  TRP   2           HH2      TRP   2  10.235   6.370  -2.419
   26    H    LYS   3           H        LYS   3  11.241   0.355   0.114
   27    HA   LYS   3           HA       LYS   3  10.453  -2.479   0.296
   28   1HB   LYS   3          2HB       LYS   3  10.986  -1.691   2.622
   29   2HB   LYS   3          1HB       LYS   3   9.707  -0.488   2.453
   30   1HG   LYS   3          2HG       LYS   3   8.116  -2.018   2.906
   31   2HG   LYS   3          1HG       LYS   3   8.756  -3.117   1.683
   32   1HD   LYS   3          2HD       LYS   3   9.899  -4.346   3.212
   33   2HD   LYS   3          1HD       LYS   3  10.417  -2.919   4.110
   34   1HE   LYS   3          2HE       LYS   3   8.328  -2.792   5.291
   35   2HE   LYS   3          1HE       LYS   3   7.582  -3.998   4.223
   36   1HZ   LYS   3          1HZ       LYS   3   9.955  -4.479   5.946
   37   2HZ   LYS   3          2HZ       LYS   3   9.189  -5.624   4.953
   38   3HZ   LYS   3          3HZ       LYS   3   8.378  -4.991   6.305
   39    H    LEU   4           H        LEU   4   9.280  -2.125  -1.621
   40    HA   LEU   4           HA       LEU   4   7.427   0.118  -1.920
   41   1HB   LEU   4          2HB       LEU   4   7.518  -2.440  -3.529
   42   2HB   LEU   4          1HB       LEU   4   7.068  -0.826  -4.077
   43    HG   LEU   4           HG       LEU   4   9.641  -0.479  -3.085
   44   1HD1  LEU   4          1HD1      LEU   4   9.252  -3.257  -3.771
   45   2HD1  LEU   4          2HD1      LEU   4  10.696  -2.465  -3.140
   46   3HD1  LEU   4          3HD1      LEU   4  10.409  -2.521  -4.880
   47   1HD2  LEU   4          1HD2      LEU   4   9.036  -1.149  -5.969
   48   2HD2  LEU   4          2HD2      LEU   4  10.181   0.035  -5.337
   49   3HD2  LEU   4          3HD2      LEU   4   8.448   0.339  -5.227
   50    H    PHE   5           H        PHE   5   7.264  -2.532   0.017
   51    HA   PHE   5           HA       PHE   5   4.683  -3.635  -0.521
   52   1HB   PHE   5          2HB       PHE   5   6.642  -3.490   1.741
   53   2HB   PHE   5          1HB       PHE   5   5.041  -4.153   2.048
   54    HD1  PHE   5           HD1      PHE   5   5.208  -6.490   2.136
   55    HD2  PHE   5           HD2      PHE   5   7.291  -4.336  -0.943
   56    HE1  PHE   5           HE1      PHE   5   5.902  -8.636   1.103
   57    HE2  PHE   5           HE2      PHE   5   7.984  -6.482  -1.975
   58    HZ   PHE   5           HZ       PHE   5   7.288  -8.631  -0.952
   59    H    LYS   6           H        LYS   6   5.745  -0.732   1.011
   60    HA   LYS   6           HA       LYS   6   3.448  -0.150   2.637
   61   1HB   LYS   6          2HB       LYS   6   4.374   2.224   2.336
   62   2HB   LYS   6          1HB       LYS   6   5.515   1.034   2.961
   63   1HG   LYS   6          2HG       LYS   6   6.861   1.281   1.173
   64   2HG   LYS   6          1HG       LYS   6   5.515   1.018   0.063
   65   1HD   LYS   6          2HD       LYS   6   5.412   3.633   1.389
   66   2HD   LYS   6          1HD       LYS   6   6.858   3.413   0.404
   67   1HE   LYS   6          2HE       LYS   6   4.518   2.389  -0.987
   68   2HE   LYS   6          1HE       LYS   6   4.305   4.095  -0.546
   69   1HZ   LYS   6          1HZ       LYS   6   6.333   4.674  -1.556
   70   2HZ   LYS   6          2HZ       LYS   6   5.568   3.652  -2.677
   71   3HZ   LYS   6          3HZ       LYS   6   6.828   3.059  -1.704
   72    H    LYS   7           H        LYS   7   3.786  -0.351  -0.717
   73    HA   LYS   7           HA       LYS   7   1.675   1.643  -1.302
   74   1HB   LYS   7          2HB       LYS   7   3.959   0.844  -2.573
   75   2HB   LYS   7          1HB       LYS   7   2.752  -0.135  -3.409
   76   1HG   LYS   7          2HG       LYS   7   3.057   2.031  -4.545
   77   2HG   LYS   7          1HG       LYS   7   1.431   1.897  -3.878
   78   1HD   LYS   7          2HD       LYS   7   2.915   2.984  -1.785
   79   2HD   LYS   7          1HD       LYS   7   3.549   3.796  -3.218
   80   1HE   LYS   7          2HE       LYS   7   0.567   3.519  -2.841
   81   2HE   LYS   7          1HE       LYS   7   1.456   4.838  -2.054
   82   1HZ   LYS   7          1HZ       LYS   7   0.684   5.402  -4.325
   83   2HZ   LYS   7          2HZ       LYS   7   1.674   4.164  -4.939
   84   3HZ   LYS   7          3HZ       LYS   7   2.368   5.497  -4.148
   85    H    ILE   8           H        ILE   8   1.908  -1.607  -0.440
   86    HA   ILE   8           HA       ILE   8  -0.339  -2.579  -2.061
   87    HB   ILE   8           HB       ILE   8   1.598  -3.639  -0.040
   88   1HG1  ILE   8          2HG1      ILE   8   0.608  -4.556  -2.757
   89   2HG1  ILE   8          1HG1      ILE   8   2.154  -3.780  -2.410
   90   1HG2  ILE   8          1HG2      ILE   8  -0.985  -5.035  -0.807
   91   2HG2  ILE   8          2HG2      ILE   8  -0.560  -4.459   0.804
   92   3HG2  ILE   8          3HG2      ILE   8   0.350  -5.782   0.074
   93   1HD1  ILE   8          1HD1      ILE   8   1.357  -6.586  -2.082
   94   2HD1  ILE   8          2HD1      ILE   8   2.137  -5.912  -0.651
   95   3HD1  ILE   8          3HD1      ILE   8   2.970  -5.882  -2.206
   96    H    LYS   9           H        LYS   9   0.280  -1.737   1.299
   97    HA   LYS   9           HA       LYS   9  -2.235  -2.434   2.405
   98   1HB   LYS   9          2HB       LYS   9  -1.563  -0.809   4.169
   99   2HB   LYS   9          1HB       LYS   9  -0.220  -1.850   3.696
  100   1HG   LYS   9          2HG       LYS   9   0.765   0.276   3.656
  101   2HG   LYS   9          1HG       LYS   9   0.303   0.046   1.970
  102   1HD   LYS   9          2HD       LYS   9  -0.921   1.925   2.098
  103   2HD   LYS   9          1HD       LYS   9  -1.972   1.110   3.256
  104   1HE   LYS   9          2HE       LYS   9  -0.899   2.051   5.106
  105   2HE   LYS   9          1HE       LYS   9   0.621   2.297   4.222
  106   1HZ   LYS   9          1HZ       LYS   9  -1.895   3.662   3.460
  107   2HZ   LYS   9          2HZ       LYS   9  -0.311   4.032   2.971
  108   3HZ   LYS   9          3HZ       LYS   9  -0.805   4.342   4.567
  109    H    PHE  10           H        PHE  10  -1.185   0.382   0.644
  110    HA   PHE  10           HA       PHE  10  -3.541   1.999   1.157
  111   1HB   PHE  10          2HB       PHE  10  -1.422   3.002   0.573
  112   2HB   PHE  10          1HB       PHE  10  -1.312   2.032  -0.893
  113    HD1  PHE  10           HD1      PHE  10  -1.831   3.099  -2.880
  114    HD2  PHE  10           HD2      PHE  10  -3.773   4.367   0.735
  115    HE1  PHE  10           HE1      PHE  10  -3.025   4.865  -4.143
  116    HE2  PHE  10           HE2      PHE  10  -4.969   6.136  -0.528
  117    HZ   PHE  10           HZ       PHE  10  -4.594   6.385  -2.968
  118    H    LEU  11           H        LEU  11  -2.753  -0.556  -0.986
  119    HA   LEU  11           HA       LEU  11  -4.805   0.038  -2.991
  120   1HB   LEU  11          2HB       LEU  11  -2.608  -1.822  -2.523
  121   2HB   LEU  11          1HB       LEU  11  -4.018  -2.621  -3.224
  122    HG   LEU  11           HG       LEU  11  -2.613  -0.169  -4.299
  123   1HD1  LEU  11          1HD1      LEU  11  -1.837  -1.546  -6.040
  124   2HD1  LEU  11          2HD1      LEU  11  -3.057  -2.782  -5.732
  125   3HD1  LEU  11          3HD1      LEU  11  -1.693  -2.596  -4.630
  126   1HD2  LEU  11          1HD2      LEU  11  -5.314  -1.252  -4.708
  127   2HD2  LEU  11          2HD2      LEU  11  -4.415  -1.033  -6.209
  128   3HD2  LEU  11          3HD2      LEU  11  -4.667   0.335  -5.124
  129    H    HIS  12           H        HIS  12  -4.828  -1.284   0.106
  130    HA   HIS  12           HA       HIS  12  -7.198  -2.992  -0.442
  131   1HB   HIS  12          2HB       HIS  12  -4.976  -2.893   1.463
  132   2HB   HIS  12          1HB       HIS  12  -6.532  -3.187   2.239
  133    HD1  HIS  12           HD1      HIS  12  -6.601  -5.671   2.587
  134    HD2  HIS  12           HD2      HIS  12  -5.298  -4.670  -1.245
  135    HE1  HIS  12           HE1      HIS  12  -6.385  -7.849   1.313
  136    H    SER  13           H        SER  13  -6.142  -0.192   1.373
  137    HA   SER  13           HA       SER  13  -8.755   0.229   2.639
  138   1HB   SER  13          2HB       SER  13  -7.306   2.517   3.010
  139   2HB   SER  13          1HB       SER  13  -7.135   1.081   4.016
  140    HG   SER  13           HG       SER  13  -5.274   0.657   3.092
  141    H    ALA  14           H        ALA  14  -7.323   0.935  -0.360
  142    HA   ALA  14           HA       ALA  14  -8.535   3.453  -0.999
  143   1HB   ALA  14          1HB       ALA  14  -7.278   1.146  -2.400
  144   2HB   ALA  14          2HB       ALA  14  -6.855   2.857  -2.466
  145   3HB   ALA  14          3HB       ALA  14  -8.235   2.253  -3.384
  146    H    LYS  15           H        LYS  15  -9.449   0.218  -2.081
  147    HA   LYS  15           HA       LYS  15 -11.935   0.855  -3.248
  148   1HB   LYS  15          2HB       LYS  15 -10.559  -1.532  -2.129
  149   2HB   LYS  15          1HB       LYS  15 -12.299  -1.683  -2.377
  150   1HG   LYS  15          2HG       LYS  15 -10.244  -0.878  -4.458
  151   2HG   LYS  15          1HG       LYS  15 -11.151  -2.392  -4.407
  152   1HD   LYS  15          2HD       LYS  15 -13.157  -0.509  -4.280
  153   2HD   LYS  15          1HD       LYS  15 -11.991   0.262  -5.354
  154   1HE   LYS  15          2HE       LYS  15 -12.046  -2.387  -6.240
  155   2HE   LYS  15          1HE       LYS  15 -13.743  -2.010  -5.885
  156   1HZ   LYS  15          1HZ       LYS  15 -13.731  -0.193  -7.289
  157   2HZ   LYS  15          2HZ       LYS  15 -12.760  -1.291  -8.150
  158   3HZ   LYS  15          3HZ       LYS  15 -12.043  -0.035  -7.259
  159    H    LYS  16           H        LYS  16 -13.856  -0.737  -1.981
  160    HA   LYS  16           HA       LYS  16 -14.942   1.071  -0.028
  161   1HB   LYS  16          2HB       LYS  16 -15.614  -1.421  -1.424
  162   2HB   LYS  16          1HB       LYS  16 -16.303  -1.333   0.196
  163   1HG   LYS  16          2HG       LYS  16 -16.788   1.197  -0.729
  164   2HG   LYS  16          1HG       LYS  16 -16.947   0.249  -2.208
  165   1HD   LYS  16          2HD       LYS  16 -18.948  -0.532  -1.542
  166   2HD   LYS  16          1HD       LYS  16 -18.246  -1.134  -0.039
  167   1HE   LYS  16          2HE       LYS  16 -18.950   0.689   1.166
  168   2HE   LYS  16          1HE       LYS  16 -18.656   1.809  -0.179
  169   1HZ   LYS  16          1HZ       LYS  16 -20.557   0.392  -1.270
  170   2HZ   LYS  16          2HZ       LYS  16 -20.923   1.702  -0.252
  171   3HZ   LYS  16          3HZ       LYS  16 -20.990   0.114   0.347
  172    H    PHE  17           H        PHE  17 -12.535  -1.250   0.299
  173    HA   PHE  17           HA       PHE  17 -13.250  -2.185   2.991
  174   1HB   PHE  17          2HB       PHE  17 -11.874  -3.252   0.983
  175   2HB   PHE  17          1HB       PHE  17 -10.534  -2.411   1.756
  176    HD1  PHE  17           HD1      PHE  17 -12.284  -5.434   1.668
  177    HD2  PHE  17           HD2      PHE  17 -10.528  -2.663   4.441
  178    HE1  PHE  17           HE1      PHE  17 -12.132  -7.232   3.368
  179    HE2  PHE  17           HE2      PHE  17 -10.377  -4.461   6.142
  180    HZ   PHE  17           HZ       PHE  17 -11.178  -6.746   5.605
  181   1HN   NH2  18          1HN       NH2  18 -13.311   0.477   3.409
  182   2HN   NH2  18          2HN       NH2  18 -11.886   1.068   4.114
  Start of MODEL   12
    1   1H    LYS   1          1H        LYS   1  17.888  -2.291  -2.962
    2   2H    LYS   1          2H        LYS   1  17.210  -0.985  -2.115
    3   3H    LYS   1          3H        LYS   1  16.645  -1.379  -3.667
    4    HA   LYS   1           HA       LYS   1  16.115  -3.678  -2.561
    5   1HB   LYS   1          2HB       LYS   1  17.181  -2.075  -0.483
    6   2HB   LYS   1          1HB       LYS   1  15.458  -2.235  -0.144
    7   1HG   LYS   1          2HG       LYS   1  16.299  -4.154   0.876
    8   2HG   LYS   1          1HG       LYS   1  15.874  -4.770  -0.722
    9   1HD   LYS   1          2HD       LYS   1  18.049  -5.569  -0.505
   10   2HD   LYS   1          1HD       LYS   1  18.332  -4.036  -1.330
   11   1HE   LYS   1          2HE       LYS   1  18.482  -3.065   1.121
   12   2HE   LYS   1          1HE       LYS   1  18.835  -4.750   1.548
   13   1HZ   LYS   1          1HZ       LYS   1  20.910  -4.195   0.903
   14   2HZ   LYS   1          2HZ       LYS   1  20.392  -2.883  -0.042
   15   3HZ   LYS   1          3HZ       LYS   1  20.304  -4.463  -0.659
   16    H    TRP   2           H        TRP   2  15.098  -0.289  -2.005
   17    HA   TRP   2           HA       TRP   2  12.997   0.742  -2.378
   18   1HB   TRP   2          2HB       TRP   2  13.539  -1.208  -4.416
   19   2HB   TRP   2          1HB       TRP   2  11.812  -1.229  -4.068
   20    HD1  TRP   2           HD1      TRP   2  11.321   1.789  -3.419
   21    HE1  TRP   2           HE1      TRP   2  11.483   3.560  -5.288
   22    HE3  TRP   2           HE3      TRP   2  14.203  -0.744  -6.784
   23    HZ2  TRP   2           HZ2      TRP   2  12.680   3.859  -7.871
   24    HZ3  TRP   2           HZ3      TRP   2  14.840   0.302  -8.936
   25    HH2  TRP   2           HH2      TRP   2  14.083   2.600  -9.485
   26    H    LYS   3           H        LYS   3  10.661   0.435  -1.856
   27    HA   LYS   3           HA       LYS   3   9.976  -2.138  -0.533
   28   1HB   LYS   3          2HB       LYS   3   9.123  -0.583   1.417
   29   2HB   LYS   3          1HB       LYS   3  10.825  -1.031   1.344
   30   1HG   LYS   3          2HG       LYS   3  10.319   1.338  -0.258
   31   2HG   LYS   3          1HG       LYS   3   9.775   1.573   1.402
   32   1HD   LYS   3          2HD       LYS   3  11.920   1.106   2.295
   33   2HD   LYS   3          1HD       LYS   3  12.481   0.387   0.786
   34   1HE   LYS   3          2HE       LYS   3  12.874   2.445  -0.206
   35   2HE   LYS   3          1HE       LYS   3  11.596   3.251   0.725
   36   1HZ   LYS   3          1HZ       LYS   3  12.967   3.623   2.442
   37   2HZ   LYS   3          2HZ       LYS   3  14.226   3.350   1.336
   38   3HZ   LYS   3          3HZ       LYS   3  13.687   2.092   2.341
   39    H    LEU   4           H        LEU   4   8.310  -2.473  -2.051
   40    HA   LEU   4           HA       LEU   4   6.342  -0.366  -2.628
   41   1HB   LEU   4          2HB       LEU   4   6.465  -3.325  -3.305
   42   2HB   LEU   4          1HB       LEU   4   5.387  -2.146  -4.052
   43    HG   LEU   4           HG       LEU   4   8.404  -1.901  -4.095
   44   1HD1  LEU   4          1HD1      LEU   4   8.146  -2.621  -6.504
   45   2HD1  LEU   4          2HD1      LEU   4   6.487  -3.086  -6.123
   46   3HD1  LEU   4          3HD1      LEU   4   7.836  -3.901  -5.331
   47   1HD2  LEU   4          1HD2      LEU   4   7.983   0.120  -5.001
   48   2HD2  LEU   4          2HD2      LEU   4   6.259  -0.137  -4.729
   49   3HD2  LEU   4          3HD2      LEU   4   6.993  -0.633  -6.254
   50    H    PHE   5           H        PHE   5   6.834  -2.162   0.053
   51    HA   PHE   5           HA       PHE   5   4.337  -3.423   0.604
   52   1HB   PHE   5          2HB       PHE   5   6.827  -2.793   1.883
   53   2HB   PHE   5          1HB       PHE   5   5.507  -2.413   2.988
   54    HD1  PHE   5           HD1      PHE   5   7.682  -4.945   2.052
   55    HD2  PHE   5           HD2      PHE   5   3.512  -4.288   2.844
   56    HE1  PHE   5           HE1      PHE   5   7.395  -7.359   2.544
   57    HE2  PHE   5           HE2      PHE   5   3.226  -6.703   3.335
   58    HZ   PHE   5           HZ       PHE   5   5.167  -8.236   3.184
   59    H    LYS   6           H        LYS   6   5.447  -0.127   1.034
   60    HA   LYS   6           HA       LYS   6   3.135   0.758   2.558
   61   1HB   LYS   6          2HB       LYS   6   4.181   2.894   2.383
   62   2HB   LYS   6          1HB       LYS   6   5.516   1.741   2.408
   63   1HG   LYS   6          2HG       LYS   6   6.137   3.019   0.582
   64   2HG   LYS   6          1HG       LYS   6   5.155   1.798  -0.228
   65   1HD   LYS   6          2HD       LYS   6   3.942   3.522  -1.050
   66   2HD   LYS   6          1HD       LYS   6   3.289   3.692   0.581
   67   1HE   LYS   6          2HE       LYS   6   5.927   4.983  -0.072
