*HEADER    MEMBRANE PROTEIN                        28-OCT-99   1D9J              
*TITLE     SOLUTION STRUCTURE OF CECROPIN A(1-8)-MAGAININ 2(1-12)                
*TITLE    2 HYBRID PEPTIDE                                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CECROPIN A(1-8)-MAGAININ 2(1-12) HYBRID PEPTIDE;           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: XENOPUS LAEVIS + HYALOPHORA CECROPIA;           
*SOURCE   3 ORGANISM_COMMON: AFRICAN CLAWED FROG + CECROPIA MOTH;                
*SOURCE   4 CELLULAR_LOCATION: MEMBRANE                                          
*KEYWDS    HELIX-HINGE-HELIX                                                     
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    D.OH, Y.KIM                                                           
*REVDAT   1   11-NOV-99 1D9J    0

!  
assign (resid    3 and  name HN   )(resid    4 and  name HN   ) 3.0 1.2 0.3 
assign (resid    4 and  name HN   )(resid    5 and  name HN   ) 4.0 2.2 1.0 
assign (resid    6 and  name HN   )(resid    5 and  name HN   ) 3.0 1.2 0.3 
assign (resid    7 and  name HN   )(resid    6 and  name HN   ) 4.0 2.2 1.0 
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   ) 2.5 0.7 0.2 
assign (resid   11 and  name HN   )(resid   10 and  name HN   ) 2.5 0.7 0.2 
assign (resid   11 and  name HN   )(resid   12 and  name HN   ) 3.0 1.2 0.3 
assign (resid   12 and  name HN   )(resid   13 and  name HN   ) 3.0 1.2 0.3 
assign (resid   14 and  name HN   )(resid   13 and  name HN   ) 2.5 0.7 0.2 
assign (resid   15 and  name HN   )(resid   16 and  name HN   ) 3.0 1.2 0.3 
assign (resid   17 and  name HN   )(resid   16 and  name HN   ) 3.0 1.2 0.3 
assign (resid   17 and  name HN   )(resid   18 and  name HN   ) 2.5 0.7 0.2 
assign (resid   18 and  name HN   )(resid   19 and  name HN   ) 3.0 1.2 0.3 
assign (resid   20 and  name HN   )(resid   19 and  name HN   ) 3.0 1.2 0.3 
!  
assign (resid    3 and  name HN   )(resid    2 and  name HA   ) 2.5 0.7 0.2 
assign (resid    4 and  name HN   )(resid    3 and  name HA   ) 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   11 and  name HN   )(resid   10 and  name HA   ) 3.0 1.2 0.3 
assign (resid   12 and  name HN   )(resid   11 and  name HA1  ) 2.5 0.7 0.2 
assign (resid   12 and  name HN   )(resid   11 and  name HA2  ) 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   18 and  name HN   )(resid   17 and  name HA   ) 3.0 1.2 0.3 
assign (resid   19 and  name HN   )(resid   18 and  name HA   ) 3.0 1.2 0.3 
assign (resid   20 and  name HN   )(resid   19 and  name HA   ) 3.0 1.2 0.3 
! 
assign (resid    3 and  name HN   )(resid    2 and  name HB#  ) 3.0 1.2 1.3 
assign (resid    3 and  name HN   )(resid    2 and  name HD1  ) 4.0 2.2 1.0 
assign (resid    3 and  name HN   )(resid    2 and  name HE3  ) 4.0 2.2 1.0 
assign (resid    4 and  name HN   )(resid    3 and  name HB#  ) 3.0 1.2 1.3  
assign (resid    5 and  name HN   )(resid    4 and  name HB#  ) 3.0 1.2 1.3 
assign (resid    5 and  name HN   )(resid    4 and  name HG   ) 3.0 1.2 0.3 
assign (resid    5 and  name HN   )(resid    4 and  name HD2# ) 4.0 2.2 2.5 
assign (resid    5 and  name HN   )(resid    4 and  name HD1# ) 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    5 and  name HD#  )(resid    4 and  name HD1# ) 3.0 1.2 3.8  
assign (resid    5 and  name HD#  )(resid    4 and  name HG   ) 3.0 1.2 2.3  
assign (resid    5 and  name HD#  )(resid    4 and  name HB#  ) 3.0 1.2 3.3 
assign (resid    6 and  name HN   )(resid    5 and  name HB1  ) 3.0 1.2 0.3 
assign (resid    6 and  name HN   )(resid    5 and  name HB2  ) 3.0 1.2 0.3 
assign (resid    6 and  name HN   )(resid    5 and  name HD#  ) 4.0 2.2 3.0 
assign (resid    8 and  name HN   )(resid    7 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    9 and  name HA   )(resid    8 and  name HG2# ) 4.0 2.2 2.5 
assign (resid    9 and  name HN   )(resid   10 and  name HG2# ) 3.0 1.2 1.8  
assign (resid   11 and  name HN   )(resid   10 and  name HB   ) 3.0 1.2 0.3 
assign (resid   11 and  name HN   )(resid   10 and  name HG2# ) 3.0 1.2 1.8 
assign (resid   13 and  name HN   )(resid   12 and  name HB#  ) 3.0 1.2 1.3  
assign (resid   13 and  name HN   )(resid   12 and  name HG#  ) 4.0 2.2 2.0 
assign (resid   13 and  name HD#  )(resid   14 and  name HD1# ) 2.5 0.7 3.7 
assign (resid   14 and  name HN   )(resid   13 and  name HD#  ) 4.0 2.2 3.0 
assign (resid   14 and  name HN   )(resid   13 and  name HB1  ) 3.0 1.2 0.3 
assign (resid   14 and  name HN   )(resid   13 and  name HB2  ) 3.0 1.2 0.3 
assign (resid   16 and  name HN   )(resid   15 and  name HB#  ) 3.0 1.2 1.3 
assign (resid   17 and  name HN   )(resid   16 and  name HB1  ) 2.5 0.7 0.2 
assign (resid   18 and  name HN   )(resid   17 and  name HB#  ) 2.5 0.7 1.7 
assign (resid   19 and  name HN   )(resid   18 and  name HB#  ) 3.0 1.2 1.3 
assign (resid   20 and  name HN   )(resid   19 and  name HB#  ) 3.0 1.2 1.3 
assign (resid   20 and  name HN   )(resid   19 and  name HG#  ) 3.0 1.2 1.3 
assign (resid   20 and  name HD#  )(resid   19 and  name HA   ) 3.0 1.2 2.3 
assign (resid   20 and  name HD#  )(resid   19 and  name HB#  ) 3.0 1.2 3.3 
assign (resid   20 and  name HD#  )(resid   19 and  name HG#  ) 3.0 1.2 3.3 
! 