   68   2HE   LYS   6          1HE       LYS   6   4.420   5.777  -0.565
   69   1HZ   LYS   6          1HZ       LYS   6   5.494   5.387   2.078
   70   2HZ   LYS   6          2HZ       LYS   6   3.870   4.906   1.942
   71   3HZ   LYS   6          3HZ       LYS   6   4.327   6.491   1.539
   72    H    LYS   7           H        LYS   7   3.454  -0.192  -0.624
   73    HA   LYS   7           HA       LYS   7   1.364   1.711  -1.587
   74   1HB   LYS   7          2HB       LYS   7   3.299   1.752  -2.970
   75   2HB   LYS   7          1HB       LYS   7   3.474  -0.002  -2.905
   76   1HG   LYS   7          2HG       LYS   7   1.816  -0.367  -4.465
   77   2HG   LYS   7          1HG       LYS   7   0.931   1.091  -4.019
   78   1HD   LYS   7          2HD       LYS   7   3.536   1.803  -5.037
   79   2HD   LYS   7          1HD       LYS   7   2.698   0.772  -6.197
   80   1HE   LYS   7          2HE       LYS   7   0.688   2.490  -5.366
   81   2HE   LYS   7          1HE       LYS   7   2.114   3.545  -5.423
   82   1HZ   LYS   7          1HZ       LYS   7   2.393   3.219  -7.629
   83   2HZ   LYS   7          2HZ       LYS   7   0.724   2.905  -7.589
   84   3HZ   LYS   7          3HZ       LYS   7   1.833   1.619  -7.589
   85    H    ILE   8           H        ILE   8   1.939  -1.520  -0.646
   86    HA   ILE   8           HA       ILE   8  -0.278  -2.670  -2.194
   87    HB   ILE   8           HB       ILE   8   1.576  -3.709  -0.040
   88   1HG1  ILE   8          2HG1      ILE   8   1.460  -4.185  -3.037
   89   2HG1  ILE   8          1HG1      ILE   8   2.636  -3.160  -2.211
   90   1HG2  ILE   8          1HG2      ILE   8  -0.195  -5.188   0.178
   91   2HG2  ILE   8          2HG2      ILE   8   0.679  -5.951  -1.148
   92   3HG2  ILE   8          3HG2      ILE   8  -0.733  -4.951  -1.485
   93   1HD1  ILE   8          1HD1      ILE   8   3.753  -5.232  -2.486
   94   2HD1  ILE   8          2HD1      ILE   8   2.320  -6.157  -2.037
   95   3HD1  ILE   8          3HD1      ILE   8   3.203  -5.247  -0.811
   96    H    LYS   9           H        LYS   9   0.368  -1.618   1.079
   97    HA   LYS   9           HA       LYS   9  -2.027  -2.687   2.252
   98   1HB   LYS   9          2HB       LYS   9  -0.961  -1.946   4.109
   99   2HB   LYS   9          1HB       LYS   9   0.315  -1.361   3.049
  100   1HG   LYS   9          2HG       LYS   9  -2.148   0.254   3.762
  101   2HG   LYS   9          1HG       LYS   9  -0.605   0.393   4.605
  102   1HD   LYS   9          2HD       LYS   9  -0.115   0.532   1.785
  103   2HD   LYS   9          1HD       LYS   9  -1.396   1.675   2.189
  104   1HE   LYS   9          2HE       LYS   9   0.489   1.950   4.263
  105   2HE   LYS   9          1HE       LYS   9   1.444   1.863   2.772
  106   1HZ   LYS   9          1HZ       LYS   9  -1.017   3.424   2.667
  107   2HZ   LYS   9          2HZ       LYS   9   0.483   3.712   1.926
  108   3HZ   LYS   9          3HZ       LYS   9   0.257   4.091   3.565
  109    H    PHE  10           H        PHE  10  -1.339   0.141   0.381
  110    HA   PHE  10           HA       PHE  10  -3.742   1.602   1.125
  111   1HB   PHE  10          2HB       PHE  10  -1.514   2.488   0.187
  112   2HB   PHE  10          1HB       PHE  10  -2.097   1.935  -1.384
  113    HD1  PHE  10           HD1      PHE  10  -3.687   3.635   1.567
  114    HD2  PHE  10           HD2      PHE  10  -2.950   3.686  -2.665
  115    HE1  PHE  10           HE1      PHE  10  -5.063   5.689   1.351
  116    HE2  PHE  10           HE2      PHE  10  -4.326   5.738  -2.880
  117    HZ   PHE  10           HZ       PHE  10  -5.380   6.741  -0.872
  118    H    LEU  11           H        LEU  11  -2.816  -0.613  -1.431
  119    HA   LEU  11           HA       LEU  11  -5.113  -0.284  -3.102
  120   1HB   LEU  11          2HB       LEU  11  -3.008  -2.359  -2.599
  121   2HB   LEU  11          1HB       LEU  11  -4.387  -2.790  -3.614
  122    HG   LEU  11           HG       LEU  11  -3.484  -0.194  -4.400
  123   1HD1  LEU  11          1HD1      LEU  11  -1.233  -0.288  -4.379
  124   2HD1  LEU  11          2HD1      LEU  11  -1.245  -1.892  -5.113
  125   3HD1  LEU  11          3HD1      LEU  11  -1.361  -1.722  -3.363
  126   1HD2  LEU  11          1HD2      LEU  11  -4.341  -1.258  -6.202
  127   2HD2  LEU  11          2HD2      LEU  11  -4.031  -2.849  -5.506
  128   3HD2  LEU  11          3HD2      LEU  11  -2.750  -1.997  -6.370
  129    H    HIS  12           H        HIS  12  -4.808  -1.548   0.031
  130    HA   HIS  12           HA       HIS  12  -7.132  -3.351  -0.184
  131   1HB   HIS  12          2HB       HIS  12  -4.994  -2.688   1.818
  132   2HB   HIS  12          1HB       HIS  12  -6.402  -3.623   2.296
  133    HD1  HIS  12           HD1      HIS  12  -4.558  -5.600   2.641
  134    HD2  HIS  12           HD2      HIS  12  -5.302  -4.439  -1.292
  135    HE1  HIS  12           HE1      HIS  12  -3.631  -7.437   1.164
  136    H    SER  13           H        SER  13  -6.089  -0.590   1.766
  137    HA   SER  13           HA       SER  13  -8.807  -0.136   2.779
  138   1HB   SER  13          2HB       SER  13  -6.226   1.417   3.093
  139   2HB   SER  13          1HB       SER  13  -7.679   1.638   4.064
  140    HG   SER  13           HG       SER  13  -5.999   0.223   4.955
  141    H    ALA  14           H        ALA  14  -6.753   1.109   0.278
  142    HA   ALA  14           HA       ALA  14  -8.340   3.556  -0.133
  143   1HB   ALA  14          1HB       ALA  14  -6.619   4.116  -1.606
  144   2HB   ALA  14          2HB       ALA  14  -6.350   2.440  -2.084
  145   3HB   ALA  14          3HB       ALA  14  -5.777   3.010  -0.517
  146    H    LYS  15           H        LYS  15  -9.281   0.558  -0.572
  147    HA   LYS  15           HA       LYS  15  -9.848   0.008  -3.251
  148   1HB   LYS  15          2HB       LYS  15 -11.862  -1.139  -2.291
  149   2HB   LYS  15          1HB       LYS  15 -10.391  -1.457  -1.370
  150   1HG   LYS  15          2HG       LYS  15 -11.005   0.115   0.328
  151   2HG   LYS  15          1HG       LYS  15 -12.312   0.770  -0.657
  152   1HD   LYS  15          2HD       LYS  15 -12.709  -2.053  -0.408
  153   2HD   LYS  15          1HD       LYS  15 -12.432  -1.390   1.203
  154   1HE   LYS  15          2HE       LYS  15 -14.266   0.113   1.023
  155   2HE   LYS  15          1HE       LYS  15 -14.365  -0.094  -0.737
  156   1HZ   LYS  15          1HZ       LYS  15 -15.862  -1.674  -0.257
  157   2HZ   LYS  15          2HZ       LYS  15 -15.381  -1.790   1.368
  158   3HZ   LYS  15          3HZ       LYS  15 -14.527  -2.631   0.164
  159    H    LYS  16           H        LYS  16 -12.305   0.160  -4.081
  160    HA   LYS  16           HA       LYS  16 -12.855   3.003  -4.491
  161   1HB   LYS  16          2HB       LYS  16 -14.458   0.548  -5.275
  162   2HB   LYS  16          1HB       LYS  16 -14.518   2.135  -6.039
  163   1HG   LYS  16          2HG       LYS  16 -12.593   1.789  -7.215
  164   2HG   LYS  16          1HG       LYS  16 -11.830   0.900  -5.895
  165   1HD   LYS  16          2HD       LYS  16 -12.271  -1.003  -7.016
  166   2HD   LYS  16          1HD       LYS  16 -13.985  -0.708  -6.724
  167   1HE   LYS  16          2HE       LYS  16 -14.236  -0.499  -8.968
  168   2HE   LYS  16          1HE       LYS  16 -13.279   0.992  -8.871
  169   1HZ   LYS  16          1HZ       LYS  16 -11.295  -0.618  -8.749
  170   2HZ   LYS  16          2HZ       LYS  16 -12.010  -0.334 -10.264
  171   3HZ   LYS  16          3HZ       LYS  16 -12.360  -1.760  -9.408
  172    H    PHE  17           H        PHE  17 -14.906   4.030  -3.910
  173    HA   PHE  17           HA       PHE  17 -16.332   2.683  -1.639
  174   1HB   PHE  17          2HB       PHE  17 -14.647   4.574  -1.152
  175   2HB   PHE  17          1HB       PHE  17 -15.819   5.648  -1.914
  176    HD1  PHE  17           HD1      PHE  17 -14.783   4.360   1.158
  177    HD2  PHE  17           HD2      PHE  17 -18.358   5.178  -1.079
  178    HE1  PHE  17           HE1      PHE  17 -16.086   4.438   3.268
  179    HE2  PHE  17           HE2      PHE  17 -19.660   5.258   1.030
  180    HZ   PHE  17           HZ       PHE  17 -18.524   4.888   3.204
  181   1HN   NH2  18          1HN       NH2  18 -16.583   4.967  -4.390
  182   2HN   NH2  18          2HN       NH2  18 -18.276   4.914  -4.499
  Start of MODEL   13
    1   1H    LYS   1          1H        LYS   1  16.251  -2.493  -4.684
    2   2H    LYS   1          2H        LYS   1  15.533  -3.603  -3.618
    3   3H    LYS   1          3H        LYS   1  16.220  -2.169  -3.021
    4    HA   LYS   1           HA       LYS   1  14.381  -0.968  -3.422
    5   1HB   LYS   1          2HB       LYS   1  15.163  -1.819  -5.967
    6   2HB   LYS   1          1HB       LYS   1  13.465  -2.279  -5.870
    7   1HG   LYS   1          2HG       LYS   1  13.261  -0.090  -6.605
    8   2HG   LYS   1          1HG       LYS   1  13.202   0.156  -4.860
    9   1HD   LYS   1          2HD       LYS   1  15.095   1.371  -4.912
   10   2HD   LYS   1          1HD       LYS   1  15.949   0.077  -5.753
   11   1HE   LYS   1          2HE       LYS   1  15.923   1.315  -7.647
   12   2HE   LYS   1          1HE       LYS   1  14.148   1.308  -7.618
   13   1HZ   LYS   1          1HZ       LYS   1  15.917   3.152  -6.098
   14   2HZ   LYS   1          2HZ       LYS   1  14.223   3.105  -5.981
   15   3HZ   LYS   1          3HZ       LYS   1  14.964   3.567  -7.437
   16    H    TRP   2           H        TRP   2  13.519  -2.255  -1.582
   17    HA   TRP   2           HA       TRP   2  11.363  -4.142  -2.469
   18   1HB   TRP   2          2HB       TRP   2  11.918  -5.541  -0.583
   19   2HB   TRP   2          1HB       TRP   2  13.430  -5.178  -1.417
   20    HD1  TRP   2           HD1      TRP   2  14.754  -2.909  -0.370
   21    HE1  TRP   2           HE1      TRP   2  15.105  -2.316   2.114
   22    HE3  TRP   2           HE3      TRP   2  11.076  -5.752   1.743
   23    HZ2  TRP   2           HZ2      TRP   2  13.979  -2.965   4.659
   24    HZ3  TRP   2           HZ3      TRP   2  10.738  -5.748   4.199
   25    HH2  TRP   2           HH2      TRP   2  12.184  -4.360   5.658
   26    H    LYS   3           H        LYS   3  11.440  -1.172  -1.676
   27    HA   LYS   3           HA       LYS   3   9.903  -1.132   0.852
   28   1HB   LYS   3          2HB       LYS   3  11.645   0.567  -0.495
   29   2HB   LYS   3          1HB       LYS   3  10.070   1.317  -0.753
   30   1HG   LYS   3          2HG       LYS   3  11.049   2.179   1.314
   31   2HG   LYS   3          1HG       LYS   3   9.643   1.185   1.699
   32   1HD   LYS   3          2HD       LYS   3  10.945  -0.582   2.504
   33   2HD   LYS   3          1HD       LYS   3  12.372  -0.070   1.603
   34   1HE   LYS   3          2HE       LYS   3  12.147   2.095   3.145
   35   2HE   LYS   3          1HE       LYS   3  11.322   0.945   4.216
   36   1HZ   LYS   3          1HZ       LYS   3  13.277  -0.593   3.568
   37   2HZ   LYS   3          2HZ       LYS   3  13.522   0.595   4.757
   38   3HZ   LYS   3          3HZ       LYS   3  14.073   0.850   3.169
   39    H    LEU   4           H        LEU   4   8.733  -2.532  -1.473
   40    HA   LEU   4           HA       LEU   4   6.639  -0.754  -2.532
   41   1HB   LEU   4          2HB       LEU   4   6.900  -3.760  -2.773
   42   2HB   LEU   4          1HB       LEU   4   6.103  -2.654  -3.892
   43    HG   LEU   4           HG       LEU   4   9.065  -2.495  -3.285
   44   1HD1  LEU   4          1HD1      LEU   4   8.039  -3.680  -5.827
   45   2HD1  LEU   4          2HD1      LEU   4   8.039  -4.701  -4.389
   46   3HD1  LEU   4          3HD1      LEU   4   9.548  -3.994  -4.970
   47   1HD2  LEU   4          1HD2      LEU   4   7.775  -0.533  -4.290
   48   2HD2  LEU   4          2HD2      LEU   4   7.499  -1.557  -5.699
   49   3HD2  LEU   4          3HD2      LEU   4   9.143  -1.114  -5.240
   50    H    PHE   5           H        PHE   5   6.996  -2.242   0.409
   51    HA   PHE   5           HA       PHE   5   4.378  -3.469   0.699
   52   1HB   PHE   5          2HB       PHE   5   6.830  -3.100   2.179
   53   2HB   PHE   5          1HB       PHE   5   5.448  -2.744   3.213
   54    HD1  PHE   5           HD1      PHE   5   3.440  -4.460   3.042
   55    HD2  PHE   5           HD2      PHE   5   7.492  -5.323   1.912
   56    HE1  PHE   5           HE1      PHE   5   2.988  -6.889   3.277
   57    HE2  PHE   5           HE2      PHE   5   7.042  -7.750   2.146
   58    HZ   PHE   5           HZ       PHE   5   4.790  -8.533   2.828
   59    H    LYS   6           H        LYS   6   5.599  -0.258   0.936
   60    HA   LYS   6           HA       LYS   6   3.362   0.737   2.576
   61   1HB   LYS   6          2HB       LYS   6   4.513   2.923   2.148
   62   2HB   LYS   6          1HB       LYS   6   5.596   1.698   2.804
   63   1HG   LYS   6          2HG       LYS   6   6.564   1.273   0.651
   64   2HG   LYS   6          1HG       LYS   6   5.316   2.217  -0.165
   65   1HD   LYS   6          2HD       LYS   6   6.223   4.124   1.477
   66   2HD   LYS   6          1HD       LYS   6   7.691   3.147   1.390
   67   1HE   LYS   6          2HE       LYS   6   7.189   3.193  -1.216
   68   2HE   LYS   6          1HE       LYS   6   6.304   4.671  -0.789
   69   1HZ   LYS   6          1HZ       LYS   6   8.951   4.222   0.394
   70   2HZ   LYS   6          2HZ       LYS   6   8.173   5.684   0.015
   71   3HZ   LYS   6          3HZ       LYS   6   8.875   4.746  -1.216
   72    H    LYS   7           H        LYS   7   3.209  -0.451  -0.347
   73    HA   LYS   7           HA       LYS   7   1.435   1.722  -1.380
   74   1HB   LYS   7          2HB       LYS   7   3.527   1.698  -2.625
   75   2HB   LYS   7          1HB       LYS   7   3.396  -0.045  -2.864
   76   1HG   LYS   7          2HG       LYS   7   2.314   0.410  -4.792
   77   2HG   LYS   7          1HG       LYS   7   0.963   0.959  -3.800
   78   1HD   LYS   7          2HD       LYS   7   1.608   2.712  -5.396
   79   2HD   LYS   7          1HD       LYS   7   1.942   3.236  -3.745
   80   1HE   LYS   7          2HE       LYS   7   3.980   3.774  -4.719
   81   2HE   LYS   7          1HE       LYS   7   4.318   2.081  -4.304
   82   1HZ   LYS   7          1HZ       LYS   7   2.860   2.549  -6.780
   83   2HZ   LYS   7          2HZ       LYS   7   4.066   1.404  -6.431
   84   3HZ   LYS   7          3HZ       LYS   7   4.493   3.010  -6.787
   85    H    ILE   8           H        ILE   8   2.000  -1.679  -0.923
   86    HA   ILE   8           HA       ILE   8  -0.331  -2.532  -2.474
   87    HB   ILE   8           HB       ILE   8   1.340  -4.030  -0.437
   88   1HG1  ILE   8          2HG1      ILE   8   1.770  -3.705  -3.424
   89   2HG1  ILE   8          1HG1      ILE   8   2.763  -2.975  -2.163
   90   1HG2  ILE   8          1HG2      ILE   8   0.624  -6.010  -1.647
   91   2HG2  ILE   8          2HG2      ILE   8  -0.198  -5.020  -2.854
   92   3HG2  ILE   8          3HG2      ILE   8  -0.809  -5.082  -1.199
   93   1HD1  ILE   8          1HD1      ILE   8   3.900  -4.970  -2.867
   94   2HD1  ILE   8          2HD1      ILE   8   2.421  -5.923  -2.751
   95   3HD1  ILE   8          3HD1      ILE   8   3.194  -5.314  -1.288
   96    H    LYS   9           H        LYS   9   0.377  -1.577   0.761
   97    HA   LYS   9           HA       LYS   9  -1.981  -2.772   1.988
   98   1HB   LYS   9          2HB       LYS   9  -0.547  -2.363   3.709
   99   2HB   LYS   9          1HB       LYS   9   0.420  -1.289   2.704
  100   1HG   LYS   9          2HG       LYS   9  -2.187  -0.415   3.972
  101   2HG   LYS   9          1HG       LYS   9  -0.628  -0.227   4.777
  102   1HD   LYS   9          2HD       LYS   9  -0.265   0.742   2.148
  103   2HD   LYS   9          1HD       LYS   9  -1.804   1.405   2.702
  104   1HE   LYS   9          2HE       LYS   9   0.189   1.527   4.820
  105   2HE   LYS   9          1HE       LYS   9   0.740   2.384   3.365
  106   1HZ   LYS   9          1HZ       LYS   9  -2.024   2.656   4.390
  107   2HZ   LYS   9          2HZ       LYS   9  -1.202   3.660   3.293
  108   3HZ   LYS   9          3HZ       LYS   9  -0.774   3.664   4.938
  109    H    PHE  10           H        PHE  10  -1.140   0.183   0.400
  110    HA   PHE  10           HA       PHE  10  -3.527   1.659   1.222
  111   1HB   PHE  10          2HB       PHE  10  -1.844   3.149   0.755
  112   2HB   PHE  10          1HB       PHE  10  -1.050   2.039  -0.357
  113    HD1  PHE  10           HD1      PHE  10  -2.133   1.687  -2.673
  114    HD2  PHE  10           HD2      PHE  10  -3.131   4.946  -0.059
  115    HE1  PHE  10           HE1      PHE  10  -3.076   2.937  -4.595
  116    HE2  PHE  10           HE2      PHE  10  -4.074   6.198  -1.981
  117    HZ   PHE  10           HZ       PHE  10  -4.048   5.193  -4.247
  118    H    LEU  11           H        LEU  11  -2.754  -0.662  -1.168
  119    HA   LEU  11           HA       LEU  11  -4.760   0.188  -3.126
  120   1HB   LEU  11          2HB       LEU  11  -2.656  -1.824  -2.805
  121   2HB   LEU  11          1HB       LEU  11  -4.081  -2.456  -3.631
  122    HG   LEU  11           HG       LEU  11  -2.503   0.013  -4.388
  123   1HD1  LEU  11          1HD1      LEU  11  -2.953  -1.999  -6.436
  124   2HD1  LEU  11          2HD1      LEU  11  -2.149  -2.697  -5.031
  125   3HD1  LEU  11          3HD1      LEU  11  -1.429  -1.319  -5.863
  126   1HD2  LEU  11          1HD2      LEU  11  -5.258  -0.583  -4.788
  127   2HD2  LEU  11          2HD2      LEU  11  -4.450  -0.800  -6.341
  128   3HD2  LEU  11          3HD2      LEU  11  -4.329   0.741  -5.491
  129    H    HIS  12           H        HIS  12  -4.893  -1.366  -0.151
  130    HA   HIS  12           HA       HIS  12  -7.410  -2.812  -0.870
  131   1HB   HIS  12          2HB       HIS  12  -5.080  -3.348   0.798
  132   2HB   HIS  12          1HB       HIS  12  -6.589  -3.554   1.690
  133    HD1  HIS  12           HD1      HIS  12  -7.017  -6.029   1.638
  134    HD2  HIS  12           HD2      HIS  12  -5.909  -4.562  -2.103
  135    HE1  HIS  12           HE1      HIS  12  -7.260  -7.956   0.013
  136    H    SER  13           H        SER  13  -5.991  -0.340   1.080
  137    HA   SER  13           HA       SER  13  -8.359   0.012   2.788
  138   1HB   SER  13          2HB       SER  13  -6.863   1.174   4.063
  139   2HB   SER  13          1HB       SER  13  -5.647   0.514   2.975
  140    HG   SER  13           HG       SER  13  -5.611   2.376   1.866
  141    H    ALA  14           H        ALA  14  -7.221   1.081  -0.252
  142    HA   ALA  14           HA       ALA  14  -8.746   3.594  -0.281
  143   1HB   ALA  14          1HB       ALA  14  -7.470   2.216  -2.635
  144   2HB   ALA  14          2HB       ALA  14  -6.476   2.992  -1.402
  145   3HB   ALA  14          3HB       ALA  14  -7.632   3.946  -2.332
  146    H    LYS  15           H        LYS  15  -9.277   0.290  -1.137
  147    HA   LYS  15           HA       LYS  15 -11.361   0.784  -3.117
  148   1HB   LYS  15          2HB       LYS  15 -11.516  -1.583  -3.159
  149   2HB   LYS  15          1HB       LYS  15  -9.825  -1.270  -2.771
  150   1HG   LYS  15          2HG       LYS  15 -10.272  -1.619  -0.395
  151   2HG   LYS  15          1HG       LYS  15 -11.990  -1.835  -0.725
  152   1HD   LYS  15          2HD       LYS  15 -10.700  -3.620  -2.460
  153   2HD   LYS  15          1HD       LYS  15  -9.834  -3.769  -0.930
  154   1HE   LYS  15          2HE       LYS  15 -11.640  -5.320  -0.749
  155   2HE   LYS  15          1HE       LYS  15 -12.195  -3.896   0.156
  156   1HZ   LYS  15          1HZ       LYS  15 -13.443  -3.142  -1.657
  157   2HZ   LYS  15          2HZ       LYS  15 -13.767  -4.809  -1.599
  158   3HZ   LYS  15          3HZ       LYS  15 -12.679  -4.190  -2.749
  159    H    LYS  16           H        LYS  16 -13.654  -0.008  -2.717
  160    HA   LYS  16           HA       LYS  16 -14.943   1.407  -0.664
  161   1HB   LYS  16          2HB       LYS  16 -16.881   0.099  -1.301
  162   2HB   LYS  16          1HB       LYS  16 -15.913   0.370  -2.749
  163   1HG   LYS  16          2HG       LYS  16 -15.146  -1.844  -2.808
  164   2HG   LYS  16          1HG       LYS  16 -15.489  -2.112  -1.098
  165   1HD   LYS  16          2HD       LYS  16 -17.821  -2.268  -1.472
  166   2HD   LYS  16          1HD       LYS  16 -17.700  -1.526  -3.065
  167   1HE   LYS  16          2HE       LYS  16 -17.710  -3.653  -3.879
  168   2HE   LYS  16          1HE       LYS  16 -16.044  -3.758  -3.279
  169   1HZ   LYS  16          1HZ       LYS  16 -18.157  -5.244  -2.384
  170   2HZ   LYS  16          2HZ       LYS  16 -17.983  -4.053  -1.189
  171   3HZ   LYS  16          3HZ       LYS  16 -16.671  -5.054  -1.592
  172    H    PHE  17           H        PHE  17 -15.616   0.880   1.431
  173    HA   PHE  17           HA       PHE  17 -14.385  -1.585   2.603
  174   1HB   PHE  17          2HB       PHE  17 -13.813   0.927   3.204
  175   2HB   PHE  17          1HB       PHE  17 -15.289   0.815   4.162
  176    HD1  PHE  17           HD1      PHE  17 -12.273   1.073   5.071
  177    HD2  PHE  17           HD2      PHE  17 -15.023  -2.207   4.735
  178    HE1  PHE  17           HE1      PHE  17 -11.028  -0.153   6.833
  179    HE2  PHE  17           HE2      PHE  17 -13.782  -3.432   6.494
  180    HZ   PHE  17           HZ       PHE  17 -11.784  -2.406   7.544
  181   1HN   NH2  18          1HN       NH2  18 -17.234   0.592   3.139
  182   2HN   NH2  18          2HN       NH2  18 -18.291  -0.654   3.601
  Start of MODEL   14
    1   1H    LYS   1          1H        LYS   1  16.743   0.788  -3.892
    2   2H    LYS   1          2H        LYS   1  17.080  -0.385  -2.711
    3   3H    LYS   1          3H        LYS   1  17.896   1.105  -2.689
    4    HA   LYS   1           HA       LYS   1  15.831   0.629  -1.115
    5   1HB   LYS   1          2HB       LYS   1  15.564   3.196  -1.302
    6   2HB   LYS   1          1HB       LYS   1  17.180   2.582  -0.954
    7   1HG   LYS   1          2HG       LYS   1  17.976   3.070  -3.073
    8   2HG   LYS   1          1HG       LYS   1  16.383   2.930  -3.817
    9   1HD   LYS   1          2HD       LYS   1  16.709   5.099  -1.810
   10   2HD   LYS   1          1HD       LYS   1  17.565   5.314  -3.338
   11   1HE   LYS   1          2HE       LYS   1  15.595   6.062  -4.191
   12   2HE   LYS   1          1HE       LYS   1  15.015   4.387  -4.079
   13   1HZ   LYS   1          1HZ       LYS   1  14.684   4.977  -1.603
   14   2HZ   LYS   1          2HZ       LYS   1  13.531   5.510  -2.731
   15   3HZ   LYS   1          3HZ       LYS   1  14.704   6.586  -2.137
   16    H    TRP   2           H        TRP   2  14.444  -0.741  -2.767
   17    HA   TRP   2           HA       TRP   2  12.239   1.033  -3.744
   18   1HB   TRP   2          2HB       TRP   2  14.094  -0.027  -5.410
   19   2HB   TRP   2          1HB       TRP   2  12.951  -1.369  -5.353
   20    HD1  TRP   2           HD1      TRP   2  10.491   0.883  -4.858
   21    HE1  TRP   2           HE1      TRP   2   9.540   1.987  -6.985
   22    HE3  TRP   2           HE3      TRP   2  14.297  -0.070  -8.127
   23    HZ2  TRP   2           HZ2      TRP   2  10.292   2.409  -9.712
   24    HZ3  TRP   2           HZ3      TRP   2  14.152   0.691 -10.481
   25    HH2  TRP   2           HH2      TRP   2  12.158   1.929 -11.278
   26    H    LYS   3           H        LYS   3  10.381   0.340  -2.753
   27    HA   LYS   3           HA       LYS   3   9.764  -2.539  -2.620
   28   1HB   LYS   3          2HB       LYS   3  11.244  -1.603  -0.609
   29   2HB   LYS   3          1HB       LYS   3   9.673  -1.057  -0.021
   30   1HG   LYS   3          2HG       LYS   3   9.473  -3.151   0.828
   31   2HG   LYS   3          1HG       LYS   3   9.122  -3.630  -0.833
   32   1HD   LYS   3          2HD       LYS   3  11.897  -3.515  -0.769
   33   2HD   LYS   3          1HD       LYS   3  11.477  -4.201   0.802
   34   1HE   LYS   3          2HE       LYS   3  10.056  -5.901  -0.335
   35   2HE   LYS   3          1HE       LYS   3  10.561  -5.241  -1.904
   36   1HZ   LYS   3          1HZ       LYS   3  12.916  -5.472  -0.771
   37   2HZ   LYS   3          2HZ       LYS   3  12.206  -6.767  -1.611
   38   3HZ   LYS   3          3HZ       LYS   3  12.128  -6.708   0.084
   39    H    LEU   4           H        LEU   4   7.631  -2.640  -3.164
   40    HA   LEU   4           HA       LEU   4   5.893  -0.275  -2.936
   41   1HB   LEU   4          2HB       LEU   4   5.281  -3.117  -3.813
   42   2HB   LEU   4          1HB       LEU   4   4.370  -1.663  -4.222
   43    HG   LEU   4           HG       LEU   4   7.281  -1.764  -4.923
   44   1HD1  LEU   4          1HD1      LEU   4   5.193  -3.554  -5.977
   45   2HD1  LEU   4          2HD1      LEU   4   6.948  -3.672  -6.108
   46   3HD1  LEU   4          3HD1      LEU   4   6.049  -2.640  -7.220
   47   1HD2  LEU   4          1HD2      LEU   4   5.183   0.025  -5.300
   48   2HD2  LEU   4          2HD2      LEU   4   5.323  -0.781  -6.863
   49   3HD2  LEU   4          3HD2      LEU   4   6.719   0.042  -6.168
   50    H    PHE   5           H        PHE   5   6.920  -2.273  -0.643
   51    HA   PHE   5           HA       PHE   5   4.825  -3.601   0.601
   52   1HB   PHE   5          2HB       PHE   5   7.392  -2.956   1.169
   53   2HB   PHE   5          1HB       PHE   5   6.552  -1.919   2.322
   54    HD1  PHE   5           HD1      PHE   5   4.098  -3.710   2.692
   55    HD2  PHE   5           HD2      PHE   5   8.311  -4.548   2.722
   56    HE1  PHE   5           HE1      PHE   5   3.699  -5.666   4.163
   57    HE2  PHE   5           HE2      PHE   5   7.912  -6.504   4.194
   58    HZ   PHE   5           HZ       PHE   5   5.606  -7.063   4.914
   59    H    LYS   6           H        LYS   6   5.699  -0.230   1.235
   60    HA   LYS   6           HA       LYS   6   3.389   0.345   2.846
   61   1HB   LYS   6          2HB       LYS   6   4.247   2.576   2.797
   62   2HB   LYS   6          1HB       LYS   6   5.664   1.534   2.678
   63   1HG   LYS   6          2HG       LYS   6   4.725   1.942   0.029
   64   2HG   LYS   6          1HG       LYS   6   4.740   3.521   0.813
   65   1HD   LYS   6          2HD       LYS   6   7.060   1.569   0.742
   66   2HD   LYS   6          1HD       LYS   6   6.920   3.029  -0.239
   67   1HE   LYS   6          2HE       LYS   6   7.044   4.450   1.697
   68   2HE   LYS   6          1HE       LYS   6   6.866   3.068   2.796
   69   1HZ   LYS   6          1HZ       LYS   6   9.188   3.577   2.602
   70   2HZ   LYS   6          2HZ       LYS   6   9.105   3.565   0.905
   71   3HZ   LYS   6          3HZ       LYS   6   8.897   2.123   1.778
   72    H    LYS   7           H        LYS   7   3.674  -0.122  -0.492
   73    HA   LYS   7           HA       LYS   7   1.424   1.698  -1.153
   74   1HB   LYS   7          2HB       LYS   7   3.458   0.072  -2.662
   75   2HB   LYS   7          1HB       LYS   7   2.026   0.680  -3.493
   76   1HG   LYS   7          2HG       LYS   7   4.115   2.319  -2.030
   77   2HG   LYS   7          1HG       LYS   7   3.792   2.315  -3.763
   78   1HD   LYS   7          2HD       LYS   7   1.393   3.034  -3.127
   79   2HD   LYS   7          1HD       LYS   7   2.069   3.410  -1.542
   80   1HE   LYS   7          2HE       LYS   7   3.536   5.063  -2.438
   81   2HE   LYS   7          1HE       LYS   7   3.284   4.493  -4.099
   82   1HZ   LYS   7          1HZ       LYS   7   1.486   5.764  -4.263
   83   2HZ   LYS   7          2HZ       LYS   7   1.780   6.389  -2.712
   84   3HZ   LYS   7          3HZ       LYS   7   0.786   5.025  -2.906
   85    H    ILE   8           H        ILE   8   2.024  -1.562  -0.353
   86    HA   ILE   8           HA       ILE   8  -0.185  -2.777  -1.791
   87    HB   ILE   8           HB       ILE   8   1.552  -3.550   0.557
   88   1HG1  ILE   8          2HG1      ILE   8   1.379  -4.656  -2.263
   89   2HG1  ILE   8          1HG1      ILE   8   2.546  -3.434  -1.754
   90   1HG2  ILE   8          1HG2      ILE   8   0.589  -5.866   0.175
   91   2HG2  ILE   8          2HG2      ILE   8  -0.658  -5.104  -0.813
   92   3HG2  ILE   8          3HG2      ILE   8  -0.529  -4.710   0.901
   93   1HD1  ILE   8          1HD1      ILE   8   2.848  -5.352   0.193
   94   2HD1  ILE   8          2HD1      ILE   8   3.873  -5.199  -1.234
   95   3HD1  ILE   8          3HD1      ILE   8   2.521  -6.332  -1.236
   96    H    LYS   9           H        LYS   9   0.301  -2.278   1.664
   97    HA   LYS   9           HA       LYS   9  -2.280  -2.710   2.598
   98   1HB   LYS   9          2HB       LYS   9  -1.590  -1.069   4.411
   99   2HB   LYS   9          1HB       LYS   9  -0.415  -2.341   4.081
  100   1HG   LYS   9          2HG       LYS   9   0.878  -0.364   4.154
  101   2HG   LYS   9          1HG       LYS   9   0.656  -0.663   2.432
  102   1HD   LYS   9          2HD       LYS   9  -0.329   1.339   2.203
  103   2HD   LYS   9          1HD       LYS   9  -1.576   0.865   3.357
  104   1HE   LYS   9          2HE       LYS   9  -0.357   1.738   5.204
  105   2HE   LYS   9          1HE       LYS   9   1.142   1.849   4.261
  106   1HZ   LYS   9          1HZ       LYS   9  -0.078   3.383   2.743
  107   2HZ   LYS   9          2HZ       LYS   9   0.173   4.009   4.302
  108   3HZ   LYS   9          3HZ       LYS   9  -1.354   3.408   3.862
  109    H    PHE  10           H        PHE  10  -1.070   0.047   0.854
  110    HA   PHE  10           HA       PHE  10  -3.400   1.740   1.407
  111   1HB   PHE  10          2HB       PHE  10  -1.028   2.516   0.965
  112   2HB   PHE  10          1HB       PHE  10  -1.252   2.018  -0.712
  113    HD1  PHE  10           HD1      PHE  10  -2.088   4.490   1.845
  114    HD2  PHE  10           HD2      PHE  10  -2.952   3.142  -2.143
  115    HE1  PHE  10           HE1      PHE  10  -3.233   6.636   1.367
  116    HE2  PHE  10           HE2      PHE  10  -4.096   5.289  -2.620
  117    HZ   PHE  10           HZ       PHE  10  -4.236   7.037  -0.865
  118    H    LEU  11           H        LEU  11  -2.547  -0.702  -0.830
  119    HA   LEU  11           HA       LEU  11  -4.456   0.132  -2.915
  120   1HB   LEU  11          2HB       LEU  11  -2.304  -1.832  -2.479
  121   2HB   LEU  11          1HB       LEU  11  -3.643  -2.446  -3.451
  122    HG   LEU  11           HG       LEU  11  -2.099   0.109  -3.961
  123   1HD1  LEU  11          1HD1      LEU  11  -0.814  -1.879  -4.558
  124   2HD1  LEU  11          2HD1      LEU  11  -1.399  -1.110  -6.033
  125   3HD1  LEU  11          3HD1      LEU  11  -2.201  -2.554  -5.414
  126   1HD2  LEU  11          1HD2      LEU  11  -3.755  -0.791  -6.139
  127   2HD2  LEU  11          2HD2      LEU  11  -3.814   0.745  -5.276
  128   3HD2  LEU  11          3HD2      LEU  11  -4.742  -0.634  -4.685
  129    H    HIS  12           H        HIS  12  -4.789  -1.235   0.078
  130    HA   HIS  12           HA       HIS  12  -7.000  -3.066  -0.725
  131   1HB   HIS  12          2HB       HIS  12  -4.967  -2.878   1.414
  132   2HB   HIS  12          1HB       HIS  12  -6.552  -3.427   1.943
  133    HD1  HIS  12           HD1      HIS  12  -6.883  -5.883   1.738
  134    HD2  HIS  12           HD2      HIS  12  -4.130  -4.476  -1.058
  135    HE1  HIS  12           HE1      HIS  12  -6.049  -7.911   0.471
  136    H    SER  13           H        SER  13  -6.181  -0.250   1.156
  137    HA   SER  13           HA       SER  13  -8.839  -0.010   2.371
  138   1HB   SER  13          2HB       SER  13  -7.144   0.721   3.780
  139   2HB   SER  13          1HB       SER  13  -6.203   1.397   2.453
  140    HG   SER  13           HG       SER  13  -7.272   2.970   3.815
  141    H    ALA  14           H        ALA  14  -6.948   1.711  -0.057
  142    HA   ALA  14           HA       ALA  14  -8.776   3.810  -0.601
  143   1HB   ALA  14          1HB       ALA  14  -6.309   3.058  -1.447
  144   2HB   ALA  14          2HB       ALA  14  -7.272   4.284  -2.271
  145   3HB   ALA  14          3HB       ALA  14  -7.264   2.622  -2.864
  146    H    LYS  15           H        LYS  15  -8.965   0.462  -1.295
  147    HA   LYS  15           HA       LYS  15 -10.888   0.731  -3.502
  148   1HB   LYS  15          2HB       LYS  15  -9.615  -1.507  -1.937
  149   2HB   LYS  15          1HB       LYS  15 -10.917  -1.831  -3.083
  150   1HG   LYS  15          2HG       LYS  15  -8.367  -0.344  -3.771
  151   2HG   LYS  15          1HG       LYS  15  -8.642  -2.055  -4.102
  152   1HD   LYS  15          2HD       LYS  15 -10.876  -0.453  -5.035