assign (resid    6 and  name HN   )(resid    8 and  name HN   ) 4.0 2.2 1.0 
assign (resid   12 and  name HN   )(resid   10 and  name HG2# ) 4.0 2.2 2.5 
assign (resid   18 and  name HN   )(resid   16 and  name HA   ) 4.0 2.2 1.0 
! 
assign (resid    5 and  name HD#  )(resid    8 and  name HG12 ) 3.0 1.2 2.3 
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   ) 3.0 1.2 0.3 
assign (resid   13 and  name HN   )(resid   10 and  name HA   ) 3.0 1.2 0.3 
assign (resid   13 and  name HD#  )(resid   10 and  name HG2# ) 3.0 1.2 3.7 
assign (resid   13 and  name HD#  )(resid   10 and  name HB   ) 3.0 1.2 2.3 
assign (resid   14 and  name HN   )(resid   11 and  name HA1  ) 4.0 2.2 1.0 
assign (resid   17 and  name HN   )(resid   14 and  name HB#  ) 4.0 2.2 1.0 
assign (resid   17 and  name HN   )(resid   14 and  name HD1# ) 3.0 1.2 1.8 
assign (resid   19 and  name HN   )(resid   16 and  name HA   ) 4.0 2.2 1.0 
assign (resid   20 and  name HD#  )(resid   17 and  name HB#  ) 3.0 1.2 3.8 
! 
assign (resid    4 and  name HA   )(resid    7 and  name HB#  ) 4.0 2.2 2.0 
assign (resid    5 and  name HA   )(resid    8 and  name HB#  ) 4.0 2.2 2.0 
assign (resid   10 and  name HA   )(resid   13 and  name HB1  ) 3.0 1.2 0.3 
assign (resid   10 and  name HA   )(resid   13 and  name HB2  ) 3.0 1.2 0.3 
assign (resid   11 and  name HA1  )(resid   14 and  name HB#  ) 4.0 2.2 2.0 
assign (resid   11 and  name HA2  )(resid   14 and  name HB#  ) 4.0 2.2 2.0 
assign (resid   12 and  name HA   )(resid   15 and  name HB#  ) 3.0 1.2 1.3 
assign (resid   13 and  name HA   )(resid   16 and  name HB1  ) 4.0 2.2 1.0 
assign (resid   13 and  name HA   )(resid   16 and  name HB2  ) 4.0 2.2 1.0 
assign (resid   14 and  name HA   )(resid   17 and  name HB#  ) 3.0 1.2 1.3 
assign (resid   15 and  name HA   )(resid   18 and  name HB#  ) 4.0 2.2 2.0 
assign (resid   16 and  name HA   )(resid   19 and  name HB#  ) 3.0 1.2 1.3 
assign (resid   17 and  name HA   )(resid   20 and  name HB1  ) 4.0 2.2 1.0 
assign (resid   17 and  name HA   )(resid   20 and  name HB2  ) 4.0 2.2 1.0 
! 
assign (resid   15 and  name HN   )(resid   12 and  name HA   ) 4.0 2.2 1.0 
assign (resid   16 and  name HN   )(resid   13 and  name HA   ) 4.0 2.2 1.0 
assign (resid   18 and  name HN   )(resid   15 and  name HA   ) 4.0 2.2 1.0 
assign (resid   15 and  name HD2  )(resid   12 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    2 and  name HE3  )(resid    2 and  name HB#  ) 2.5 0.7 1.2 
assign (resid    3 and  name HN   )(resid    3 and  name HB#  ) 2.5 0.7 1.2 
assign (resid    3 and  name HN   )(resid    3 and  name HG#  ) 3.0 1.2 1.3 
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   ) 4.0 2.2 1.0 
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    5 and  name HN   )(resid    5 and  name HB1  ) 3.0 1.2 0.3 
assign (resid    5 and  name HN   )(resid    5 and  name HB2  ) 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 HD#  )(resid    5 and  name HB1  ) 3.0 1.2 2.3 
assign (resid    5 and  name HD#  )(resid    5 and  name HB2  ) 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#  ) 4.0 2.2 2.0 
assign (resid    7 and  name HN   )(resid    7 and  name HB#  ) 3.0 1.2 1.3 
assign (resid    7 and  name HN   )(resid    7 and  name HG#  ) 4.0 2.2 2.0 
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   10 and  name HN   )(resid   10 and  name HB   ) 3.0 1.2 0.3 
assign (resid   10 and  name HN   )(resid   10 and  name HG12 ) 4.0 2.2 1.0 
assign (resid   10 and  name HN   )(resid   10 and  name HG11 ) 4.0 2.2 1.0 
assign (resid   10 and  name HN   )(resid   10 and  name HG2# ) 3.0 1.2 1.8 
assign (resid   12 and  name HN   )(resid   12 and  name HB#  ) 3.0 1.2 1.3 
assign (resid   12 and  name HN   )(resid   12 and  name HG#  ) 4.0 2.2 2.0 
assign (resid   12 and  name HN   )(resid   12 and  name HD#  ) 4.0 2.2 2.0 
assign (resid   13 and  name HN   )(resid   13 and  name HB1  ) 3.0 1.2 0.3 
assign (resid   13 and  name HN   )(resid   13 and  name HB2  ) 3.0 1.2 0.3 
assign (resid   13 and  name HN   )(resid   13 and  name HD#  ) 3.0 1.2 2.3 
assign (resid   13 and  name HD#  )(resid   13 and  name HA   ) 3.0 1.2 2.3 
assign (resid   13 and  name HD#  )(resid   13 and  name HB1  ) 3.0 1.2 2.3 
assign (resid   13 and  name HD#  )(resid   13 and  name HB2  ) 3.0 1.2 2.3 
assign (resid   14 and  name HN   )(resid   14 and  name HB#  ) 3.0 1.2 1.3 
assign (resid   14 and  name HN   )(resid   14 and  name HG   ) 4.0 2.2 1.0 
assign (resid   14 and  name HN   )(resid   14 and  name HD1# ) 4.0 2.2 2.5 
assign (resid   14 and  name HN   )(resid   14 and  name HD2# ) 4.0 2.2 2.5 
assign (resid   15 and  name HN   )(resid   15 and  name HB#  ) 2.5 0.7 1.2 
assign (resid   15 and  name HD2  )(resid   15 and  name HB#  ) 3.0 1.2 1.3 
assign (resid   16 and  name HN   )(resid   16 and  name HB1  ) 3.0 1.2 0.3 
assign (resid   16 and  name HN   )(resid   16 and  name HB2  ) 3.0 1.2 0.3 
assign (resid   17 and  name HN   )(resid   17 and  name HB#  ) 2.5 0.7 1.7 
assign (resid   18 and  name HN   )(resid   18 and  name HB#  ) 2.5 0.7 1.2 
assign (resid   18 and  name HN   )(resid   18 and  name HG#  ) 3.0 1.2 1.3 
assign (resid   19 and  name HN   )(resid   19 and  name HB#  ) 2.5 0.7 1.2 
assign (resid   19 and  name HN   )(resid   19 and  name HG#  ) 3.0 1.2 1.3 
assign (resid   20 and  name HN   )(resid   20 and  name HB1  ) 4.0 2.2 1.0 
assign (resid   20 and  name HN   )(resid   20 and  name HB2  ) 3.0 1.2 0.3 
assign (resid   20 and  name HD#  )(resid   20 and  name HA   ) 3.0 1.2 2.3 
assign (resid   20 and  name HD#  )(resid   20 and  name HB1  ) 2.5 0.7 2.2 
assign (resid   20 and  name HD#  )(resid   20 and  name HB2  ) 2.5 0.7 2.2 
!