  153   2HD   LYS  15          1HD       LYS  15  -9.361   0.103  -5.749
  154   1HE   LYS  15          2HE       LYS  15  -9.659  -2.840  -5.662
  155   2HE   LYS  15          1HE       LYS  15 -10.797  -2.001  -6.736
  156   1HZ   LYS  15          1HZ       LYS  15  -7.894  -1.401  -6.657
  157   2HZ   LYS  15          2HZ       LYS  15  -9.031  -0.869  -7.800
  158   3HZ   LYS  15          3HZ       LYS  15  -8.576  -2.505  -7.751
  159    H    LYS  16           H        LYS  16 -10.926   0.368  -0.067
  160    HA   LYS  16           HA       LYS  16 -13.722  -0.536   0.054
  161   1HB   LYS  16          2HB       LYS  16 -11.812   0.408   2.208
  162   2HB   LYS  16          1HB       LYS  16 -13.287  -0.527   2.458
  163   1HG   LYS  16          2HG       LYS  16 -12.351  -2.390   1.164
  164   2HG   LYS  16          1HG       LYS  16 -10.887  -1.455   0.856
  165   1HD   LYS  16          2HD       LYS  16 -10.355  -1.402   3.225
  166   2HD   LYS  16          1HD       LYS  16 -11.884  -2.188   3.621
  167   1HE   LYS  16          2HE       LYS  16 -10.187  -3.632   1.656
  168   2HE   LYS  16          1HE       LYS  16  -9.572  -3.572   3.319
  169   1HZ   LYS  16          1HZ       LYS  16 -11.315  -5.372   2.653
  170   2HZ   LYS  16          2HZ       LYS  16 -12.425  -4.102   2.860
  171   3HZ   LYS  16          3HZ       LYS  16 -11.436  -4.588   4.152
  172    H    PHE  17           H        PHE  17 -12.005   2.436  -0.002
  173    HA   PHE  17           HA       PHE  17 -14.549   3.917   0.411
  174   1HB   PHE  17          2HB       PHE  17 -13.250   3.632   2.560
  175   2HB   PHE  17          1HB       PHE  17 -11.938   4.541   1.814
  176    HD1  PHE  17           HD1      PHE  17 -15.583   5.122   1.336
  177    HD2  PHE  17           HD2      PHE  17 -11.953   6.527   3.157
  178    HE1  PHE  17           HE1      PHE  17 -16.710   7.241   1.947
  179    HE2  PHE  17           HE2      PHE  17 -13.084   8.647   3.766
  180    HZ   PHE  17           HZ       PHE  17 -15.462   9.005   3.160
  181   1HN   NH2  18          1HN       NH2  18 -11.860   5.979   0.607
  182   2HN   NH2  18          2HN       NH2  18 -11.732   6.400  -1.031
  Start of MODEL   15
    1   1H    LYS   1          1H        LYS   1  12.725   3.491  -6.342
    2   2H    LYS   1          2H        LYS   1  12.384   4.601  -5.103
    3   3H    LYS   1          3H        LYS   1  11.643   4.766  -6.622
    4    HA   LYS   1           HA       LYS   1  10.264   3.747  -4.722
    5   1HB   LYS   1          2HB       LYS   1  10.557   3.333  -7.580
    6   2HB   LYS   1          1HB       LYS   1   9.851   1.907  -6.816
    7   1HG   LYS   1          2HG       LYS   1   8.835   4.666  -6.155
    8   2HG   LYS   1          1HG       LYS   1   8.246   3.803  -7.576
    9   1HD   LYS   1          2HD       LYS   1   6.911   2.512  -6.307
   10   2HD   LYS   1          1HD       LYS   1   8.273   2.036  -5.291
   11   1HE   LYS   1          2HE       LYS   1   7.480   3.342  -3.620
   12   2HE   LYS   1          1HE       LYS   1   7.579   4.763  -4.679
   13   1HZ   LYS   1          1HZ       LYS   1   5.388   2.761  -4.780
   14   2HZ   LYS   1          2HZ       LYS   1   5.474   4.225  -5.637
   15   3HZ   LYS   1          3HZ       LYS   1   5.280   4.235  -3.949
   16    H    TRP   2           H        TRP   2  11.396   2.623  -3.031
   17    HA   TRP   2           HA       TRP   2  12.857   0.148  -3.619
   18   1HB   TRP   2          2HB       TRP   2  13.136   2.000  -1.747
   19   2HB   TRP   2          1HB       TRP   2  11.950   1.017  -0.890
   20    HD1  TRP   2           HD1      TRP   2  14.396  -0.739  -3.191
   21    HE1  TRP   2           HE1      TRP   2  16.051  -2.118  -1.782
   22    HE3  TRP   2           HE3      TRP   2  13.194   0.941   1.483
   23    HZ2  TRP   2           HZ2      TRP   2  16.775  -2.465   0.963
   24    HZ3  TRP   2           HZ3      TRP   2  14.384   0.070   3.474
   25    HH2  TRP   2           HH2      TRP   2  16.172  -1.630   3.221
   26    H    LYS   3           H        LYS   3  11.693  -1.010  -1.033
   27    HA   LYS   3           HA       LYS   3   9.945  -2.934  -2.076
   28   1HB   LYS   3          2HB       LYS   3  11.001  -2.127   0.406
   29   2HB   LYS   3          1HB       LYS   3   9.253  -2.177   0.641
   30   1HG   LYS   3          2HG       LYS   3   9.267  -4.469  -0.424
   31   2HG   LYS   3          1HG       LYS   3  11.028  -4.412  -0.371
   32   1HD   LYS   3          2HD       LYS   3   9.613  -3.757   2.159
   33   2HD   LYS   3          1HD       LYS   3   9.545  -5.440   1.638
   34   1HE   LYS   3          2HE       LYS   3  11.895  -5.690   1.727
   35   2HE   LYS   3          1HE       LYS   3  12.168  -3.936   1.702
   36   1HZ   LYS   3          1HZ       LYS   3  10.819  -3.889   3.824
   37   2HZ   LYS   3          2HZ       LYS   3  12.377  -4.557   3.945
   38   3HZ   LYS   3          3HZ       LYS   3  11.016  -5.573   3.887
   39    H    LEU   4           H        LEU   4   7.888  -2.768  -2.884
   40    HA   LEU   4           HA       LEU   4   6.378  -0.258  -2.590
   41   1HB   LEU   4          2HB       LEU   4   5.666  -2.891  -3.924
   42   2HB   LEU   4          1HB       LEU   4   4.916  -1.324  -4.228
   43    HG   LEU   4           HG       LEU   4   7.822  -1.239  -4.523
   44   1HD1  LEU   4          1HD1      LEU   4   8.017  -3.270  -5.542
   45   2HD1  LEU   4          2HD1      LEU   4   7.270  -2.447  -6.912
   46   3HD1  LEU   4          3HD1      LEU   4   6.280  -3.407  -5.813
   47   1HD2  LEU   4          1HD2      LEU   4   5.408  -0.096  -5.629
   48   2HD2  LEU   4          2HD2      LEU   4   6.457  -0.656  -6.933
   49   3HD2  LEU   4          3HD2      LEU   4   7.064   0.499  -5.745
   50    H    PHE   5           H        PHE   5   6.824  -2.561  -0.411
   51    HA   PHE   5           HA       PHE   5   4.263  -3.625   0.237
   52   1HB   PHE   5          2HB       PHE   5   6.924  -3.365   1.371
   53   2HB   PHE   5          1HB       PHE   5   5.688  -3.217   2.621
   54    HD1  PHE   5           HD1      PHE   5   6.798  -5.357  -0.229
   55    HD2  PHE   5           HD2      PHE   5   4.518  -5.118   3.404
   56    HE1  PHE   5           HE1      PHE   5   6.439  -7.810  -0.293
   57    HE2  PHE   5           HE2      PHE   5   4.159  -7.572   3.339
   58    HZ   PHE   5           HZ       PHE   5   5.119  -8.918   1.490
   59    H    LYS   6           H        LYS   6   5.514  -0.441   0.531
   60    HA   LYS   6           HA       LYS   6   3.633   0.386   2.641
   61   1HB   LYS   6          2HB       LYS   6   4.733   2.540   2.360
   62   2HB   LYS   6          1HB       LYS   6   5.966   1.280   2.336
   63   1HG   LYS   6          2HG       LYS   6   6.280   1.452   0.016
   64   2HG   LYS   6          1HG       LYS   6   4.714   2.224  -0.234
   65   1HD   LYS   6          2HD       LYS   6   5.494   4.302   0.326
   66   2HD   LYS   6          1HD       LYS   6   6.619   3.669   1.529
   67   1HE   LYS   6          2HE       LYS   6   8.117   2.882  -0.278
   68   2HE   LYS   6          1HE       LYS   6   6.995   3.538  -1.485
   69   1HZ   LYS   6          1HZ       LYS   6   8.965   4.975  -0.439
   70   2HZ   LYS   6          2HZ       LYS   6   7.745   5.317   0.692
   71   3HZ   LYS   6          3HZ       LYS   6   7.502   5.660  -0.954
   72    H    LYS   7           H        LYS   7   3.375  -0.249  -0.625
   73    HA   LYS   7           HA       LYS   7   1.257   1.824  -1.029
   74   1HB   LYS   7          2HB       LYS   7   3.150   1.886  -2.593
   75   2HB   LYS   7          1HB       LYS   7   2.911   0.180  -2.970
   76   1HG   LYS   7          2HG       LYS   7   1.191   0.614  -4.381
   77   2HG   LYS   7          1HG       LYS   7   0.484   1.806  -3.291
   78   1HD   LYS   7          2HD       LYS   7   1.881   3.540  -4.091
   79   2HD   LYS   7          1HD       LYS   7   2.998   2.405  -4.848
   80   1HE   LYS   7          2HE       LYS   7   1.778   3.140  -6.709
   81   2HE   LYS   7          1HE       LYS   7   0.833   1.715  -6.237
   82   1HZ   LYS   7          1HZ       LYS   7  -0.081   3.695  -4.598
   83   2HZ   LYS   7          2HZ       LYS   7  -0.870   3.115  -5.985
   84   3HZ   LYS   7          3HZ       LYS   7   0.124   4.489  -6.082
   85    H    ILE   8           H        ILE   8   1.854  -1.506  -0.589
   86    HA   ILE   8           HA       ILE   8  -0.523  -2.490  -1.977
   87    HB   ILE   8           HB       ILE   8   1.396  -3.696   0.034
   88   1HG1  ILE   8          2HG1      ILE   8   2.263  -2.987  -2.255
   89   2HG1  ILE   8          1HG1      ILE   8   2.470  -4.696  -1.868
   90   1HG2  ILE   8          1HG2      ILE   8   0.390  -5.845  -1.155
   91   2HG2  ILE   8          2HG2      ILE   8  -0.998  -4.786  -1.397
   92   3HG2  ILE   8          3HG2      ILE   8  -0.421  -5.124   0.234
   93   1HD1  ILE   8          1HD1      ILE   8   0.109  -3.612  -3.426
   94   2HD1  ILE   8          2HD1      ILE   8   0.547  -5.304  -3.191
   95   3HD1  ILE   8          3HD1      ILE   8   1.563  -4.261  -4.184
   96    H    LYS   9           H        LYS   9   0.439  -1.843   1.337
   97    HA   LYS   9           HA       LYS   9  -1.928  -2.728   2.647
   98   1HB   LYS   9          2HB       LYS   9  -1.097  -1.210   4.462
   99   2HB   LYS   9          1HB       LYS   9   0.169  -2.246   3.804
  100   1HG   LYS   9          2HG       LYS   9   1.236  -0.180   3.776
  101   2HG   LYS   9          1HG       LYS   9   0.544  -0.213   2.156
  102   1HD   LYS   9          2HD       LYS   9  -0.410   1.757   2.698
  103   2HD   LYS   9          1HD       LYS   9  -1.526   0.805   3.674
  104   1HE   LYS   9          2HE       LYS   9   1.125   1.553   4.872
  105   2HE   LYS   9          1HE       LYS   9  -0.154   2.782   4.792
  106   1HZ   LYS   9          1HZ       LYS   9  -0.278   1.396   6.820
  107   2HZ   LYS   9          2HZ       LYS   9  -0.534   0.029   5.842
  108   3HZ   LYS   9          3HZ       LYS   9  -1.673   1.289   5.860
  109    H    PHE  10           H        PHE  10  -1.096   0.299   1.096
  110    HA   PHE  10           HA       PHE  10  -3.594   1.625   1.902
  111   1HB   PHE  10          2HB       PHE  10  -1.098   2.481   1.202
  112   2HB   PHE  10          1HB       PHE  10  -1.948   2.682  -0.326
  113    HD1  PHE  10           HD1      PHE  10  -1.333   4.094   2.904
  114    HD2  PHE  10           HD2      PHE  10  -4.234   3.901  -0.259
  115    HE1  PHE  10           HE1      PHE  10  -2.404   6.161   3.760
  116    HE2  PHE  10           HE2      PHE  10  -5.305   5.967   0.598
  117    HZ   PHE  10           HZ       PHE  10  -4.390   7.097   2.606
  118    H    LEU  11           H        LEU  11  -2.408  -0.335  -0.645
  119    HA   LEU  11           HA       LEU  11  -4.298   0.437  -2.706
  120   1HB   LEU  11          2HB       LEU  11  -2.202  -1.576  -2.202
  121   2HB   LEU  11          1HB       LEU  11  -3.495  -2.137  -3.263
  122    HG   LEU  11           HG       LEU  11  -1.907   0.420  -3.637
  123   1HD1  LEU  11          1HD1      LEU  11  -1.806  -2.297  -4.964
  124   2HD1  LEU  11          2HD1      LEU  11  -0.487  -1.422  -4.186
  125   3HD1  LEU  11          3HD1      LEU  11  -1.142  -0.850  -5.721
  126   1HD2  LEU  11          1HD2      LEU  11  -4.248  -0.836  -5.052
  127   2HD2  LEU  11          2HD2      LEU  11  -3.103   0.152  -5.960
  128   3HD2  LEU  11          3HD2      LEU  11  -3.995   0.854  -4.610
  129    H    HIS  12           H        HIS  12  -4.510  -1.426   0.142
  130    HA   HIS  12           HA       HIS  12  -6.832  -3.001  -0.779
  131   1HB   HIS  12          2HB       HIS  12  -4.897  -2.951   1.460
  132   2HB   HIS  12          1HB       HIS  12  -6.520  -3.485   1.885
  133    HD1  HIS  12           HD1      HIS  12  -6.194  -5.992   2.018
  134    HD2  HIS  12           HD2      HIS  12  -4.685  -4.381  -1.518
  135    HE1  HIS  12           HE1      HIS  12  -5.541  -7.956   0.557
  136    H    SER  13           H        SER  13  -6.012  -0.289   1.249
  137    HA   SER  13           HA       SER  13  -8.749   0.036   2.283
  138   1HB   SER  13          2HB       SER  13  -6.082   0.836   2.936
  139   2HB   SER  13          1HB       SER  13  -7.048   2.295   2.736
  140    HG   SER  13           HG       SER  13  -7.181   1.469   4.862
  141    H    ALA  14           H        ALA  14  -7.213   0.765  -0.597
  142    HA   ALA  14           HA       ALA  14  -8.329   3.417  -1.066
  143   1HB   ALA  14          1HB       ALA  14  -7.643   2.346  -3.509
  144   2HB   ALA  14          2HB       ALA  14  -6.635   1.418  -2.397
  145   3HB   ALA  14          3HB       ALA  14  -6.522   3.177  -2.430
  146    H    LYS  15           H        LYS  15  -9.225   0.116  -1.784
  147    HA   LYS  15           HA       LYS  15 -11.496   0.888  -3.484
  148   1HB   LYS  15          2HB       LYS  15 -10.046  -1.528  -2.629
  149   2HB   LYS  15          1HB       LYS  15 -11.784  -1.774  -2.797
  150   1HG   LYS  15          2HG       LYS  15 -10.864  -2.225  -4.953
  151   2HG   LYS  15          1HG       LYS  15 -11.587  -0.621  -5.071
  152   1HD   LYS  15          2HD       LYS  15  -9.522   0.461  -5.079
  153   2HD   LYS  15          1HD       LYS  15  -8.704  -0.879  -4.274
  154   1HE   LYS  15          2HE       LYS  15  -8.068  -1.682  -6.293
  155   2HE   LYS  15          1HE       LYS  15  -9.775  -1.856  -6.750
  156   1HZ   LYS  15          1HZ       LYS  15  -8.444   0.782  -6.758
  157   2HZ   LYS  15          2HZ       LYS  15  -9.866   0.309  -7.559
  158   3HZ   LYS  15          3HZ       LYS  15  -8.355  -0.241  -8.107
  159    H    LYS  16           H        LYS  16 -13.670  -0.352  -2.756
  160    HA   LYS  16           HA       LYS  16 -14.781   0.996  -0.548
  161   1HB   LYS  16          2HB       LYS  16 -15.420  -1.241  -2.339
  162   2HB   LYS  16          1HB       LYS  16 -16.200  -1.375  -0.763
  163   1HG   LYS  16          2HG       LYS  16 -16.921   1.048  -1.048
  164   2HG   LYS  16          1HG       LYS  16 -16.380   0.921  -2.722
  165   1HD   LYS  16          2HD       LYS  16 -17.880  -1.197  -2.821
  166   2HD   LYS  16          1HD       LYS  16 -18.625  -0.554  -1.357
  167   1HE   LYS  16          2HE       LYS  16 -19.812   0.950  -2.564
  168   2HE   LYS  16          1HE       LYS  16 -18.336   1.538  -3.357
  169   1HZ   LYS  16          1HZ       LYS  16 -18.413  -0.593  -4.679
  170   2HZ   LYS  16          2HZ       LYS  16 -19.611   0.551  -5.058
  171   3HZ   LYS  16          3HZ       LYS  16 -19.995  -0.803  -4.106
  172    H    PHE  17           H        PHE  17 -13.558   0.862   1.373
  173    HA   PHE  17           HA       PHE  17 -13.157  -1.880   2.521
  174   1HB   PHE  17          2HB       PHE  17 -11.081  -0.730   2.183
  175   2HB   PHE  17          1HB       PHE  17 -11.731   0.772   2.842
  176    HD1  PHE  17           HD1      PHE  17 -11.820   1.165   5.213
  177    HD2  PHE  17           HD2      PHE  17 -10.689  -2.688   3.686
  178    HE1  PHE  17           HE1      PHE  17 -11.086   0.482   7.482
  179    HE2  PHE  17           HE2      PHE  17  -9.955  -3.371   5.954
  180    HZ   PHE  17           HZ       PHE  17 -10.154  -1.787   7.852
  181   1HN   NH2  18          1HN       NH2  18 -13.814   1.507   3.620
  182   2HN   NH2  18          2HN       NH2  18 -14.837   1.059   4.897
  Start of MODEL   16
    1   1H    LYS   1          1H        LYS   1  10.307  -9.151   0.444
    2   2H    LYS   1          2H        LYS   1   8.787  -8.823   1.128
    3   3H    LYS   1          3H        LYS   1  10.204  -8.483   2.001
    4    HA   LYS   1           HA       LYS   1  10.796  -6.888   0.122
    5   1HB   LYS   1          2HB       LYS   1   7.838  -7.390  -0.347
    6   2HB   LYS   1          1HB       LYS   1   8.834  -6.220  -1.215
    7   1HG   LYS   1          2HG       LYS   1   9.332  -9.210  -1.168
    8   2HG   LYS   1          1HG       LYS   1   8.534  -8.347  -2.482
    9   1HD   LYS   1          2HD       LYS   1  10.531  -7.811  -3.362
   10   2HD   LYS   1          1HD       LYS   1  10.983  -6.992  -1.866
   11   1HE   LYS   1          2HE       LYS   1  12.529  -8.627  -1.561
   12   2HE   LYS   1          1HE       LYS   1  11.179  -9.746  -1.289