assign (resid    5 and  name N    )(resid    2 and  name O    ) 3.3 0.8 0.2
assign (resid    6 and  name N    )(resid    3 and  name O    ) 3.3 0.8 0.2
assign (resid    8 and  name N    )(resid    5 and  name O    ) 3.3 0.8 0.2
assign (resid   16 and  name N    )(resid   13 and  name O    ) 3.3 0.8 0.2
assign (resid   18 and  name N    )(resid   15 and  name O    ) 3.3 0.8 0.2
assign (resid   20 and  name N    )(resid   17 and  name O    ) 3.3 0.8 0.2
assign (resid    5 and  name HN   )(resid    2 and  name O    ) 2.3 0.8 0.2
assign (resid    6 and  name HN   )(resid    3 and  name O    ) 2.3 0.8 0.2
assign (resid    8 and  name HN   )(resid    5 and  name O    ) 2.3 0.8 0.2
assign (resid   16 and  name HN   )(resid   13 and  name O    ) 2.3 0.8 0.2
assign (resid   18 and  name HN   )(resid   15 and  name O    ) 2.3 0.8 0.2
assign (resid   20 and  name HN   )(resid   17 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 -60.0 25.0 2
  !!    4
 assign (resid   3 and name c )   (resid   4 and name n ) 
        (resid   4 and name ca)   (resid   4 and name c )  1.0 -60.0 25.0 2
  !!    5
 assign (resid   4 and name c )   (resid   5 and name n ) 
        (resid   5 and name ca)   (resid   5 and name c )  1.0 -60.0 25.0 2
  !!    6
 assign (resid   5 and name c )   (resid   6 and name n ) 
        (resid   6 and name ca)   (resid   6 and name c )  1.0 -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 -60.0 25.0 2
  !!    13 
 assign (resid   12 and name c )   (resid   13 and name n ) 
        (resid   13 and name ca)   (resid   13 and name c )  1.0 -60.0 25.0 2
  !!    14 
 assign (resid   13 and name c )   (resid   14 and name n ) 
        (resid   14 and name ca)   (resid   14 and name c )  1.0 -105.0 60.0 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 -105.0 60.0 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
  !!    18 
 assign (resid   17 and name c )   (resid   18 and name n ) 
        (resid   18 and name ca)   (resid   18 and name c )  1.0 -60.0 25.0 2
  !!    19 
 assign (resid   18 and name c )   (resid   19 and name n ) 
        (resid   19 and name ca)   (resid   19 and name c )  1.0 -60.0 25.0 2
  !!    20 
 assign (resid   19 and name c )   (resid   20 and name n ) 
        (resid   20 and name ca)   (resid   20 and name c )  1.0 -105.0 60.0 2

HEADER    MEMBRANE PROTEIN                        28-OCT-99   1D9J              
TITLE     SOLUTION STRUCTURE OF CECROPIN A(1-8)-MAGAININ 2(1-12)                
TITLE    2 HYBRID PEPTIDE                                                       
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: CECROPIN A(1-8)-MAGAININ 2(1-12) HYBRID PEPTIDE;           
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: XENOPUS LAEVIS + HYALOPHORA CECROPIA;           
SOURCE   3 ORGANISM_COMMON: AFRICAN CLAWED FROG + CECROPIA MOTH;                
SOURCE   4 CELLULAR_LOCATION: MEMBRANE                                          
KEYWDS    HELIX-HINGE-HELIX                                                     
EXPDTA    NMR, 20 STRUCTURES                                                    
AUTHOR    D.OH, Y.KIM                                                           
REVDAT   1   11-NOV-99 1D9J    0                                                

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    LYS   1          1H        LYS   1 -14.694  -3.445  -0.830
    2   2H    LYS   1          2H        LYS   1 -15.926  -3.900  -1.908
    3   3H    LYS   1          3H        LYS   1 -16.294  -2.963  -0.540
    4    HA   LYS   1           HA       LYS   1 -14.509  -2.027  -2.727
    5   1HB   LYS   1          2HB       LYS   1 -17.480  -2.039  -2.304
    6   2HB   LYS   1          1HB       LYS   1 -16.747  -0.660  -3.125
    7   1HG   LYS   1          2HG       LYS   1 -15.689  -2.191  -4.751
    8   2HG   LYS   1          1HG       LYS   1 -16.431  -3.567  -3.935
    9   1HD   LYS   1          2HD       LYS   1 -18.477  -3.165  -4.845
   10   2HD   LYS   1          1HD       LYS   1 -18.314  -1.417  -4.676
   11   1HE   LYS   1          2HE       LYS   1 -18.365  -2.232  -7.083
   12   2HE   LYS   1          1HE       LYS   1 -16.909  -1.304  -6.669
   13   1HZ   LYS   1          1HZ       LYS   1 -15.641  -3.209  -6.465
   14   2HZ   LYS   1          2HZ       LYS   1 -16.631  -3.596  -7.789
   15   3HZ   LYS   1          3HZ       LYS   1 -16.985  -4.221  -6.249
   16    H    TRP   2           H        TRP   2 -13.213  -1.190  -0.869
   17    HA   TRP   2           HA       TRP   2 -14.416   1.318   0.229
   18   1HB   TRP   2          2HB       TRP   2 -14.404  -0.815   1.749
   19   2HB   TRP   2          1HB       TRP   2 -12.675  -0.493   1.890
   20    HD1  TRP   2           HD1      TRP   2 -12.147   0.883   3.946
   21    HE1  TRP   2           HE1      TRP   2 -13.298   2.790   5.246
   22    HE3  TRP   2           HE3      TRP   2 -16.409   1.381   1.181
   23    HZ2  TRP   2           HZ2      TRP   2 -15.716   4.326   5.124
   24    HZ3  TRP   2           HZ3      TRP   2 -18.116   3.068   1.790
   25    HH2  TRP   2           HH2      TRP   2 -17.776   4.541   3.755
   26    H    LYS   3           H        LYS   3 -12.412   2.431   1.534
   27    HA   LYS   3           HA       LYS   3 -10.409   3.024  -0.497
   28   1HB   LYS   3          2HB       LYS   3 -10.936   3.831   2.369
   29   2HB   LYS   3          1HB       LYS   3  -9.541   4.440   1.476
   30   1HG   LYS   3          2HG       LYS   3 -11.808   4.703  -0.224
   31   2HG   LYS   3          1HG       LYS   3 -12.260   5.345   1.357
   32   1HD   LYS   3          2HD       LYS   3  -9.586   6.195   0.731
   33   2HD   LYS   3          1HD       LYS   3 -10.651   6.595  -0.618
   34   1HE   LYS   3          2HE       LYS   3 -12.143   7.833   0.814
   35   2HE   LYS   3          1HE       LYS   3 -11.319   7.245   2.271
   36   1HZ   LYS   3          1HZ       LYS   3  -9.744   8.781   2.047
   37   2HZ   LYS   3          2HZ       LYS   3 -10.672   9.498   0.818
   38   3HZ   LYS   3          3HZ       LYS   3  -9.467   8.367   0.426
   39    H    LEU   4           H        LEU   4 -10.709   0.507   1.669
   40    HA   LEU   4           HA       LEU   4  -7.993   0.271   2.638
   41   1HB   LEU   4          2HB       LEU   4  -9.563  -0.894   3.901
   42   2HB   LEU   4          1HB       LEU   4 -10.490  -1.371   2.480
   43    HG   LEU   4           HG       LEU   4  -8.733  -2.975   1.855
   44   1HD1  LEU   4          1HD1      LEU   4  -6.765  -3.293   3.134
   45   2HD1  LEU   4          2HD1      LEU   4  -7.397  -2.365   4.494
   46   3HD1  LEU   4          3HD1      LEU   4  -6.922  -1.541   3.008
   47   1HD2  LEU   4          1HD2      LEU   4 -10.605  -3.361   3.713
   48   2HD2  LEU   4          2HD2      LEU   4  -9.196  -3.535   4.761
   49   3HD2  LEU   4          3HD2      LEU   4  -9.397  -4.601   3.370
   50    H    PHE   5           H        PHE   5  -9.648  -0.586  -0.272
   51    HA   PHE   5           HA       PHE   5  -7.947  -2.620  -1.280
   52   1HB   PHE   5          2HB       PHE   5  -9.924  -0.647  -2.264
   53   2HB   PHE   5          1HB       PHE   5  -8.854  -1.341  -3.476
   54    HD1  PHE   5           HD1      PHE   5  -8.811  -3.793  -3.872
   55    HD2  PHE   5           HD2      PHE   5 -11.560  -1.989  -1.112
   56    HE1  PHE   5           HE1      PHE   5 -10.155  -5.878  -3.847
   57    HE2  PHE   5           HE2      PHE   5 -12.906  -4.071  -1.087
   58    HZ   PHE   5           HZ       PHE   5 -12.203  -6.016  -2.455
   59    H    LYS   6           H        LYS   6  -7.672   0.845  -1.216
   60    HA   LYS   6           HA       LYS   6  -5.419   1.007  -3.065
   61   1HB   LYS   6          2HB       LYS   6  -7.215   2.732  -1.589
   62   2HB   LYS   6          1HB       LYS   6  -5.552   3.284  -1.390
   63   1HG   LYS   6          2HG       LYS   6  -5.263   3.681  -3.664
   64   2HG   LYS   6          1HG       LYS   6  -6.511   2.523  -4.128
   65   1HD   LYS   6          2HD       LYS   6  -7.842   4.443  -2.566
   66   2HD   LYS   6          1HD       LYS   6  -6.762   5.368  -3.610
   67   1HE   LYS   6          2HE       LYS   6  -7.827   3.421  -5.313
   68   2HE   LYS   6          1HE       LYS   6  -9.202   3.934  -4.315
   69   1HZ   LYS   6          1HZ       LYS   6  -7.304   5.750  -5.707
   70   2HZ   LYS   6          2HZ       LYS   6  -8.608   6.239  -4.734
   71   3HZ   LYS   6          3HZ       LYS   6  -8.894   5.430  -6.200
   72    H    LYS   7           H        LYS   7  -5.661  -0.238   0.003
   73    HA   LYS   7           HA       LYS   7  -2.788   0.381   0.589
   74   1HB   LYS   7          2HB       LYS   7  -4.440   1.659   1.992
   75   2HB   LYS   7          1HB       LYS   7  -5.069   0.119   2.577
   76   1HG   LYS   7          2HG       LYS   7  -2.343  -0.154   2.956
   77   2HG   LYS   7          1HG       LYS   7  -2.622   1.545   3.339
   78   1HD   LYS   7          2HD       LYS   7  -4.703  -0.141   4.470
   79   2HD   LYS   7          1HD       LYS   7  -3.106  -0.639   5.026
   80   1HE   LYS   7          2HE       LYS   7  -2.660   1.443   6.025
   81   2HE   LYS   7          1HE       LYS   7  -3.863   2.283   5.027
   82   1HZ   LYS   7          1HZ       LYS   7  -4.959   0.099   6.545
   83   2HZ   LYS   7          2HZ       LYS   7  -5.516   1.696   6.392
   84   3HZ   LYS   7          3HZ       LYS   7  -4.310   1.319   7.527
   85    H    ILE   8           H        ILE   8  -4.836  -1.975  -0.338
   86    HA   ILE   8           HA       ILE   8  -4.598  -4.159   1.417
   87    HB   ILE   8           HB       ILE   8  -4.569  -3.907  -1.603
   88   1HG1  ILE   8          2HG1      ILE   8  -6.568  -3.168  -0.183
   89   2HG1  ILE   8          1HG1      ILE   8  -6.909  -4.351  -1.446
   90   1HG2  ILE   8          1HG2      ILE   8  -5.314  -6.354  -1.506
   91   2HG2  ILE   8          2HG2      ILE   8  -4.704  -6.369   0.149
   92   3HG2  ILE   8          3HG2      ILE   8  -3.605  -6.050  -1.193
   93   1HD1  ILE   8          1HD1      ILE   8  -6.268  -5.174   1.391
   94   2HD1  ILE   8          2HD1      ILE   8  -7.009  -6.144   0.117
   95   3HD1  ILE   8          3HD1      ILE   8  -7.916  -4.829   0.864
   96    H    GLY   9           H        GLY   9  -2.214  -2.696  -0.696
   97   1HA   GLY   9          2HA       GLY   9  -0.048  -4.109   0.636
   98   2HA   GLY   9          1HA       GLY   9  -0.293  -4.664  -1.021
   99    H    ILE  10           H        ILE  10  -0.492  -1.420   0.464
  100    HA   ILE  10           HA       ILE  10   1.546  -0.511  -1.524
  101    HB   ILE  10           HB       ILE  10  -1.058   0.024  -1.626