   13   1HZ   LYS   1          1HZ       LYS   1  12.840 -10.119  -3.268
   14   2HZ   LYS   1          2HZ       LYS   1  11.837  -8.989  -4.044
   15   3HZ   LYS   1          3HZ       LYS   1  11.185 -10.441  -3.449
   16    H    TRP   2           H        TRP   2  10.970  -5.011   1.270
   17    HA   TRP   2           HA       TRP   2   8.775  -4.340   3.200
   18   1HB   TRP   2          2HB       TRP   2  10.686  -3.197   4.454
   19   2HB   TRP   2          1HB       TRP   2  10.741  -4.955   4.405
   20    HD1  TRP   2           HD1      TRP   2  11.753  -2.959   1.317
   21    HE1  TRP   2           HE1      TRP   2  14.283  -3.245   0.935
   22    HE3  TRP   2           HE3      TRP   2  13.033  -5.393   5.625
   23    HZ2  TRP   2           HZ2      TRP   2  16.553  -4.351   2.273
   24    HZ3  TRP   2           HZ3      TRP   2  15.386  -6.045   6.045
   25    HH2  TRP   2           HH2      TRP   2  17.147  -5.527   4.378
   26    H    LYS   3           H        LYS   3   9.731  -3.459   0.258
   27    HA   LYS   3           HA       LYS   3   9.709  -0.521   0.759
   28   1HB   LYS   3          2HB       LYS   3  11.512  -1.592  -0.603
   29   2HB   LYS   3          1HB       LYS   3  10.279  -2.098  -1.759
   30   1HG   LYS   3          2HG       LYS   3  11.334  -0.001  -2.495
   31   2HG   LYS   3          1HG       LYS   3   9.637   0.267  -2.098
   32   1HD   LYS   3          2HD       LYS   3  10.123   1.493  -0.213
   33   2HD   LYS   3          1HD       LYS   3  11.614   0.606   0.105
   34   1HE   LYS   3          2HE       LYS   3  12.763   1.787  -1.697
   35   2HE   LYS   3          1HE       LYS   3  11.256   2.610  -2.151
   36   1HZ   LYS   3          1HZ       LYS   3  12.106   4.138  -0.702
   37   2HZ   LYS   3          2HZ       LYS   3  12.926   2.978   0.231
   38   3HZ   LYS   3          3HZ       LYS   3  11.245   3.173   0.395
   39    H    LEU   4           H        LEU   4   8.471  -2.510  -1.877
   40    HA   LEU   4           HA       LEU   4   6.300  -0.829  -2.572
   41   1HB   LEU   4          2HB       LEU   4   6.857  -3.789  -2.864
   42   2HB   LEU   4          1HB       LEU   4   5.447  -3.027  -3.602
   43    HG   LEU   4           HG       LEU   4   7.893  -1.519  -4.113
   44   1HD1  LEU   4          1HD1      LEU   4   9.247  -3.336  -4.386
   45   2HD1  LEU   4          2HD1      LEU   4   8.385  -3.504  -5.916
   46   3HD1  LEU   4          3HD1      LEU   4   7.889  -4.454  -4.514
   47   1HD2  LEU   4          1HD2      LEU   4   7.038  -1.848  -6.478
   48   2HD2  LEU   4          2HD2      LEU   4   5.879  -1.112  -5.372
   49   3HD2  LEU   4          3HD2      LEU   4   5.734  -2.819  -5.797
   50    H    PHE   5           H        PHE   5   6.710  -2.861   0.134
   51    HA   PHE   5           HA       PHE   5   4.145  -3.793   0.766
   52   1HB   PHE   5          2HB       PHE   5   6.636  -3.705   1.896
   53   2HB   PHE   5          1HB       PHE   5   5.734  -2.634   2.968
   54    HD1  PHE   5           HD1      PHE   5   6.161  -6.075   1.792
   55    HD2  PHE   5           HD2      PHE   5   3.762  -3.459   4.210
   56    HE1  PHE   5           HE1      PHE   5   5.137  -8.040   2.903
   57    HE2  PHE   5           HE2      PHE   5   2.739  -5.423   5.321
   58    HZ   PHE   5           HZ       PHE   5   3.425  -7.715   4.669
   59    H    LYS   6           H        LYS   6   5.417  -0.556   0.936
   60    HA   LYS   6           HA       LYS   6   3.233   0.496   2.575
   61   1HB   LYS   6          2HB       LYS   6   4.413   2.590   2.273
   62   2HB   LYS   6          1HB       LYS   6   5.621   1.325   2.500
   63   1HG   LYS   6          2HG       LYS   6   6.517   2.280   0.616
   64   2HG   LYS   6          1HG       LYS   6   5.371   1.198  -0.178
   65   1HD   LYS   6          2HD       LYS   6   4.263   2.954  -1.036
   66   2HD   LYS   6          1HD       LYS   6   4.003   3.607   0.582
   67   1HE   LYS   6          2HE       LYS   6   6.753   3.949  -0.479
   68   2HE   LYS   6          1HE       LYS   6   5.493   4.891  -1.299
   69   1HZ   LYS   6          1HZ       LYS   6   5.979   4.773   1.632
   70   2HZ   LYS   6          2HZ       LYS   6   4.677   5.579   0.898
   71   3HZ   LYS   6          3HZ       LYS   6   6.270   6.104   0.620
   72    H    LYS   7           H        LYS   7   3.645  -0.232  -0.729
   73    HA   LYS   7           HA       LYS   7   1.608   1.767  -1.580
   74   1HB   LYS   7          2HB       LYS   7   3.929   1.109  -2.713
   75   2HB   LYS   7          1HB       LYS   7   2.950  -0.172  -3.429
   76   1HG   LYS   7          2HG       LYS   7   1.473   1.389  -4.459
   77   2HG   LYS   7          1HG       LYS   7   2.097   2.728  -3.494
   78   1HD   LYS   7          2HD       LYS   7   3.661   3.154  -5.053
   79   2HD   LYS   7          1HD       LYS   7   4.286   1.511  -4.900
   80   1HE   LYS   7          2HE       LYS   7   2.626   0.694  -6.521
   81   2HE   LYS   7          1HE       LYS   7   1.931   2.321  -6.646
   82   1HZ   LYS   7          1HZ       LYS   7   3.450   2.392  -8.340
   83   2HZ   LYS   7          2HZ       LYS   7   4.542   1.343  -7.569
   84   3HZ   LYS   7          3HZ       LYS   7   4.415   2.960  -7.065
   85    H    ILE   8           H        ILE   8   1.887  -1.488  -0.648
   86    HA   ILE   8           HA       ILE   8  -0.378  -2.455  -2.256
   87    HB   ILE   8           HB       ILE   8   1.157  -3.709   0.042
   88   1HG1  ILE   8          2HG1      ILE   8   1.554  -4.071  -2.944
   89   2HG1  ILE   8          1HG1      ILE   8   2.556  -3.025  -1.939
   90   1HG2  ILE   8          1HG2      ILE   8  -0.689  -5.088  -0.172
   91   2HG2  ILE   8          2HG2      ILE   8   0.351  -5.793  -1.410
   92   3HG2  ILE   8          3HG2      ILE   8  -0.931  -4.673  -1.870
   93   1HD1  ILE   8          1HD1      ILE   8   2.143  -5.890  -1.138
   94   2HD1  ILE   8          2HD1      ILE   8   3.493  -4.815  -0.770
   95   3HD1  ILE   8          3HD1      ILE   8   3.323  -5.496  -2.388
   96    H    LYS   9           H        LYS   9   0.222  -1.176   0.908
   97    HA   LYS   9           HA       LYS   9  -2.206  -2.054   2.175
   98   1HB   LYS   9          2HB       LYS   9  -0.428  -1.352   3.565
   99   2HB   LYS   9          1HB       LYS   9  -0.137   0.093   2.597
  100   1HG   LYS   9          2HG       LYS   9  -2.755  -0.282   4.030
  101   2HG   LYS   9          1HG       LYS   9  -1.349   0.359   4.880
  102   1HD   LYS   9          2HD       LYS   9  -1.364   1.800   2.510
  103   2HD   LYS   9          1HD       LYS   9  -3.077   1.659   2.907
  104   1HE   LYS   9          2HE       LYS   9  -2.015   2.264   5.368
  105   2HE   LYS   9          1HE       LYS   9  -0.952   3.187   4.288
  106   1HZ   LYS   9          1HZ       LYS   9  -3.706   3.276   3.483
  107   2HZ   LYS   9          2HZ       LYS   9  -2.607   4.549   3.717
  108   3HZ   LYS   9          3HZ       LYS   9  -3.473   3.919   5.035
  109    H    PHE  10           H        PHE  10  -1.228   0.971   0.660
  110    HA   PHE  10           HA       PHE  10  -3.684   2.378   0.876
  111   1HB   PHE  10          2HB       PHE  10  -1.144   2.818  -0.086
  112   2HB   PHE  10          1HB       PHE  10  -2.083   2.775  -1.577
  113    HD1  PHE  10           HD1      PHE  10  -3.125   4.728  -2.301
  114    HD2  PHE  10           HD2      PHE  10  -2.230   4.251   1.874
  115    HE1  PHE  10           HE1      PHE  10  -3.935   7.029  -1.864
  116    HE2  PHE  10           HE2      PHE  10  -3.042   6.553   2.311
  117    HZ   PHE  10           HZ       PHE  10  -3.896   7.942   0.441
  118    H    LEU  11           H        LEU  11  -2.612  -0.130  -1.246
  119    HA   LEU  11           HA       LEU  11  -4.803   0.217  -3.195
  120   1HB   LEU  11          2HB       LEU  11  -2.470  -1.652  -2.769
  121   2HB   LEU  11          1HB       LEU  11  -3.692  -2.010  -3.990
  122    HG   LEU  11           HG       LEU  11  -2.177   0.612  -3.832
  123   1HD1  LEU  11          1HD1      LEU  11  -0.997  -0.288  -5.871
  124   2HD1  LEU  11          2HD1      LEU  11  -1.719  -1.859  -5.529
  125   3HD1  LEU  11          3HD1      LEU  11  -0.593  -1.138  -4.380
  126   1HD2  LEU  11          1HD2      LEU  11  -4.222   0.959  -4.984
  127   2HD2  LEU  11          2HD2      LEU  11  -4.146  -0.622  -5.763
  128   3HD2  LEU  11          3HD2      LEU  11  -3.046   0.663  -6.267
  129    H    HIS  12           H        HIS  12  -4.731  -0.959  -0.115
  130    HA   HIS  12           HA       HIS  12  -6.668  -3.154  -0.718
  131   1HB   HIS  12          2HB       HIS  12  -4.344  -2.832   1.022
  132   2HB   HIS  12          1HB       HIS  12  -5.752  -3.447   1.884
  133    HD1  HIS  12           HD1      HIS  12  -4.522  -5.795   2.039
  134    HD2  HIS  12           HD2      HIS  12  -5.448  -4.557  -1.832
  135    HE1  HIS  12           HE1      HIS  12  -4.258  -7.829   0.555
  136    H    SER  13           H        SER  13  -5.907  -0.560   1.537
  137    HA   SER  13           HA       SER  13  -8.557  -0.683   2.793
  138   1HB   SER  13          2HB       SER  13  -5.952   0.230   3.413
  139   2HB   SER  13          1HB       SER  13  -6.992   1.654   3.432
  140    HG   SER  13           HG       SER  13  -7.822   0.935   5.215
  141    H    ALA  14           H        ALA  14  -7.011   1.070   0.244
  142    HA   ALA  14           HA       ALA  14  -8.962   3.279   0.249
  143   1HB   ALA  14          1HB       ALA  14  -6.948   2.522  -1.880
  144   2HB   ALA  14          2HB       ALA  14  -6.480   3.349  -0.395
  145   3HB   ALA  14          3HB       ALA  14  -7.594   4.125  -1.521
  146    H    LYS  15           H        LYS  15  -9.153   0.106  -0.674
  147    HA   LYS  15           HA       LYS  15 -10.199   0.058  -3.281
  148   1HB   LYS  15          2HB       LYS  15 -10.250  -1.544  -0.837
  149   2HB   LYS  15          1HB       LYS  15 -11.689  -1.779  -1.830
  150   1HG   LYS  15          2HG       LYS  15 -10.344  -2.358  -3.756
  151   2HG   LYS  15          1HG       LYS  15  -8.860  -1.929  -2.905
  152   1HD   LYS  15          2HD       LYS  15  -8.800  -3.891  -1.759
  153   2HD   LYS  15          1HD       LYS  15 -10.545  -3.902  -1.500
  154   1HE   LYS  15          2HE       LYS  15 -10.781  -5.403  -3.175
  155   2HE   LYS  15          1HE       LYS  15 -10.034  -4.262  -4.309
  156   1HZ   LYS  15          1HZ       LYS  15  -7.855  -4.928  -3.248
  157   2HZ   LYS  15          2HZ       LYS  15  -8.588  -6.099  -4.240
  158   3HZ   LYS  15          3HZ       LYS  15  -8.690  -6.230  -2.549
  159    H    LYS  16           H        LYS  16 -11.572   1.446  -0.441
  160    HA   LYS  16           HA       LYS  16 -14.333   1.419  -1.475
  161   1HB   LYS  16          2HB       LYS  16 -14.885   2.293   0.651
  162   2HB   LYS  16          1HB       LYS  16 -13.498   1.255   0.980
  163   1HG   LYS  16          2HG       LYS  16 -12.521   3.054   1.934
  164   2HG   LYS  16          1HG       LYS  16 -12.373   3.728   0.310
  165   1HD   LYS  16          2HD       LYS  16 -13.540   5.401   1.507
  166   2HD   LYS  16          1HD       LYS  16 -14.809   4.537   0.638
  167   1HE   LYS  16          2HE       LYS  16 -14.569   3.077   2.991
  168   2HE   LYS  16          1HE       LYS  16 -14.382   4.759   3.528
  169   1HZ   LYS  16          1HZ       LYS  16 -16.613   4.797   3.350
  170   2HZ   LYS  16          2HZ       LYS  16 -16.670   3.456   2.309
  171   3HZ   LYS  16          3HZ       LYS  16 -16.313   4.998   1.693
  172    H    PHE  17           H        PHE  17 -11.637   3.215  -2.230
  173    HA   PHE  17           HA       PHE  17 -12.864   5.874  -2.313
  174   1HB   PHE  17          2HB       PHE  17 -10.370   5.127  -2.089
  175   2HB   PHE  17          1HB       PHE  17 -10.428   4.977  -3.846
  176    HD1  PHE  17           HD1      PHE  17 -11.286   7.005  -5.189
  177    HD2  PHE  17           HD2      PHE  17 -10.063   7.234  -1.078
  178    HE1  PHE  17           HE1      PHE  17 -11.016   9.460  -5.406
  179    HE2  PHE  17           HE2      PHE  17  -9.795   9.690  -1.296
  180    HZ   PHE  17           HZ       PHE  17 -10.272  10.803  -3.460
  181   1HN   NH2  18          1HN       NH2  18 -13.825   6.847  -4.168
  182   2HN   NH2  18          2HN       NH2  18 -14.079   6.033  -5.636
  Start of MODEL   17
    1   1H    LYS   1          1H        LYS   1   5.973  -2.474   5.480
    2   2H    LYS   1          2H        LYS   1   7.490  -3.120   5.889
    3   3H    LYS   1          3H        LYS   1   7.090  -2.850   4.261
    4    HA   LYS   1           HA       LYS   1   6.863  -0.401   4.890
    5   1HB   LYS   1          2HB       LYS   1   6.904  -1.344   7.355
    6   2HB   LYS   1          1HB       LYS   1   8.653  -1.241   7.154
    7   1HG   LYS   1          2HG       LYS   1   7.572   1.179   6.142
    8   2HG   LYS   1          1HG       LYS   1   6.787   0.879   7.693
    9   1HD   LYS   1          2HD       LYS   1   9.075   0.454   8.673
   10   2HD   LYS   1          1HD       LYS   1   9.763   1.007   7.146
   11   1HE   LYS   1          2HE       LYS   1   9.735   2.952   8.533
   12   2HE   LYS   1          1HE       LYS   1   8.308   3.134   7.493
   13   1HZ   LYS   1          1HZ       LYS   1   7.241   3.301   9.459
   14   2HZ   LYS   1          2HZ       LYS   1   8.464   2.502  10.328
   15   3HZ   LYS   1          3HZ       LYS   1   7.324   1.607   9.439
   16    H    TRP   2           H        TRP   2   8.878   0.931   4.561
   17    HA   TRP   2           HA       TRP   2  11.023   1.272   3.611
   18   1HB   TRP   2          2HB       TRP   2  11.294  -0.679   5.477
   19   2HB   TRP   2          1HB       TRP   2  11.762  -1.578   4.035
   20    HD1  TRP   2           HD1      TRP   2  13.968  -0.876   2.790
   21    HE1  TRP   2           HE1      TRP   2  15.951   0.630   3.461
   22    HE3  TRP   2           HE3      TRP   2  11.947   1.494   6.837
   23    HZ2  TRP   2           HZ2      TRP   2  16.594   2.581   5.451
   24    HZ3  TRP   2           HZ3      TRP   2  13.264   3.169   8.100
   25    HH2  TRP   2           HH2      TRP   2  15.584   3.715   7.414
   26    H    LYS   3           H        LYS   3  10.092  -2.117   2.877
   27    HA   LYS   3           HA       LYS   3  11.056  -2.018   0.161
   28   1HB   LYS   3          2HB       LYS   3   9.056  -3.814   1.575
   29   2HB   LYS   3          1HB       LYS   3   9.813  -4.176   0.023
   30   1HG   LYS   3          2HG       LYS   3  11.897  -4.550   0.968
   31   2HG   LYS   3          1HG       LYS   3  11.576  -3.497   2.347
   32   1HD   LYS   3          2HD       LYS   3  11.480  -5.667   3.274
   33   2HD   LYS   3          1HD       LYS   3   9.786  -5.252   3.008
   34   1HE   LYS   3          2HE       LYS   3  10.172  -6.375   0.651
   35   2HE   LYS   3          1HE       LYS   3  11.520  -7.176   1.482
   36   1HZ   LYS   3          1HZ       LYS   3  10.124  -8.135   3.026
   37   2HZ   LYS   3          2HZ       LYS   3   9.158  -8.204   1.629
   38   3HZ   LYS   3          3HZ       LYS   3   8.889  -6.996   2.792
   39    H    LEU   4           H        LEU   4   9.011  -3.000  -1.410
   40    HA   LEU   4           HA       LEU   4   7.410  -0.590  -1.909
   41   1HB   LEU   4          2HB       LEU   4   7.591  -3.328  -3.208
   42   2HB   LEU   4          1HB       LEU   4   6.667  -1.977  -3.866
   43    HG   LEU   4           HG       LEU   4   9.575  -1.624  -3.184
   44   1HD1  LEU   4          1HD1      LEU   4  10.311  -2.765  -5.005
   45   2HD1  LEU   4          2HD1      LEU   4   8.960  -2.221  -6.000
   46   3HD1  LEU   4          3HD1      LEU   4   8.760  -3.601  -4.920
   47   1HD2  LEU   4          1HD2      LEU   4   9.085  -0.173  -5.407
   48   2HD2  LEU   4          2HD2      LEU   4   8.766   0.443  -3.786
   49   3HD2  LEU   4          3HD2      LEU   4   7.451  -0.237  -4.745
   50    H    PHE   5           H        PHE   5   7.032  -2.887   0.347
   51    HA   PHE   5           HA       PHE   5   4.315  -3.798  -0.088
   52   1HB   PHE   5          2HB       PHE   5   6.131  -4.853   1.326
   53   2HB   PHE   5          1HB       PHE   5   5.899  -3.545   2.485
   54    HD1  PHE   5           HD1      PHE   5   4.959  -4.652   4.354