  102   1HG1  ILE  10          2HG1      ILE  10   0.258   2.479  -2.303
  103   2HG1  ILE  10          1HG1      ILE  10   1.324   1.129  -2.692
  104   1HG2  ILE  10          1HG2      ILE  10  -1.066   1.088   0.628
  105   2HG2  ILE  10          2HG2      ILE  10  -1.572   2.197  -0.645
  106   3HG2  ILE  10          3HG2      ILE  10   0.056   2.306   0.024
  107   1HD1  ILE  10          1HD1      ILE  10  -0.504   0.042  -3.945
  108   2HD1  ILE  10          2HD1      ILE  10  -0.163   1.647  -4.592
  109   3HD1  ILE  10          3HD1      ILE  10  -1.570   1.394  -3.558
  110    H    GLY  11           H        GLY  11   0.079   0.005   1.606
  111   1HA   GLY  11          2HA       GLY  11   1.742   2.051   2.614
  112   2HA   GLY  11          1HA       GLY  11   0.994   0.824   3.622
  113    H    LYS  12           H        LYS  12   2.101  -1.375   3.370
  114    HA   LYS  12           HA       LYS  12   4.874  -1.119   4.168
  115   1HB   LYS  12          2HB       LYS  12   3.331  -3.594   3.327
  116   2HB   LYS  12          1HB       LYS  12   4.702  -3.521   4.435
  117   1HG   LYS  12          2HG       LYS  12   3.279  -2.016   5.913
  118   2HG   LYS  12          1HG       LYS  12   1.912  -2.434   4.882
  119   1HD   LYS  12          2HD       LYS  12   1.894  -4.657   5.569
  120   2HD   LYS  12          1HD       LYS  12   3.599  -4.636   6.023
  121   1HE   LYS  12          2HE       LYS  12   3.020  -3.090   7.922
  122   2HE   LYS  12          1HE       LYS  12   1.307  -3.317   7.517
  123   1HZ   LYS  12          1HZ       LYS  12   2.643  -4.948   9.148
  124   2HZ   LYS  12          2HZ       LYS  12   2.912  -5.734   7.666
  125   3HZ   LYS  12          3HZ       LYS  12   1.326  -5.450   8.206
  126    H    PHE  13           H        PHE  13   3.365  -1.077   1.180
  127    HA   PHE  13           HA       PHE  13   5.212  -2.564  -0.464
  128   1HB   PHE  13          2HB       PHE  13   2.768  -1.687  -0.787
  129   2HB   PHE  13          1HB       PHE  13   3.555  -0.201  -1.300
  130    HD1  PHE  13           HD1      PHE  13   3.046  -0.153  -3.607
  131    HD2  PHE  13           HD2      PHE  13   4.752  -3.685  -1.857
  132    HE1  PHE  13           HE1      PHE  13   3.393  -1.109  -5.871
  133    HE2  PHE  13           HE2      PHE  13   5.104  -4.640  -4.120
  134    HZ   PHE  13           HZ       PHE  13   4.421  -3.351  -6.128
  135    H    LEU  14           H        LEU  14   4.732   0.851   0.202
  136    HA   LEU  14           HA       LEU  14   6.919   1.872  -1.315
  137   1HB   LEU  14          2HB       LEU  14   4.822   2.846   0.147
  138   2HB   LEU  14          1HB       LEU  14   6.181   3.254   1.192
  139    HG   LEU  14           HG       LEU  14   7.252   4.515  -0.549
  140   1HD1  LEU  14          1HD1      LEU  14   7.007   3.453  -2.578
  141   2HD1  LEU  14          2HD1      LEU  14   5.750   4.676  -2.768
  142   3HD1  LEU  14          3HD1      LEU  14   5.320   3.037  -2.276
  143   1HD2  LEU  14          1HD2      LEU  14   5.649   5.899   0.470
  144   2HD2  LEU  14          2HD2      LEU  14   4.298   4.991  -0.210
  145   3HD2  LEU  14          3HD2      LEU  14   5.254   6.054  -1.243
  146    H    HIS  15           H        HIS  15   6.898   0.081   1.586
  147    HA   HIS  15           HA       HIS  15   9.165   1.123   2.953
  148   1HB   HIS  15          2HB       HIS  15   7.398  -1.100   3.060
  149   2HB   HIS  15          1HB       HIS  15   9.038  -1.745   3.107
  150    HD1  HIS  15           HD1      HIS  15  10.219   0.856   4.576
  151    HD2  HIS  15           HD2      HIS  15   6.981  -1.437   5.856
  152    HE1  HIS  15           HE1      HIS  15  10.007   1.248   7.068
  153    H    SER  16           H        SER  16   8.854  -0.918   0.161
  154    HA   SER  16           HA       SER  16  11.659  -1.710   0.035
  155   1HB   SER  16          2HB       SER  16   9.601  -2.920  -0.883
  156   2HB   SER  16          1HB       SER  16   9.569  -1.693  -2.147
  157    HG   SER  16           HG       SER  16  11.692  -3.482  -1.529
  158    H    ALA  17           H        ALA  17   9.692   0.894  -1.107
  159    HA   ALA  17           HA       ALA  17  11.201   1.906  -3.262
  160   1HB   ALA  17          1HB       ALA  17   9.001   2.624  -1.733
  161   2HB   ALA  17          2HB       ALA  17   9.654   3.563  -3.074
  162   3HB   ALA  17          3HB       ALA  17  10.145   3.928  -1.420
  163    H    LYS  18           H        LYS  18  12.042   1.698   0.059
  164    HA   LYS  18           HA       LYS  18  13.899   3.932   0.134
  165   1HB   LYS  18          2HB       LYS  18  12.651   2.592   2.011
  166   2HB   LYS  18          1HB       LYS  18  14.047   1.517   1.905
  167   1HG   LYS  18          2HG       LYS  18  15.487   3.631   2.111
  168   2HG   LYS  18          1HG       LYS  18  14.008   4.457   2.599
  169   1HD   LYS  18          2HD       LYS  18  13.785   2.434   4.275
  170   2HD   LYS  18          1HD       LYS  18  15.526   2.296   4.021
  171   1HE   LYS  18          2HE       LYS  18  15.849   4.632   4.704
  172   2HE   LYS  18          1HE       LYS  18  14.095   4.833   4.895
  173   1HZ   LYS  18          1HZ       LYS  18  15.578   2.665   6.256
  174   2HZ   LYS  18          2HZ       LYS  18  14.027   3.263   6.607
  175   3HZ   LYS  18          3HZ       LYS  18  15.401   4.195   6.964
  176    H    LYS  19           H        LYS  19  14.137   0.538  -0.669
  177    HA   LYS  19           HA       LYS  19  17.039   0.420  -0.682
  178   1HB   LYS  19          2HB       LYS  19  15.723  -1.587  -0.403
  179   2HB   LYS  19          1HB       LYS  19  14.818  -1.261  -1.881
  180   1HG   LYS  19          2HG       LYS  19  16.348  -2.392  -3.078
  181   2HG   LYS  19          1HG       LYS  19  17.605  -1.284  -2.531
  182   1HD   LYS  19          2HD       LYS  19  18.500  -3.065  -1.470
  183   2HD   LYS  19          1HD       LYS  19  17.184  -2.878  -0.310
  184   1HE   LYS  19          2HE       LYS  19  15.978  -4.651  -1.186
  185   2HE   LYS  19          1HE       LYS  19  16.619  -4.410  -2.824
  186   1HZ   LYS  19          1HZ       LYS  19  17.921  -6.146  -2.212
  187   2HZ   LYS  19          2HZ       LYS  19  17.809  -5.805  -0.551
  188   3HZ   LYS  19          3HZ       LYS  19  18.864  -4.908  -1.538
  189    H    PHE  20           H        PHE  20  14.719   1.787  -2.743
  190    HA   PHE  20           HA       PHE  20  16.614   1.804  -5.063
  191   1HB   PHE  20          2HB       PHE  20  13.641   2.388  -5.042
  192   2HB   PHE  20          1HB       PHE  20  14.646   1.962  -6.427
  193    HD1  PHE  20           HD1      PHE  20  16.215  -0.292  -5.539
  194    HD2  PHE  20           HD2      PHE  20  12.113   0.643  -4.673
  195    HE1  PHE  20           HE1      PHE  20  15.751  -2.695  -5.144
  196    HE2  PHE  20           HE2      PHE  20  11.649  -1.762  -4.278
  197    HZ   PHE  20           HZ       PHE  20  13.468  -3.431  -4.514
  198   1HN   NH2  21          1HN       NH2  21  17.741   3.716  -3.958
  199   2HN   NH2  21          2HN       NH2  21  17.031   5.254  -4.063
  Start of MODEL    2
    1   1H    LYS   1          1H        LYS   1 -16.139   1.561   3.703
    2   2H    LYS   1          2H        LYS   1 -17.201   1.884   4.990
    3   3H    LYS   1          3H        LYS   1 -16.075   0.616   5.110
    4    HA   LYS   1           HA       LYS   1 -15.451   3.525   5.017
    5   1HB   LYS   1          2HB       LYS   1 -16.349   1.879   7.049
    6   2HB   LYS   1          1HB       LYS   1 -14.598   1.809   7.246
    7   1HG   LYS   1          2HG       LYS   1 -14.807   3.773   8.351
    8   2HG   LYS   1          1HG       LYS   1 -15.055   4.496   6.761
    9   1HD   LYS   1          2HD       LYS   1 -17.312   3.319   8.397
   10   2HD   LYS   1          1HD       LYS   1 -16.855   5.020   8.481
   11   1HE   LYS   1          2HE       LYS   1 -17.065   4.921   5.854
   12   2HE   LYS   1          1HE       LYS   1 -18.085   3.509   6.192
   13   1HZ   LYS   1          1HZ       LYS   1 -18.403   6.267   7.238
   14   2HZ   LYS   1          2HZ       LYS   1 -19.210   4.931   7.909
   15   3HZ   LYS   1          3HZ       LYS   1 -19.504   5.383   6.297
   16    H    TRP   2           H        TRP   2 -14.120   0.241   5.523
   17    HA   TRP   2           HA       TRP   2 -11.859  -0.486   5.350
   18   1HB   TRP   2          2HB       TRP   2 -11.205  -0.263   2.922
   19   2HB   TRP   2          1HB       TRP   2 -12.835  -0.888   3.180
   20    HD1  TRP   2           HD1      TRP   2 -14.874   0.692   2.619
   21    HE1  TRP   2           HE1      TRP   2 -15.075   2.818   1.176
   22    HE3  TRP   2           HE3      TRP   2  -9.934   1.907   2.142
   23    HZ2  TRP   2           HZ2      TRP   2 -13.372   4.773  -0.020
   24    HZ3  TRP   2           HZ3      TRP   2  -9.255   3.909   0.844
   25    HH2  TRP   2           HH2      TRP   2 -10.965   5.340  -0.236
   26    H    LYS   3           H        LYS   3 -12.033   2.108   6.535
   27    HA   LYS   3           HA       LYS   3 -10.101   3.913   5.358
   28   1HB   LYS   3          2HB       LYS   3 -11.767   3.642   7.768
   29   2HB   LYS   3          1HB       LYS   3 -10.261   4.519   8.038
   30   1HG   LYS   3          2HG       LYS   3 -11.269   5.468   5.580
   31   2HG   LYS   3          1HG       LYS   3 -12.650   5.407   6.676
   32   1HD   LYS   3          2HD       LYS   3  -9.993   6.738   7.280
   33   2HD   LYS   3          1HD       LYS   3 -11.477   7.579   6.830
   34   1HE   LYS   3          2HE       LYS   3 -12.546   6.341   8.856
   35   2HE   LYS   3          1HE       LYS   3 -10.870   6.076   9.377
   36   1HZ   LYS   3          1HZ       LYS   3 -10.545   8.254   9.756
   37   2HZ   LYS   3          2HZ       LYS   3 -12.239   8.336   9.847
   38   3HZ   LYS   3          3HZ       LYS   3 -11.445   8.741   8.402
   39    H    LEU   4           H        LEU   4  -9.936   1.179   7.465
   40    HA   LEU   4           HA       LEU   4  -7.260   1.688   8.498
   41   1HB   LEU   4          2HB       LEU   4  -7.542  -0.619   9.356
   42   2HB   LEU   4          1HB       LEU   4  -8.983   0.352   9.662
   43    HG   LEU   4           HG       LEU   4  -9.666  -0.628   7.258
   44   1HD1  LEU   4          1HD1      LEU   4  -8.721  -3.200   8.023
   45   2HD1  LEU   4          2HD1      LEU   4  -7.329  -2.117   8.002
   46   3HD1  LEU   4          3HD1      LEU   4  -8.328  -2.295   6.560
   47   1HD2  LEU   4          1HD2      LEU   4 -11.288  -1.356   8.645
   48   2HD2  LEU   4          2HD2      LEU   4 -10.190  -1.275  10.022
   49   3HD2  LEU   4          3HD2      LEU   4 -10.269  -2.741   9.043