   55    HD2  PHE   5           HD2      PHE   5   3.308  -5.282   0.439
   56    HE1  PHE   5           HE1      PHE   5   3.049  -5.874   5.357
   57    HE2  PHE   5           HE2      PHE   5   1.397  -6.504   1.441
   58    HZ   PHE   5           HZ       PHE   5   1.268  -6.801   3.901
   59    H    LYS   6           H        LYS   6   5.565  -0.779   0.670
   60    HA   LYS   6           HA       LYS   6   3.435   0.074   2.511
   61   1HB   LYS   6          2HB       LYS   6   4.643   2.198   2.413
   62   2HB   LYS   6          1HB       LYS   6   5.810   0.884   2.569
   63   1HG   LYS   6          2HG       LYS   6   6.141   0.911   0.106
   64   2HG   LYS   6          1HG       LYS   6   5.023   2.270  -0.012
   65   1HD   LYS   6          2HD       LYS   6   6.772   3.123   1.940
   66   2HD   LYS   6          1HD       LYS   6   7.833   2.228   0.851
   67   1HE   LYS   6          2HE       LYS   6   7.479   3.689  -0.914
   68   2HE   LYS   6          1HE       LYS   6   5.848   4.120  -0.364
   69   1HZ   LYS   6          1HZ       LYS   6   8.442   4.962   0.798
   70   2HZ   LYS   6          2HZ       LYS   6   6.977   5.105   1.645
   71   3HZ   LYS   6          3HZ       LYS   6   7.206   5.950   0.189
   72    H    LYS   7           H        LYS   7   3.634  -0.436  -0.794
   73    HA   LYS   7           HA       LYS   7   1.805   1.808  -1.476
   74   1HB   LYS   7          2HB       LYS   7   3.901   1.292  -2.790
   75   2HB   LYS   7          1HB       LYS   7   3.154  -0.237  -3.255
   76   1HG   LYS   7          2HG       LYS   7   2.307   0.930  -5.005
   77   2HG   LYS   7          1HG       LYS   7   1.159   1.566  -3.827
   78   1HD   LYS   7          2HD       LYS   7   3.852   2.863  -4.203
   79   2HD   LYS   7          1HD       LYS   7   2.499   3.266  -5.263
   80   1HE   LYS   7          2HE       LYS   7   1.778   4.713  -3.675
   81   2HE   LYS   7          1HE       LYS   7   1.474   3.322  -2.615
   82   1HZ   LYS   7          1HZ       LYS   7   3.050   4.581  -1.462
   83   2HZ   LYS   7          2HZ       LYS   7   3.940   4.938  -2.863
   84   3HZ   LYS   7          3HZ       LYS   7   3.973   3.371  -2.209
   85    H    ILE   8           H        ILE   8   1.884  -1.609  -0.990
   86    HA   ILE   8           HA       ILE   8  -0.650  -2.124  -2.393
   87    HB   ILE   8           HB       ILE   8   1.122  -3.799  -0.588
   88   1HG1  ILE   8          2HG1      ILE   8   0.885  -3.502  -3.594
   89   2HG1  ILE   8          1HG1      ILE   8   2.309  -3.216  -2.593
   90   1HG2  ILE   8          1HG2      ILE   8  -0.413  -5.443  -0.719
   91   2HG2  ILE   8          2HG2      ILE   8  -0.536  -5.254  -2.468
   92   3HG2  ILE   8          3HG2      ILE   8  -1.532  -4.264  -1.402
   93   1HD1  ILE   8          1HD1      ILE   8   0.957  -5.889  -3.063
   94   2HD1  ILE   8          2HD1      ILE   8   2.313  -5.628  -1.966
   95   3HD1  ILE   8          3HD1      ILE   8   2.522  -5.383  -3.700
   96    H    LYS   9           H        LYS   9   0.351  -1.093   0.698
   97    HA   LYS   9           HA       LYS   9  -1.845  -2.166   2.250
   98   1HB   LYS   9          2HB       LYS   9   0.007  -1.640   3.535
   99   2HB   LYS   9          1HB       LYS   9   0.417  -0.246   2.540
  100   1HG   LYS   9          2HG       LYS   9  -2.077  -0.222   4.221
  101   2HG   LYS   9          1HG       LYS   9  -0.512   0.163   4.939
  102   1HD   LYS   9          2HD       LYS   9  -0.646   1.575   2.485
  103   2HD   LYS   9          1HD       LYS   9  -2.190   1.831   3.299
  104   1HE   LYS   9          2HE       LYS   9   0.251   2.025   5.002
  105   2HE   LYS   9          1HE       LYS   9  -0.035   3.348   3.855
  106   1HZ   LYS   9          1HZ       LYS   9  -1.201   3.582   6.049
  107   2HZ   LYS   9          2HZ       LYS   9  -2.150   2.243   5.613
  108   3HZ   LYS   9          3HZ       LYS   9  -2.209   3.666   4.689
  109    H    PHE  10           H        PHE  10  -1.154   0.921   0.707
  110    HA   PHE  10           HA       PHE  10  -3.654   2.173   1.530
  111   1HB   PHE  10          2HB       PHE  10  -1.212   2.786  -0.004
  112   2HB   PHE  10          1HB       PHE  10  -2.652   3.610  -0.601
  113    HD1  PHE  10           HD1      PHE  10  -4.244   4.392   1.535
  114    HD2  PHE  10           HD2      PHE  10   0.037   4.036   1.502
  115    HE1  PHE  10           HE1      PHE  10  -4.095   6.008   3.410
  116    HE2  PHE  10           HE2      PHE  10   0.186   5.652   3.378
  117    HZ   PHE  10           HZ       PHE  10  -1.880   6.638   4.331
  118    H    LEU  11           H        LEU  11  -2.676   0.039  -0.942
  119    HA   LEU  11           HA       LEU  11  -4.802   0.766  -2.848
  120   1HB   LEU  11          2HB       LEU  11  -2.648  -1.346  -2.664
  121   2HB   LEU  11          1HB       LEU  11  -3.812  -1.314  -3.988
  122    HG   LEU  11           HG       LEU  11  -1.976   0.973  -3.219
  123   1HD1  LEU  11          1HD1      LEU  11  -1.801  -1.255  -5.206
  124   2HD1  LEU  11          2HD1      LEU  11  -0.518  -0.473  -4.282
  125   3HD1  LEU  11          3HD1      LEU  11  -1.206   0.333  -5.692
  126   1HD2  LEU  11          1HD2      LEU  11  -3.102   1.148  -5.852
  127   2HD2  LEU  11          2HD2      LEU  11  -3.314   2.257  -4.497
  128   3HD2  LEU  11          3HD2      LEU  11  -4.412   0.892  -4.700
  129    H    HIS  12           H        HIS  12  -4.726  -0.932   0.019
  130    HA   HIS  12           HA       HIS  12  -6.792  -2.892  -0.862
  131   1HB   HIS  12          2HB       HIS  12  -4.597  -2.796   1.078
  132   2HB   HIS  12          1HB       HIS  12  -6.092  -3.428   1.766
  133    HD1  HIS  12           HD1      HIS  12  -5.900  -5.923   1.673
  134    HD2  HIS  12           HD2      HIS  12  -4.565  -4.141  -1.852
  135    HE1  HIS  12           HE1      HIS  12  -5.346  -7.812   0.081
  136    H    SER  13           H        SER  13  -6.169  -0.174   1.210
  137    HA   SER  13           HA       SER  13  -8.761  -0.355   2.585
  138   1HB   SER  13          2HB       SER  13  -6.486   1.641   2.581
  139   2HB   SER  13          1HB       SER  13  -7.906   1.791   3.610
  140    HG   SER  13           HG       SER  13  -5.729   0.142   3.822
  141    H    ALA  14           H        ALA  14  -7.340   1.279  -0.125
  142    HA   ALA  14           HA       ALA  14  -9.308   3.381  -0.394
  143   1HB   ALA  14          1HB       ALA  14  -7.660   3.996  -1.811
  144   2HB   ALA  14          2HB       ALA  14  -8.166   2.706  -2.903
  145   3HB   ALA  14          3HB       ALA  14  -6.930   2.396  -1.684
  146    H    LYS  15           H        LYS  15  -9.399   0.032  -0.980
  147    HA   LYS  15           HA       LYS  15 -11.254  -0.017  -3.203
  148   1HB   LYS  15          2HB       LYS  15  -9.992  -1.945  -2.891
  149   2HB   LYS  15          1HB       LYS  15 -10.101  -1.846  -1.137
  150   1HG   LYS  15          2HG       LYS  15 -12.593  -2.400  -1.413
  151   2HG   LYS  15          1HG       LYS  15 -12.192  -2.840  -3.077
  152   1HD   LYS  15          2HD       LYS  15 -10.398  -4.345  -2.159
  153   2HD   LYS  15          1HD       LYS  15 -11.021  -4.011  -0.544
  154   1HE   LYS  15          2HE       LYS  15 -13.336  -4.715  -1.761
  155   2HE   LYS  15          1HE       LYS  15 -12.192  -5.693  -2.703
  156   1HZ   LYS  15          1HZ       LYS  15 -11.824  -5.544   0.198
  157   2HZ   LYS  15          2HZ       LYS  15 -11.482  -6.820  -0.870
  158   3HZ   LYS  15          3HZ       LYS  15 -13.083  -6.521  -0.384
  159    H    LYS  16           H        LYS  16 -11.580   0.874   0.029
  160    HA   LYS  16           HA       LYS  16 -14.151  -0.168   0.736
  161   1HB   LYS  16          2HB       LYS  16 -12.284   1.985   1.566
  162   2HB   LYS  16          1HB       LYS  16 -13.963   2.201   2.059
  163   1HG   LYS  16          2HG       LYS  16 -13.589  -0.439   2.645
  164   2HG   LYS  16          1HG       LYS  16 -11.977   0.206   2.959
  165   1HD   LYS  16          2HD       LYS  16 -13.110   0.471   5.019
  166   2HD   LYS  16          1HD       LYS  16 -13.186   2.069   4.277
  167   1HE   LYS  16          2HE       LYS  16 -15.461   1.875   3.771
  168   2HE   LYS  16          1HE       LYS  16 -15.407   0.101   3.762
  169   1HZ   LYS  16          1HZ       LYS  16 -15.322  -0.006   6.045
  170   2HZ   LYS  16          2HZ       LYS  16 -16.352   1.328   5.827
  171   3HZ   LYS  16          3HZ       LYS  16 -14.715   1.569   6.216
  172    H    PHE  17           H        PHE  17 -15.780   1.959   1.307
  173    HA   PHE  17           HA       PHE  17 -16.308   3.276  -1.336
  174   1HB   PHE  17          2HB       PHE  17 -17.776   1.359  -1.068
  175   2HB   PHE  17          1HB       PHE  17 -18.189   1.853   0.574
  176    HD1  PHE  17           HD1      PHE  17 -18.244   3.173  -2.942
  177    HD2  PHE  17           HD2      PHE  17 -20.121   3.111   0.922
  178    HE1  PHE  17           HE1      PHE  17 -20.100   4.564  -3.820
  179    HE2  PHE  17           HE2      PHE  17 -21.976   4.501   0.044
  180    HZ   PHE  17           HZ       PHE  17 -21.966   5.228  -2.328
  181   1HN   NH2  18          1HN       NH2  18 -14.982   4.448   1.050
  182   2HN   NH2  18          2HN       NH2  18 -16.003   5.679   1.620
  Start of MODEL   18
    1   1H    LYS   1          1H        LYS   1  12.791  -0.588  -6.822
    2   2H    LYS   1          2H        LYS   1  13.772  -1.694  -7.658
    3   3H    LYS   1          3H        LYS   1  14.447  -0.275  -7.013
    4    HA   LYS   1           HA       LYS   1  14.585  -2.635  -5.781
    5   1HB   LYS   1          2HB       LYS   1  15.256   0.004  -5.382
    6   2HB   LYS   1          1HB       LYS   1  14.213  -0.314  -3.996
    7   1HG   LYS   1          2HG       LYS   1  16.532  -0.851  -3.424
    8   2HG   LYS   1          1HG       LYS   1  15.572  -2.330  -3.470
    9   1HD   LYS   1          2HD       LYS   1  16.422  -2.106  -6.084
   10   2HD   LYS   1          1HD       LYS   1  17.815  -1.506  -5.182
   11   1HE   LYS   1          2HE       LYS   1  18.155  -3.544  -4.093
   12   2HE   LYS   1          1HE       LYS   1  16.460  -4.035  -4.271
   13   1HZ   LYS   1          1HZ       LYS   1  17.249  -5.186  -6.021
   14   2HZ   LYS   1          2HZ       LYS   1  18.647  -4.233  -6.167
   15   3HZ   LYS   1          3HZ       LYS   1  17.175  -3.691  -6.819
   16    H    TRP   2           H        TRP   2  13.228  -3.979  -4.669
   17    HA   TRP   2           HA       TRP   2  10.454  -3.753  -4.494
   18   1HB   TRP   2          2HB       TRP   2  10.815  -5.368  -2.509
   19   2HB   TRP   2          1HB       TRP   2  11.502  -5.832  -4.063
   20    HD1  TRP   2           HD1      TRP   2  13.383  -3.070  -2.392
   21    HE1  TRP   2           HE1      TRP   2  15.573  -3.973  -1.386
   22    HE3  TRP   2           HE3      TRP   2  12.561  -8.097  -2.842
   23    HZ2  TRP   2           HZ2      TRP   2  16.816  -6.484  -0.842
   24    HZ3  TRP   2           HZ3      TRP   2  14.269  -9.718  -2.071
   25    HH2  TRP   2           HH2      TRP   2  16.394  -8.919  -1.072
   26    H    LYS   3           H        LYS   3   9.641  -1.755  -3.765
   27    HA   LYS   3           HA       LYS   3   9.928  -1.258  -0.842
   28   1HB   LYS   3          2HB       LYS   3  11.078   0.274  -3.036
   29   2HB   LYS   3          1HB       LYS   3  10.004   1.269  -2.053
   30   1HG   LYS   3          2HG       LYS   3  11.287   1.014  -0.140
   31   2HG   LYS   3          1HG       LYS   3  11.952  -0.535  -0.665
   32   1HD   LYS   3          2HD       LYS   3  13.206   0.714  -2.470
   33   2HD   LYS   3          1HD       LYS   3  12.678   2.216  -1.710
   34   1HE   LYS   3          2HE       LYS   3  13.820   0.353   0.237
   35   2HE   LYS   3          1HE       LYS   3  14.976   0.802  -1.034
   36   1HZ   LYS   3          1HZ       LYS   3  13.252   2.752   0.390
   37   2HZ   LYS   3          2HZ       LYS   3  14.518   3.098  -0.688
   38   3HZ   LYS   3          3HZ       LYS   3  14.855   2.425   0.836
   39    H    LEU   4           H        LEU   4   7.851  -1.902  -3.211
   40    HA   LEU   4           HA       LEU   4   5.886   0.251  -2.825
   41   1HB   LEU   4          2HB       LEU   4   4.600  -1.064  -4.434
   42   2HB   LEU   4          1HB       LEU   4   6.280  -0.973  -4.972
   43    HG   LEU   4           HG       LEU   4   6.095  -3.179  -3.219
   44   1HD1  LEU   4          1HD1      LEU   4   3.934  -3.162  -5.350
   45   2HD1  LEU   4          2HD1      LEU   4   3.661  -3.141  -3.609
   46   3HD1  LEU   4          3HD1      LEU   4   4.388  -4.556  -4.369
   47   1HD2  LEU   4          1HD2      LEU   4   7.658  -3.024  -5.076
   48   2HD2  LEU   4          2HD2      LEU   4   6.334  -2.948  -6.236
   49   3HD2  LEU   4          3HD2      LEU   4   6.635  -4.435  -5.337
   50    H    PHE   5           H        PHE   5   6.845  -2.262  -0.915
   51    HA   PHE   5           HA       PHE   5   4.580  -3.683  -0.114
   52   1HB   PHE   5          2HB       PHE   5   6.907  -4.004   0.669
   53   2HB   PHE   5          1HB       PHE   5   6.790  -2.503   1.584
   54    HD1  PHE   5           HD1      PHE   5   6.231  -6.036   1.643
   55    HD2  PHE   5           HD2      PHE   5   4.874  -2.322   3.319
   56    HE1  PHE   5           HE1      PHE   5   5.216  -7.264   3.544
   57    HE2  PHE   5           HE2      PHE   5   3.860  -3.550   5.219
   58    HZ   PHE   5           HZ       PHE   5   4.030  -6.021   5.331
   59    H    LYS   6           H        LYS   6   5.686  -0.569   1.130
   60    HA   LYS   6           HA       LYS   6   3.558  -0.082   2.950
   61   1HB   LYS   6          2HB       LYS   6   4.361   2.231   2.820
   62   2HB   LYS   6          1HB       LYS   6   5.742   1.133   2.772
   63   1HG   LYS   6          2HG       LYS   6   6.035   1.416   0.444
   64   2HG   LYS   6          1HG       LYS   6   4.427   2.110   0.238
   65   1HD   LYS   6          2HD       LYS   6   5.346   3.946   1.902
   66   2HD   LYS   6          1HD       LYS   6   6.914   3.384   1.321
   67   1HE   LYS   6          2HE       LYS   6   5.257   3.649  -0.974
   68   2HE   LYS   6          1HE       LYS   6   5.058   5.128  -0.011
   69   1HZ   LYS   6          1HZ       LYS   6   7.011   5.626  -1.042
   70   2HZ   LYS   6          2HZ       LYS   6   7.480   4.001  -1.210
   71   3HZ   LYS   6          3HZ       LYS   6   7.638   4.784   0.291
   72    H    LYS   7           H        LYS   7   3.596  -0.133  -0.461
   73    HA   LYS   7           HA       LYS   7   1.225   1.623  -0.743
   74   1HB   LYS   7          2HB       LYS   7   3.450   1.163  -2.255
   75   2HB   LYS   7          1HB       LYS   7   2.290   0.091  -3.039
   76   1HG   LYS   7          2HG       LYS   7   2.021   2.163  -4.157
   77   2HG   LYS   7          1HG       LYS   7   0.684   2.109  -3.006
   78   1HD   LYS   7          2HD       LYS   7   1.458   4.180  -2.422
   79   2HD   LYS   7          1HD       LYS   7   2.603   3.246  -1.456
   80   1HE   LYS   7          2HE       LYS   7   3.868   4.864  -2.771
   81   2HE   LYS   7          1HE       LYS   7   4.162   3.255  -3.459
   82   1HZ   LYS   7          1HZ       LYS   7   1.801   4.238  -4.579
   83   2HZ   LYS   7          2HZ       LYS   7   3.281   3.949  -5.359
   84   3HZ   LYS   7          3HZ       LYS   7   2.952   5.477  -4.696
   85    H    ILE   8           H        ILE   8   2.008  -1.692  -0.385
   86    HA   ILE   8           HA       ILE   8  -0.260  -2.830  -1.779
   87    HB   ILE   8           HB       ILE   8   1.590  -3.789   0.423
   88   1HG1  ILE   8          2HG1      ILE   8   1.410  -4.413  -2.544
   89   2HG1  ILE   8          1HG1      ILE   8   2.651  -3.427  -1.767
   90   1HG2  ILE   8          1HG2      ILE   8  -0.175  -5.592  -1.223
   91   2HG2  ILE   8          2HG2      ILE   8  -0.778  -4.872   0.269
   92   3HG2  ILE   8          3HG2      ILE   8   0.631  -5.930   0.309
   93   1HD1  ILE   8          1HD1      ILE   8   3.574  -5.636  -2.058
   94   2HD1  ILE   8          2HD1      ILE   8   2.137  -6.384  -1.362
   95   3HD1  ILE   8          3HD1      ILE   8   3.222  -5.440  -0.341
   96    H    LYS   9           H        LYS   9   0.350  -1.619   1.423
   97    HA   LYS   9           HA       LYS   9  -2.068  -2.572   2.653
   98   1HB   LYS   9          2HB       LYS   9  -0.153  -1.914   3.974
   99   2HB   LYS   9          1HB       LYS   9  -0.111  -0.326   3.205
  100   1HG   LYS   9          2HG       LYS   9  -2.534  -1.254   4.732
  101   2HG   LYS   9          1HG       LYS   9  -1.172  -0.495   5.555
  102   1HD   LYS   9          2HD       LYS   9  -1.521   1.231   3.477
  103   2HD   LYS   9          1HD       LYS   9  -3.182   0.695   3.734
  104   1HE   LYS   9          2HE       LYS   9  -2.706   2.680   5.130
  105   2HE   LYS   9          1HE       LYS   9  -2.948   1.262   6.169
  106   1HZ   LYS   9          1HZ       LYS   9  -0.815   1.259   6.788
  107   2HZ   LYS   9          2HZ       LYS   9  -0.737   2.840   6.172
  108   3HZ   LYS   9          3HZ       LYS   9  -0.251   1.526   5.211
  109    H    PHE  10           H        PHE  10  -1.084   0.492   1.227
  110    HA   PHE  10           HA       PHE  10  -3.612   1.830   1.492
  111   1HB   PHE  10          2HB       PHE  10  -0.977   2.262   0.415
  112   2HB   PHE  10          1HB       PHE  10  -2.171   2.767  -0.781
  113    HD1  PHE  10           HD1      PHE  10  -4.393   3.520   1.170
  114    HD2  PHE  10           HD2      PHE  10  -0.191   4.411   1.117
  115    HE1  PHE  10           HE1      PHE  10  -4.814   5.590   2.471
  116    HE2  PHE  10           HE2      PHE  10  -0.612   6.479   2.419
  117    HZ   PHE  10           HZ       PHE  10  -2.924   7.069   3.096
  118    H    LEU  11           H        LEU  11  -2.602  -0.749  -0.471
  119    HA   LEU  11           HA       LEU  11  -4.336  -0.138  -2.765
  120   1HB   LEU  11          2HB       LEU  11  -2.402  -2.229  -1.907
  121   2HB   LEU  11          1HB       LEU  11  -3.640  -2.735  -3.059
  122    HG   LEU  11           HG       LEU  11  -1.849  -0.315  -3.414
  123   1HD1  LEU  11          1HD1      LEU  11  -0.801  -1.719  -5.211
  124   2HD1  LEU  11          2HD1      LEU  11  -1.735  -3.095  -4.625
  125   3HD1  LEU  11          3HD1      LEU  11  -0.522  -2.348  -3.586
  126   1HD2  LEU  11          1HD2      LEU  11  -2.752  -0.660  -5.829
  127   2HD2  LEU  11          2HD2      LEU  11  -3.828   0.077  -4.643
  128   3HD2  LEU  11          3HD2      LEU  11  -4.012  -1.626  -5.061
  129    H    HIS  12           H        HIS  12  -4.834  -1.364   0.336
  130    HA   HIS  12           HA       HIS  12  -7.240  -2.909  -0.521
  131   1HB   HIS  12          2HB       HIS  12  -5.198  -3.148   1.558
  132   2HB   HIS  12          1HB       HIS  12  -6.832  -3.270   2.207
  133    HD1  HIS  12           HD1      HIS  12  -7.162  -5.761   2.469
  134    HD2  HIS  12           HD2      HIS  12  -5.603  -4.763  -1.269
  135    HE1  HIS  12           HE1      HIS  12  -7.152  -7.895   1.103
  136    H    SER  13           H        SER  13  -6.079  -0.203   1.306
  137    HA   SER  13           HA       SER  13  -8.701   0.416   2.488
  138   1HB   SER  13          2HB       SER  13  -6.546   2.435   2.487
  139   2HB   SER  13          1HB       SER  13  -7.437   1.756   3.843
  140    HG   SER  13           HG       SER  13  -5.000   1.138   2.963
  141    H    ALA  14           H        ALA  14  -7.050   0.974  -0.438
  142    HA   ALA  14           HA       ALA  14  -8.356   3.525  -1.082
  143   1HB   ALA  14          1HB       ALA  14  -7.257   2.581  -3.397
  144   2HB   ALA  14          2HB       ALA  14  -6.322   1.688  -2.199
  145   3HB   ALA  14          3HB       ALA  14  -6.339   3.452  -2.167
  146    H    LYS  15           H        LYS  15  -9.018   0.162  -1.418
  147    HA   LYS  15           HA       LYS  15 -10.656   0.105  -3.731
  148   1HB   LYS  15          2HB       LYS  15 -11.423  -1.973  -2.846
  149   2HB   LYS  15          1HB       LYS  15  -9.789  -1.785  -2.207
  150   1HG   LYS  15          2HG       LYS  15 -10.719  -0.865  -0.108
  151   2HG   LYS  15          1HG       LYS  15 -12.352  -1.075  -0.745
  152   1HD   LYS  15          2HD       LYS  15 -11.837  -3.533  -1.017
  153   2HD   LYS  15          1HD       LYS  15 -10.329  -3.249  -0.145
  154   1HE   LYS  15          2HE       LYS  15 -12.703  -2.124   1.203
  155   2HE   LYS  15          1HE       LYS  15 -12.708  -3.895   1.079
  156   1HZ   LYS  15          1HZ       LYS  15 -10.420  -3.909   1.898
  157   2HZ   LYS  15          2HZ       LYS  15 -11.466  -3.192   3.029
  158   3HZ   LYS  15          3HZ       LYS  15 -10.455  -2.222   2.067
  159    H    LYS  16           H        LYS  16 -11.399   0.940  -0.409
  160    HA   LYS  16           HA       LYS  16 -14.227   1.522  -1.005
  161   1HB   LYS  16          2HB       LYS  16 -14.322   1.937   1.385
  162   2HB   LYS  16          1HB       LYS  16 -13.313   0.510   1.136
  163   1HG   LYS  16          2HG       LYS  16 -11.293   1.963   1.226
  164   2HG   LYS  16          1HG       LYS  16 -12.331   3.345   1.574
  165   1HD   LYS  16          2HD       LYS  16 -13.234   1.868   3.528
  166   2HD   LYS  16          1HD       LYS  16 -11.745   0.950   3.296
  167   1HE   LYS  16          2HE       LYS  16 -10.480   3.152   3.474
  168   2HE   LYS  16          1HE       LYS  16 -12.005   3.884   4.007
  169   1HZ   LYS  16          1HZ       LYS  16 -11.015   1.379   5.216
  170   2HZ   LYS  16          2HZ       LYS  16 -12.128   2.498   5.847
  171   3HZ   LYS  16          3HZ       LYS  16 -10.475   2.883   5.787
  172    H    PHE  17           H        PHE  17 -15.070   3.644  -1.194
  173    HA   PHE  17           HA       PHE  17 -13.098   5.755  -1.804
  174   1HB   PHE  17          2HB       PHE  17 -15.056   5.306  -3.243
  175   2HB   PHE  17          1HB       PHE  17 -16.131   5.662  -1.892
  176    HD1  PHE  17           HD1      PHE  17 -13.372   7.163  -3.932
  177    HD2  PHE  17           HD2      PHE  17 -16.835   7.869  -1.487
  178    HE1  PHE  17           HE1      PHE  17 -13.268   9.580  -4.482
  179    HE2  PHE  17           HE2      PHE  17 -16.729  10.285  -2.037
  180    HZ   PHE  17           HZ       PHE  17 -14.946  11.140  -3.532
  181   1HN   NH2  18          1HN       NH2  18 -13.468   8.001  -0.814
  182   2HN   NH2  18          2HN       NH2  18 -13.957   8.095   0.808
  Start of MODEL   19
    1   1H    LYS   1          1H        LYS   1   7.837  -7.735  -4.334
    2   2H    LYS   1          2H        LYS   1   7.022  -9.138  -3.832
    3   3H    LYS   1          3H        LYS   1   7.967  -9.160  -5.244
    4    HA   LYS   1           HA       LYS   1   8.788  -9.393  -2.463
    5   1HB   LYS   1          2HB       LYS   1   9.372 -10.405  -5.213
    6   2HB   LYS   1          1HB       LYS   1  10.669 -10.505  -4.023
    7   1HG   LYS   1          2HG       LYS   1   8.076 -11.361  -2.958
    8   2HG   LYS   1          1HG       LYS   1   8.622 -12.345  -4.315
    9   1HD   LYS   1          2HD       LYS   1  10.119 -13.379  -2.995
   10   2HD   LYS   1          1HD       LYS   1  10.860 -11.829  -2.594
   11   1HE   LYS   1          2HE       LYS   1   8.559 -11.752  -1.077
   12   2HE   LYS   1          1HE       LYS   1   9.002 -13.469  -1.002
   13   1HZ   LYS   1          1HZ       LYS   1  10.360 -12.613   0.617
   14   2HZ   LYS   1          2HZ       LYS   1  10.547 -11.114  -0.162
   15   3HZ   LYS   1          3HZ       LYS   1  11.385 -12.480  -0.727
   16    H    TRP   2           H        TRP   2   9.119  -6.937  -2.235
   17    HA   TRP   2           HA       TRP   2  11.929  -6.312  -2.731
   18   1HB   TRP   2          2HB       TRP   2  10.793  -5.930  -4.925
   19   2HB   TRP   2          1HB       TRP   2   9.763  -4.729  -4.151
   20    HD1  TRP   2           HD1      TRP   2  13.393  -5.005  -3.106
   21    HE1  TRP   2           HE1      TRP   2  14.665  -2.904  -3.885
   22    HE3  TRP   2           HE3      TRP   2   9.806  -2.832  -6.018
   23    HZ2  TRP   2           HZ2      TRP   2  14.224  -0.606  -5.528
   24    HZ3  TRP   2           HZ3      TRP   2  10.259  -0.690  -7.179
   25    HH2  TRP   2           HH2      TRP   2  12.460   0.426  -6.938
   26    H    LYS   3           H        LYS   3   9.817  -3.573  -2.754
   27    HA   LYS   3           HA       LYS   3   9.753  -3.384   0.210
   28   1HB   LYS   3          2HB       LYS   3  11.688  -2.148  -1.564
   29   2HB   LYS   3          1HB       LYS   3  10.765  -0.918  -0.702
   30   1HG   LYS   3          2HG       LYS   3  11.259  -2.712   1.305
   31   2HG   LYS   3          1HG       LYS   3  12.725  -2.863   0.335
   32   1HD   LYS   3          2HD       LYS   3  13.003  -0.399   0.392
   33   2HD   LYS   3          1HD       LYS   3  11.567  -0.274   1.408
   34   1HE   LYS   3          2HE       LYS   3  13.670  -0.245   2.758
   35   2HE   LYS   3          1HE       LYS   3  12.667  -1.657   3.142
   36   1HZ   LYS   3          1HZ       LYS   3  14.087  -3.061   2.132
   37   2HZ   LYS   3          2HZ       LYS   3  15.228  -1.832   2.402
   38   3HZ   LYS   3          3HZ       LYS   3  14.467  -1.971   0.889
   39    H    LEU   4           H        LEU   4   7.985  -3.253  -2.434
   40    HA   LEU   4           HA       LEU   4   6.726  -0.614  -2.160
   41   1HB   LEU   4          2HB       LEU   4   5.306  -1.504  -3.988
   42   2HB   LEU   4          1HB       LEU   4   7.022  -1.735  -4.332
   43    HG   LEU   4           HG       LEU   4   6.305  -3.978  -2.854
   44   1HD1  LEU   4          1HD1      LEU   4   3.920  -2.950  -3.733
   45   2HD1  LEU   4          2HD1      LEU   4   4.204  -4.661  -3.413
   46   3HD1  LEU   4          3HD1      LEU   4   4.340  -4.037  -5.058
   47   1HD2  LEU   4          1HD2      LEU   4   7.048  -3.301  -5.636
   48   2HD2  LEU   4          2HD2      LEU   4   6.234  -4.853  -5.450
   49   3HD2  LEU   4          3HD2      LEU   4   7.721  -4.527  -4.561
   50    H    PHE   5           H        PHE   5   6.672  -2.986  -0.065
   51    HA   PHE   5           HA       PHE   5   4.026  -3.907   0.233
   52   1HB   PHE   5          2HB       PHE   5   4.878  -4.741   2.205
   53   2HB   PHE   5          1HB       PHE   5   6.393  -4.292   1.441
   54    HD1  PHE   5           HD1      PHE   5   7.524  -2.148   2.052
   55    HD2  PHE   5           HD2      PHE   5   4.043  -3.565   4.132
   56    HE1  PHE   5           HE1      PHE   5   7.994  -0.576   3.911
   57    HE2  PHE   5           HE2      PHE   5   4.514  -1.993   5.992
   58    HZ   PHE   5           HZ       PHE   5   6.489  -0.498   5.882
   59    H    LYS   6           H        LYS   6   5.430  -0.811   0.957
   60    HA   LYS   6           HA       LYS   6   3.201   0.111   2.616
   61   1HB   LYS   6          2HB       LYS   6   4.442   2.220   2.564
   62   2HB   LYS   6          1HB       LYS   6   5.572   0.889   2.809
   63   1HG   LYS   6          2HG       LYS   6   6.066   0.883   0.375
   64   2HG   LYS   6          1HG       LYS   6   4.982   2.262   0.170
   65   1HD   LYS   6          2HD       LYS   6   6.383   3.702   1.405
   66   2HD   LYS   6          1HD       LYS   6   7.256   2.361   2.146
   67   1HE   LYS   6          2HE       LYS   6   8.552   1.977   0.246
   68   2HE   LYS   6          1HE       LYS   6   7.339   2.678  -0.844
   69   1HZ   LYS   6          1HZ       LYS   6   9.357   4.005   0.775
   70   2HZ   LYS   6          2HZ       LYS   6   7.827   4.744   0.761
   71   3HZ   LYS   6          3HZ       LYS   6   8.663   4.486  -0.696
   72    H    LYS   7           H        LYS   7   3.474  -0.517  -0.630
   73    HA   LYS   7           HA       LYS   7   1.763   1.767  -1.485
   74   1HB   LYS   7          2HB       LYS   7   3.957   0.656  -2.609
   75   2HB   LYS   7          1HB       LYS   7   2.714  -0.344  -3.360
   76   1HG   LYS   7          2HG       LYS   7   1.528   1.747  -4.062
   77   2HG   LYS   7          1HG       LYS   7   2.883   2.682  -3.429
   78   1HD   LYS   7          2HD       LYS   7   3.783   2.459  -5.495
   79   2HD   LYS   7          1HD       LYS   7   4.144   0.802  -5.010
   80   1HE   LYS   7          2HE       LYS   7   1.842   0.148  -5.866
   81   2HE   LYS   7          1HE       LYS   7   1.726   1.775  -6.562
   82   1HZ   LYS   7          1HZ       LYS   7   3.336  -0.459  -7.405
   83   2HZ   LYS   7          2HZ       LYS   7   4.223   0.981  -7.252
   84   3HZ   LYS   7          3HZ       LYS   7   2.867   0.921  -8.272
   85    H    ILE   8           H        ILE   8   1.694  -1.547  -0.649
   86    HA   ILE   8           HA       ILE   8  -0.781  -2.197  -2.094
   87    HB   ILE   8           HB       ILE   8   0.724  -3.688   0.073
   88   1HG1  ILE   8          2HG1      ILE   8   1.037  -4.100  -2.903
   89   2HG1  ILE   8          1HG1      ILE   8   2.047  -2.950  -2.027
   90   1HG2  ILE   8          1HG2      ILE   8  -0.363  -5.483  -1.753
   91   2HG2  ILE   8          2HG2      ILE   8  -1.617  -4.255  -1.585
   92   3HG2  ILE   8          3HG2      ILE   8  -1.021  -5.107  -0.160
   93   1HD1  ILE   8          1HD1      ILE   8   3.382  -4.767  -1.678
   94   2HD1  ILE   8          2HD1      ILE   8   2.069  -5.909  -1.958
   95   3HD1  ILE   8          3HD1      ILE   8   2.230  -5.120  -0.390
   96    H    LYS   9           H        LYS   9   0.263  -1.541   1.186
   97    HA   LYS   9           HA       LYS   9  -2.131  -2.076   2.586
   98   1HB   LYS   9          2HB       LYS   9  -1.141  -0.484   4.259
   99   2HB   LYS   9          1HB       LYS   9   0.006  -1.687   3.673
  100   1HG   LYS   9          2HG       LYS   9   1.196   0.360   3.571
  101   2HG   LYS   9          1HG       LYS   9   0.681   0.074   1.911
  102   1HD   LYS   9          2HD       LYS   9  -0.465   2.003   1.904
  103   2HD   LYS   9          1HD       LYS   9  -1.407   1.471   3.298
  104   1HE   LYS   9          2HE       LYS   9   1.318   2.262   4.039
  105   2HE   LYS   9          1HE       LYS   9   0.386   3.588   3.316
  106   1HZ   LYS   9          1HZ       LYS   9  -0.344   3.646   5.488
  107   2HZ   LYS   9          2HZ       LYS   9  -0.239   1.962   5.691
  108   3HZ   LYS   9          3HZ       LYS   9  -1.508   2.633   4.782
  109    H    PHE  10           H        PHE  10  -1.246   0.666   0.625
  110    HA   PHE  10           HA       PHE  10  -3.570   2.244   1.533
  111   1HB   PHE  10          2HB       PHE  10  -1.442   3.364   1.097
  112   2HB   PHE  10          1HB       PHE  10  -1.410   2.709  -0.542
  113    HD1  PHE  10           HD1      PHE  10  -2.420   3.895  -2.309
  114    HD2  PHE  10           HD2      PHE  10  -3.483   4.821   1.748
  115    HE1  PHE  10           HE1      PHE  10  -3.763   5.825  -3.101
  116    HE2  PHE  10           HE2      PHE  10  -4.823   6.750   0.958
  117    HZ   PHE  10           HZ       PHE  10  -4.964   7.252  -1.467
  118    H    LEU  11           H        LEU  11  -2.469   0.471  -1.270
  119    HA   LEU  11           HA       LEU  11  -4.771   1.124  -2.935
  120   1HB   LEU  11          2HB       LEU  11  -2.387  -0.684  -2.993
  121   2HB   LEU  11          1HB       LEU  11  -3.723  -1.060  -4.083
  122    HG   LEU  11           HG       LEU  11  -2.555   1.719  -3.901
  123   1HD1  LEU  11          1HD1      LEU  11  -0.955  -0.291  -4.580
  124   2HD1  LEU  11          2HD1      LEU  11  -0.932   1.224  -5.482
  125   3HD1  LEU  11          3HD1      LEU  11  -1.820  -0.163  -6.111
  126   1HD2  LEU  11          1HD2      LEU  11  -4.754   1.526  -4.954
  127   2HD2  LEU  11          2HD2      LEU  11  -4.174   0.217  -5.984
  128   3HD2  LEU  11          3HD2      LEU  11  -3.543   1.850  -6.195
  129    H    HIS  12           H        HIS  12  -4.389  -0.773  -0.211
  130    HA   HIS  12           HA       HIS  12  -6.419  -2.786  -1.015
  131   1HB   HIS  12          2HB       HIS  12  -4.192  -2.514   0.926
  132   2HB   HIS  12          1HB       HIS  12  -5.579  -3.446   1.475
  133    HD1  HIS  12           HD1      HIS  12  -3.783  -5.504   1.306
  134    HD2  HIS  12           HD2      HIS  12  -5.052  -3.842  -2.299
  135    HE1  HIS  12           HE1      HIS  12  -3.198  -7.181  -0.499
  136    H    SER  13           H        SER  13  -5.788  -0.132   1.142
  137    HA   SER  13           HA       SER  13  -8.273  -0.480   2.668
  138   1HB   SER  13          2HB       SER  13  -7.386   1.277   3.995
  139   2HB   SER  13          1HB       SER  13  -5.964   0.394   3.445