   50    H    PHE   5           H        PHE   5  -8.493   0.565   5.546
   51    HA   PHE   5           HA       PHE   5  -6.271  -1.231   4.875
   52   1HB   PHE   5          2HB       PHE   5  -8.893  -0.445   3.920
   53   2HB   PHE   5          1HB       PHE   5  -7.726  -0.504   2.598
   54    HD1  PHE   5           HD1      PHE   5  -6.209  -2.606   2.463
   55    HD2  PHE   5           HD2      PHE   5  -9.838  -2.428   4.754
   56    HE1  PHE   5           HE1      PHE   5  -6.314  -5.084   2.482
   57    HE2  PHE   5           HE2      PHE   5  -9.946  -4.907   4.773
   58    HZ   PHE   5           HZ       PHE   5  -8.185  -6.235   3.637
   59    H    LYS   6           H        LYS   6  -6.929   2.110   4.694
   60    HA   LYS   6           HA       LYS   6  -5.517   2.930   2.385
   61   1HB   LYS   6          2HB       LYS   6  -5.550   5.092   3.424
   62   2HB   LYS   6          1HB       LYS   6  -7.001   4.256   3.978
   63   1HG   LYS   6          2HG       LYS   6  -6.321   4.632   6.091
   64   2HG   LYS   6          1HG       LYS   6  -4.983   3.520   5.794
   65   1HD   LYS   6          2HD       LYS   6  -3.496   5.257   5.241
   66   2HD   LYS   6          1HD       LYS   6  -4.803   6.399   4.921
   67   1HE   LYS   6          2HE       LYS   6  -5.037   5.475   7.638
   68   2HE   LYS   6          1HE       LYS   6  -3.386   6.065   7.361
   69   1HZ   LYS   6          1HZ       LYS   6  -4.117   8.129   6.758
   70   2HZ   LYS   6          2HZ       LYS   6  -5.326   7.729   7.884
   71   3HZ   LYS   6          3HZ       LYS   6  -5.626   7.574   6.218
   72    H    LYS   7           H        LYS   7  -4.213   1.377   5.120
   73    HA   LYS   7           HA       LYS   7  -1.489   1.807   4.121
   74   1HB   LYS   7          2HB       LYS   7  -2.582   3.636   5.926
   75   2HB   LYS   7          1HB       LYS   7  -1.602   2.572   6.938
   76   1HG   LYS   7          2HG       LYS   7   0.370   3.199   5.930
   77   2HG   LYS   7          1HG       LYS   7  -0.398   3.487   4.369
   78   1HD   LYS   7          2HD       LYS   7  -1.572   5.377   6.050
   79   2HD   LYS   7          1HD       LYS   7   0.120   5.361   6.545
   80   1HE   LYS   7          2HE       LYS   7   0.086   5.262   3.693
   81   2HE   LYS   7          1HE       LYS   7  -1.011   6.563   4.200
   82   1HZ   LYS   7          1HZ       LYS   7   0.637   7.679   5.264
   83   2HZ   LYS   7          2HZ       LYS   7   1.599   6.910   4.095
   84   3HZ   LYS   7          3HZ       LYS   7   1.499   6.274   5.666
   85    H    ILE   8           H        ILE   8  -3.361  -0.466   4.797
   86    HA   ILE   8           HA       ILE   8  -2.122  -1.711   7.161
   87    HB   ILE   8           HB       ILE   8  -4.552  -1.889   5.695
   88   1HG1  ILE   8          2HG1      ILE   8  -5.247  -3.231   7.629
   89   2HG1  ILE   8          1HG1      ILE   8  -3.557  -3.497   8.067
   90   1HG2  ILE   8          1HG2      ILE   8  -3.635  -3.711   4.354
   91   2HG2  ILE   8          2HG2      ILE   8  -4.783  -4.375   5.514
   92   3HG2  ILE   8          3HG2      ILE   8  -3.050  -4.524   5.806
   93   1HD1  ILE   8          1HD1      ILE   8  -5.244  -1.252   8.701
   94   2HD1  ILE   8          2HD1      ILE   8  -3.873  -0.701   7.740
   95   3HD1  ILE   8          3HD1      ILE   8  -3.599  -1.582   9.245
   96    H    GLY   9           H        GLY   9  -2.346  -2.588   3.668
   97   1HA   GLY   9          2HA       GLY   9   0.191  -4.130   4.070
   98   2HA   GLY   9          1HA       GLY   9  -1.100  -4.690   3.009
   99    H    ILE  10           H        ILE  10  -1.037  -1.417   2.614
  100    HA   ILE  10           HA       ILE  10   0.589  -1.692   0.159
  101    HB   ILE  10           HB       ILE  10  -0.477   0.676  -0.141
  102   1HG1  ILE  10          2HG1      ILE  10  -2.440  -0.524   1.814
  103   2HG1  ILE  10          1HG1      ILE  10  -1.269   0.714   2.273
  104   1HG2  ILE  10          1HG2      ILE  10  -1.847  -0.415  -1.567
  105   2HG2  ILE  10          2HG2      ILE  10  -2.670  -1.247  -0.248
  106   3HG2  ILE  10          3HG2      ILE  10  -1.167  -1.898  -0.899
  107   1HD1  ILE  10          1HD1      ILE  10  -3.489   0.940   0.226
  108   2HD1  ILE  10          2HD1      ILE  10  -2.196   2.131   0.378
  109   3HD1  ILE  10          3HD1      ILE  10  -3.309   1.860   1.721
  110    H    GLY  11           H        GLY  11   0.371   0.213   3.092
  111   1HA   GLY  11          2HA       GLY  11   2.364   2.136   2.617
  112   2HA   GLY  11          1HA       GLY  11   2.044   1.457   4.211
  113    H    LYS  12           H        LYS  12   2.664  -1.165   3.733
  114    HA   LYS  12           HA       LYS  12   5.536  -1.208   3.976
  115   1HB   LYS  12          2HB       LYS  12   4.375  -2.886   5.141
  116   2HB   LYS  12          1HB       LYS  12   3.268  -3.174   3.801
  117   1HG   LYS  12          2HG       LYS  12   4.968  -4.326   2.541
  118   2HG   LYS  12          1HG       LYS  12   6.218  -3.857   3.694
  119   1HD   LYS  12          2HD       LYS  12   5.811  -5.793   4.777
  120   2HD   LYS  12          1HD       LYS  12   4.254  -5.112   5.249
  121   1HE   LYS  12          2HE       LYS  12   3.858  -7.256   4.143
  122   2HE   LYS  12          1HE       LYS  12   3.310  -5.965   3.057