  140    HG   SER  13           HG       SER  13  -5.861   2.714   3.164
  141    H    ALA  14           H        ALA  14  -7.245   1.179  -0.167
  142    HA   ALA  14           HA       ALA  14  -9.354   3.214  -0.093
  143   1HB   ALA  14          1HB       ALA  14  -6.976   2.524  -1.635
  144   2HB   ALA  14          2HB       ALA  14  -7.719   4.104  -1.387
  145   3HB   ALA  14          3HB       ALA  14  -8.306   3.045  -2.669
  146    H    LYS  15           H        LYS  15  -8.739   0.173  -1.724
  147    HA   LYS  15           HA       LYS  15 -11.235   0.285  -3.273
  148   1HB   LYS  15          2HB       LYS  15  -8.751  -0.940  -3.481
  149   2HB   LYS  15          1HB       LYS  15  -9.817  -2.274  -3.039
  150   1HG   LYS  15          2HG       LYS  15 -10.427  -2.359  -5.208
  151   2HG   LYS  15          1HG       LYS  15 -11.277  -0.837  -4.934
  152   1HD   LYS  15          2HD       LYS  15  -9.894   0.050  -6.489
  153   2HD   LYS  15          1HD       LYS  15  -8.635  -0.043  -5.255
  154   1HE   LYS  15          2HE       LYS  15  -7.598  -1.286  -6.916
  155   2HE   LYS  15          1HE       LYS  15  -8.535  -2.590  -6.159
  156   1HZ   LYS  15          1HZ       LYS  15  -9.340  -0.923  -8.482
  157   2HZ   LYS  15          2HZ       LYS  15 -10.394  -1.974  -7.664
  158   3HZ   LYS  15          3HZ       LYS  15  -9.038  -2.592  -8.480
  159    H    LYS  16           H        LYS  16 -12.851  -1.507  -3.028
  160    HA   LYS  16           HA       LYS  16 -13.834  -1.754  -0.365
  161   1HB   LYS  16          2HB       LYS  16 -14.324  -3.495  -2.803
  162   2HB   LYS  16          1HB       LYS  16 -15.407  -3.316  -1.421
  163   1HG   LYS  16          2HG       LYS  16 -15.442  -0.818  -1.934
  164   2HG   LYS  16          1HG       LYS  16 -14.645  -1.213  -3.457
  165   1HD   LYS  16          2HD       LYS  16 -17.021  -2.855  -2.821
  166   2HD   LYS  16          1HD       LYS  16 -17.347  -1.152  -3.148
  167   1HE   LYS  16          2HE       LYS  16 -16.335  -1.272  -5.318
  168   2HE   LYS  16          1HE       LYS  16 -15.631  -2.865  -4.972
  169   1HZ   LYS  16          1HZ       LYS  16 -17.751  -3.849  -4.873
  170   2HZ   LYS  16          2HZ       LYS  16 -17.786  -2.875  -6.265
  171   3HZ   LYS  16          3HZ       LYS  16 -18.546  -2.352  -4.839
  172    H    PHE  17           H        PHE  17 -14.399  -4.710  -0.631
  173    HA   PHE  17           HA       PHE  17 -12.209  -5.665   1.007
  174   1HB   PHE  17          2HB       PHE  17 -14.597  -6.370   1.162
  175   2HB   PHE  17          1HB       PHE  17 -14.447  -7.144  -0.417
  176    HD1  PHE  17           HD1      PHE  17 -14.707  -9.444   0.147
  177    HD2  PHE  17           HD2      PHE  17 -11.873  -7.011   2.267
  178    HE1  PHE  17           HE1      PHE  17 -13.771 -11.472   1.225
  179    HE2  PHE  17           HE2      PHE  17 -10.937  -9.039   3.344
  180    HZ   PHE  17           HZ       PHE  17 -11.886 -11.269   2.822
  181   1HN   NH2  18          1HN       NH2  18 -10.205  -5.751  -0.189
  182   2HN   NH2  18          2HN       NH2  18  -9.993  -6.714  -1.570
  Start of MODEL   20
    1   1H    LYS   1          1H        LYS   1  16.839  -5.451  -3.724
    2   2H    LYS   1          2H        LYS   1  15.380  -6.230  -4.107
    3   3H    LYS   1          3H        LYS   1  15.829  -6.015  -2.483
    4    HA   LYS   1           HA       LYS   1  15.512  -3.669  -2.604
    5   1HB   LYS   1          2HB       LYS   1  15.705  -4.397  -5.481
    6   2HB   LYS   1          1HB       LYS   1  14.630  -3.053  -5.094
    7   1HG   LYS   1          2HG       LYS   1  16.359  -1.751  -4.207
    8   2HG   LYS   1          1HG       LYS   1  17.388  -3.150  -3.901
    9   1HD   LYS   1          2HD       LYS   1  17.344  -3.433  -6.501
   10   2HD   LYS   1          1HD       LYS   1  16.847  -1.740  -6.503
   11   1HE   LYS   1          2HE       LYS   1  19.414  -2.912  -5.389
   12   2HE   LYS   1          1HE       LYS   1  19.234  -1.674  -6.647
   13   1HZ   LYS   1          1HZ       LYS   1  17.818  -0.580  -4.690
   14   2HZ   LYS   1          2HZ       LYS   1  19.479  -0.287  -4.895
   15   3HZ   LYS   1          3HZ       LYS   1  18.950  -1.433  -3.757
   16    H    TRP   2           H        TRP   2  13.720  -4.389  -1.295
   17    HA   TRP   2           HA       TRP   2  11.138  -4.631  -2.801
   18   1HB   TRP   2          2HB       TRP   2  12.405  -6.696  -1.549
   19   2HB   TRP   2          1HB       TRP   2  11.431  -6.068  -0.221
   20    HD1  TRP   2           HD1      TRP   2   8.881  -5.155  -1.817
   21    HE1  TRP   2           HE1      TRP   2   7.304  -6.917  -2.846
   22    HE3  TRP   2           HE3      TRP   2  12.057  -9.149  -2.057
   23    HZ2  TRP   2           HZ2      TRP   2   7.379  -9.661  -3.659
   24    HZ3  TRP   2           HZ3      TRP   2  11.279 -11.323  -2.960
   25    HH2  TRP   2           HH2      TRP   2   8.946 -11.583  -3.760
   26    H    LYS   3           H        LYS   3  10.813  -2.337  -2.290
   27    HA   LYS   3           HA       LYS   3  10.166  -1.866   0.603
   28   1HB   LYS   3          2HB       LYS   3  12.160  -0.708  -0.990
   29   2HB   LYS   3          1HB       LYS   3  10.880   0.505  -0.935
   30   1HG   LYS   3          2HG       LYS   3  11.294   0.982   1.232
   31   2HG   LYS   3          1HG       LYS   3  11.330  -0.726   1.674
   32   1HD   LYS   3          2HD       LYS   3  13.656   0.120   0.087
   33   2HD   LYS   3          1HD       LYS   3  13.525   0.944   1.641
   34   1HE   LYS   3          2HE       LYS   3  12.919  -1.763   2.180
   35   2HE   LYS   3          1HE       LYS   3  14.345  -1.780   1.121
   36   1HZ   LYS   3          1HZ       LYS   3  14.023  -0.607   3.774
   37   2HZ   LYS   3          2HZ       LYS   3  14.957   0.271   2.661
   38   3HZ   LYS   3          3HZ       LYS   3  15.389  -1.321   3.068
   39    H    LEU   4           H        LEU   4   8.736  -2.356  -2.268
   40    HA   LEU   4           HA       LEU   4   6.938  -0.037  -2.360
   41   1HB   LEU   4          2HB       LEU   4   6.035  -1.189  -4.285
   42   2HB   LEU   4          1HB       LEU   4   7.790  -1.371  -4.332
   43    HG   LEU   4           HG       LEU   4   6.673  -3.464  -2.732
   44   1HD1  LEU   4          1HD1      LEU   4   4.872  -2.667  -4.709
   45   2HD1  LEU   4          2HD1      LEU   4   4.888  -4.228  -3.888
   46   3HD1  LEU   4          3HD1      LEU   4   5.722  -4.033  -5.430
   47   1HD2  LEU   4          1HD2      LEU   4   8.140  -3.327  -5.378
   48   2HD2  LEU   4          2HD2      LEU   4   7.743  -4.853  -4.586
   49   3HD2  LEU   4          3HD2      LEU   4   8.813  -3.698  -3.790
   50    H    PHE   5           H        PHE   5   7.128  -2.271  -0.096
   51    HA   PHE   5           HA       PHE   5   4.535  -3.517  -0.038
   52   1HB   PHE   5          2HB       PHE   5   6.870  -3.875   1.220
   53   2HB   PHE   5          1HB       PHE   5   6.070  -2.890   2.444
   54    HD1  PHE   5           HD1      PHE   5   5.116  -5.695   0.128
   55    HD2  PHE   5           HD2      PHE   5   4.983  -4.084   4.107
   56    HE1  PHE   5           HE1      PHE   5   3.836  -7.679   0.889
   57    HE2  PHE   5           HE2      PHE   5   3.702  -6.065   4.868
   58    HZ   PHE   5           HZ       PHE   5   3.127  -7.865   3.261
   59    H    LYS   6           H        LYS   6   5.713  -0.396   0.889
   60    HA   LYS   6           HA       LYS   6   3.586   0.311   2.719
   61   1HB   LYS   6          2HB       LYS   6   4.522   2.574   2.411
   62   2HB   LYS   6          1HB       LYS   6   5.818   1.391   2.601
   63   1HG   LYS   6          2HG       LYS   6   5.777   1.250   0.009
   64   2HG   LYS   6          1HG       LYS   6   4.888   2.770   0.087
   65   1HD   LYS   6          2HD       LYS   6   7.203   2.808   1.848
   66   2HD   LYS   6          1HD       LYS   6   7.669   2.474   0.181
   67   1HE   LYS   6          2HE       LYS   6   6.333   4.463  -0.553
   68   2HE   LYS   6          1HE       LYS   6   6.021   4.833   1.156
   69   1HZ   LYS   6          1HZ       LYS   6   8.392   4.881   1.560
   70   2HZ   LYS   6          2HZ       LYS   6   8.001   5.989   0.333
   71   3HZ   LYS   6          3HZ       LYS   6   8.714   4.497  -0.060
   72    H    LYS   7           H        LYS   7   3.549  -0.232  -0.596
   73    HA   LYS   7           HA       LYS   7   1.283   1.678  -1.013
   74   1HB   LYS   7          2HB       LYS   7   3.606   1.080  -2.484
   75   2HB   LYS   7          1HB       LYS   7   2.288   0.329  -3.383
   76   1HG   LYS   7          2HG       LYS   7   1.295   2.840  -2.604
   77   2HG   LYS   7          1HG       LYS   7   2.951   3.146  -3.124
   78   1HD   LYS   7          2HD       LYS   7   2.350   1.657  -5.171
   79   2HD   LYS   7          1HD       LYS   7   0.676   1.950  -4.699
   80   1HE   LYS   7          2HE       LYS   7   0.736   4.124  -5.409
   81   2HE   LYS   7          1HE       LYS   7   2.376   4.377  -4.779
   82   1HZ   LYS   7          1HZ       LYS   7   2.136   2.462  -6.946
   83   2HZ   LYS   7          2HZ       LYS   7   3.323   3.645  -6.670
   84   3HZ   LYS   7          3HZ       LYS   7   1.839   4.075  -7.377
   85    H    ILE   8           H        ILE   8   1.950  -1.543  -0.349
   86    HA   ILE   8           HA       ILE   8  -0.151  -2.764  -1.979
   87    HB   ILE   8           HB       ILE   8   1.310  -3.810   0.458
   88   1HG1  ILE   8          2HG1      ILE   8   2.939  -2.999  -1.184
   89   2HG1  ILE   8          1HG1      ILE   8   2.928  -4.762  -1.179
   90   1HG2  ILE   8          1HG2      ILE   8   0.671  -5.638  -1.744
   91   2HG2  ILE   8          2HG2      ILE   8  -0.762  -4.914  -1.011
   92   3HG2  ILE   8          3HG2      ILE   8   0.379  -5.818  -0.015
   93   1HD1  ILE   8          1HD1      ILE   8   0.943  -3.868  -3.035
   94   2HD1  ILE   8          2HD1      ILE   8   2.419  -4.773  -3.368
   95   3HD1  ILE   8          3HD1      ILE   8   2.445  -3.010  -3.380
   96    H    LYS   9           H        LYS   9   0.320  -2.073   1.443
   97    HA   LYS   9           HA       LYS   9  -2.274  -2.844   2.343
   98   1HB   LYS   9          2HB       LYS   9  -0.996  -2.519   4.199
   99   2HB   LYS   9          1HB       LYS   9   0.145  -1.533   3.296
  100   1HG   LYS   9          2HG       LYS   9  -2.505  -0.461   4.294
  101   2HG   LYS   9          1HG       LYS   9  -1.018  -0.366   5.239
  102   1HD   LYS   9          2HD       LYS   9  -0.295   0.544   2.689
  103   2HD   LYS   9          1HD       LYS   9  -1.871   1.270   2.996
  104   1HE   LYS   9          2HE       LYS   9  -1.113   2.318   5.013
  105   2HE   LYS   9          1HE       LYS   9   0.374   1.350   5.036
  106   1HZ   LYS   9          1HZ       LYS   9   0.007   2.699   2.544
  107   2HZ   LYS   9          2HZ       LYS   9   1.347   2.711   3.587
  108   3HZ   LYS   9          3HZ       LYS   9   0.065   3.796   3.835
  109    H    PHE  10           H        PHE  10  -1.045  -0.017   0.788
  110    HA   PHE  10           HA       PHE  10  -3.293   1.743   1.347
  111   1HB   PHE  10          2HB       PHE  10  -0.696   1.882   0.315
  112   2HB   PHE  10          1HB       PHE  10  -1.728   2.278  -1.058
  113    HD1  PHE  10           HD1      PHE  10  -1.337   4.616  -1.256
  114    HD2  PHE  10           HD2      PHE  10  -2.472   2.941   2.532
  115    HE1  PHE  10           HE1      PHE  10  -1.665   6.899  -0.344
  116    HE2  PHE  10           HE2      PHE  10  -2.801   5.220   3.445
  117    HZ   PHE  10           HZ       PHE  10  -2.397   7.201   2.007
  118    H    LEU  11           H        LEU  11  -2.588  -0.761  -0.894
  119    HA   LEU  11           HA       LEU  11  -4.594   0.054  -2.894
  120   1HB   LEU  11          2HB       LEU  11  -2.668  -2.226  -2.473
  121   2HB   LEU  11          1HB       LEU  11  -3.894  -2.316  -3.738
  122    HG   LEU  11           HG       LEU  11  -2.162   0.130  -3.499
  123   1HD1  LEU  11          1HD1      LEU  11  -0.535  -0.879  -5.020
  124   2HD1  LEU  11          2HD1      LEU  11  -1.449  -2.389  -5.034
  125   3HD1  LEU  11          3HD1      LEU  11  -0.652  -1.853  -3.555
  126   1HD2  LEU  11          1HD2      LEU  11  -4.292  -0.391  -5.053
  127   2HD2  LEU  11          2HD2      LEU  11  -3.041  -1.108  -6.068
  128   3HD2  LEU  11          3HD2      LEU  11  -2.943   0.594  -5.617
  129    H    HIS  12           H        HIS  12  -4.858  -1.203   0.132
  130    HA   HIS  12           HA       HIS  12  -7.121  -3.012  -0.576
  131   1HB   HIS  12          2HB       HIS  12  -4.987  -2.926   1.441
  132   2HB   HIS  12          1HB       HIS  12  -6.575  -3.275   2.123
  133    HD1  HIS  12           HD1      HIS  12  -6.915  -5.739   2.250
  134    HD2  HIS  12           HD2      HIS  12  -4.805  -4.665  -1.184
  135    HE1  HIS  12           HE1      HIS  12  -6.505  -7.881   0.962
  136    H    SER  13           H        SER  13  -6.156  -0.150   1.140
  137    HA   SER  13           HA       SER  13  -8.789   0.257   2.386
  138   1HB   SER  13          2HB       SER  13  -7.607   1.705   3.697
  139   2HB   SER  13          1HB       SER  13  -6.188   0.973   2.954
  140    HG   SER  13           HG       SER  13  -6.829   3.455   2.837
  141    H    ALA  14           H        ALA  14  -7.121   1.099  -0.506
  142    HA   ALA  14           HA       ALA  14  -8.271   3.504  -1.335
  143   1HB   ALA  14          1HB       ALA  14  -6.676   2.531  -2.754
  144   2HB   ALA  14          2HB       ALA  14  -8.174   2.260  -3.649
  145   3HB   ALA  14          3HB       ALA  14  -7.465   0.954  -2.698
  146    H    LYS  15           H        LYS  15  -9.547   0.307  -2.102
  147    HA   LYS  15           HA       LYS  15 -12.127   1.265  -2.982
  148   1HB   LYS  15          2HB       LYS  15 -10.621  -1.065  -3.066
  149   2HB   LYS  15          1HB       LYS  15 -11.957  -1.497  -1.998
  150   1HG   LYS  15          2HG       LYS  15 -13.358  -1.643  -3.751
  151   2HG   LYS  15          1HG       LYS  15 -12.977   0.013  -4.226
  152   1HD   LYS  15          2HD       LYS  15 -10.743  -1.135  -5.116
  153   2HD   LYS  15          1HD       LYS  15 -11.786  -2.556  -5.186
  154   1HE   LYS  15          2HE       LYS  15 -13.332  -1.458  -6.670
  155   2HE   LYS  15          1HE       LYS  15 -12.542   0.112  -6.422
  156   1HZ   LYS  15          1HZ       LYS  15 -11.903  -1.525  -8.420
  157   2HZ   LYS  15          2HZ       LYS  15 -10.818  -2.081  -7.238
  158   3HZ   LYS  15          3HZ       LYS  15 -10.796  -0.450  -7.715
  159    H    LYS  16           H        LYS  16 -13.602  -0.847  -1.407
  160    HA   LYS  16           HA       LYS  16 -14.851   0.667   0.570
  161   1HB   LYS  16          2HB       LYS  16 -14.579  -2.114  -0.220
  162   2HB   LYS  16          1HB       LYS  16 -14.745  -1.980   1.532
  163   1HG   LYS  16          2HG       LYS  16 -16.689  -0.336   0.996
  164   2HG   LYS  16          1HG       LYS  16 -16.644  -1.052  -0.616
  165   1HD   LYS  16          2HD       LYS  16 -17.998  -2.655   0.232
  166   2HD   LYS  16          1HD       LYS  16 -16.551  -3.268   1.035
  167   1HE   LYS  16          2HE       LYS  16 -17.178  -1.424   2.850
  168   2HE   LYS  16          1HE       LYS  16 -18.803  -1.653   2.175
  169   1HZ   LYS  16          1HZ       LYS  16 -18.418  -3.269   3.908
  170   2HZ   LYS  16          2HZ       LYS  16 -16.987  -3.793   3.156
  171   3HZ   LYS  16          3HZ       LYS  16 -18.490  -4.061   2.410
  172    H    PHE  17           H        PHE  17 -14.686   0.096   3.048
  173    HA   PHE  17           HA       PHE  17 -12.124   0.969   4.021
  174   1HB   PHE  17          2HB       PHE  17 -14.588   1.069   4.951
  175   2HB   PHE  17          1HB       PHE  17 -14.170  -0.482   5.676
  176    HD1  PHE  17           HD1      PHE  17 -11.510  -0.352   6.590
  177    HD2  PHE  17           HD2      PHE  17 -14.388   2.835   6.444
  178    HE1  PHE  17           HE1      PHE  17 -10.292   0.833   8.397
  179    HE2  PHE  17           HE2      PHE  17 -13.169   4.019   8.251
  180    HZ   PHE  17           HZ       PHE  17 -11.120   3.017   9.227
  181   1HN   NH2  18          1HN       NH2  18 -13.744  -2.259   4.238
  182   2HN   NH2  18          2HN       NH2  18 -12.314  -3.132   4.504