  123   1HZ   LYS  12          1HZ       LYS  12   5.073  -7.849   2.346
  124   2HZ   LYS  12          2HZ       LYS  12   6.125  -6.624   2.877
  125   3HZ   LYS  12          3HZ       LYS  12   5.004  -6.308   1.641
  126    H    PHE  13           H        PHE  13   3.364  -1.319   1.333
  127    HA   PHE  13           HA       PHE  13   4.913  -2.797  -0.569
  128   1HB   PHE  13          2HB       PHE  13   2.421  -1.699  -0.416
  129   2HB   PHE  13          1HB       PHE  13   3.217  -0.563  -1.504
  130    HD1  PHE  13           HD1      PHE  13   1.030  -2.984  -1.832
  131    HD2  PHE  13           HD2      PHE  13   5.142  -2.331  -2.886
  132    HE1  PHE  13           HE1      PHE  13   0.815  -4.617  -3.688
  133    HE2  PHE  13           HE2      PHE  13   4.927  -3.963  -4.744
  134    HZ   PHE  13           HZ       PHE  13   2.764  -5.105  -5.144
  135    H    LEU  14           H        LEU  14   4.630   0.658   0.082
  136    HA   LEU  14           HA       LEU  14   6.678   1.357  -1.865
  137   1HB   LEU  14          2HB       LEU  14   4.603   2.641  -0.612
  138   2HB   LEU  14          1HB       LEU  14   5.990   3.275   0.273
  139    HG   LEU  14           HG       LEU  14   7.032   4.039  -1.772
  140   1HD1  LEU  14          1HD1      LEU  14   5.092   3.614  -3.769
  141   2HD1  LEU  14          2HD1      LEU  14   5.265   2.065  -2.942
  142   3HD1  LEU  14          3HD1      LEU  14   6.676   2.850  -3.651
  143   1HD2  LEU  14          1HD2      LEU  14   5.121   5.503  -2.700
  144   2HD2  LEU  14          2HD2      LEU  14   5.474   5.654  -0.979
  145   3HD2  LEU  14          3HD2      LEU  14   4.091   4.699  -1.515
  146    H    HIS  15           H        HIS  15   6.738   0.159   1.316
  147    HA   HIS  15           HA       HIS  15   8.987   1.469   2.451
  148   1HB   HIS  15          2HB       HIS  15   7.356  -0.846   2.900
  149   2HB   HIS  15          1HB       HIS  15   9.047  -1.323   3.067
  150    HD1  HIS  15           HD1      HIS  15   9.942   1.603   4.081
  151    HD2  HIS  15           HD2      HIS  15   6.944  -0.780   5.733
  152    HE1  HIS  15           HE1      HIS  15   9.646   2.381   6.473
  153    H    SER  16           H        SER  16   8.714  -0.681  -0.206
  154    HA   SER  16           HA       SER  16  11.447  -1.665  -0.224
  155   1HB   SER  16          2HB       SER  16   9.497  -2.769  -1.316
  156   2HB   SER  16          1HB       SER  16   9.366  -1.402  -2.415
  157    HG   SER  16           HG       SER  16  10.887  -2.273  -3.559
  158    H    ALA  17           H        ALA  17   9.744   1.095  -1.481
  159    HA   ALA  17           HA       ALA  17  11.548   2.070  -3.418
  160   1HB   ALA  17          1HB       ALA  17  10.544   4.305  -2.695
  161   2HB   ALA  17          2HB       ALA  17   9.732   3.416  -1.405
  162   3HB   ALA  17          3HB       ALA  17   9.373   3.047  -3.092
  163    H    LYS  18           H        LYS  18  11.786   2.020   0.044
  164    HA   LYS  18           HA       LYS  18  13.907   4.010   0.226
  165   1HB   LYS  18          2HB       LYS  18  13.801   3.526   2.536
  166   2HB   LYS  18          1HB       LYS  18  12.165   3.174   1.983
  167   1HG   LYS  18          2HG       LYS  18  12.560   1.211   3.111
  168   2HG   LYS  18          1HG       LYS  18  13.272   0.761   1.560
  169   1HD   LYS  18          2HD       LYS  18  15.486   1.566   2.386
  170   2HD   LYS  18          1HD       LYS  18  14.754   1.873   3.959
  171   1HE   LYS  18          2HE       LYS  18  14.153  -0.517   4.158
  172   2HE   LYS  18          1HE       LYS  18  14.901  -0.831   2.578
  173   1HZ   LYS  18          1HZ       LYS  18  16.313  -1.048   4.746
  174   2HZ   LYS  18          2HZ       LYS  18  16.421   0.642   4.614
  175   3HZ   LYS  18          3HZ       LYS  18  16.988  -0.349   3.357
  176    H    LYS  19           H        LYS  19  13.704   0.696  -0.576
  177    HA   LYS  19           HA       LYS  19  16.378  -0.137   0.160
  178   1HB   LYS  19          2HB       LYS  19  14.447  -1.648  -0.217
  179   2HB   LYS  19          1HB       LYS  19  14.411  -1.156  -1.910
  180   1HG   LYS  19          2HG       LYS  19  16.205  -2.436  -2.458
  181   2HG   LYS  19          1HG       LYS  19  17.042  -2.079  -0.946
  182   1HD   LYS  19          2HD       LYS  19  16.517  -4.374  -0.751
  183   2HD   LYS  19          1HD       LYS  19  15.232  -3.577   0.160
  184   1HE   LYS  19          2HE       LYS  19  13.848  -4.838  -1.168
  185   2HE   LYS  19          1HE       LYS  19  14.173  -3.579  -2.377
  186   1HZ   LYS  19          1HZ       LYS  19  14.690  -5.869  -3.157
  187   2HZ   LYS  19          2HZ       LYS  19  15.896  -5.964  -1.964
  188   3HZ   LYS  19          3HZ       LYS  19  16.018  -4.816  -3.209
  189    H    PHE  20           H        PHE  20  15.040   1.729  -2.361
  190    HA   PHE  20           HA       PHE  20  17.456   1.402  -4.087
  191   1HB   PHE  20          2HB       PHE  20  14.801   2.755  -4.649
  192   2HB   PHE  20          1HB       PHE  20  15.997   2.232  -5.830
  193    HD1  PHE  20           HD1      PHE  20  16.748  -0.387  -5.339
  194    HD2  PHE  20           HD2      PHE  20  12.921   1.389  -4.530
  195    HE1  PHE  20           HE1      PHE  20  15.687  -2.627  -5.440
  196    HE2  PHE  20           HE2      PHE  20  11.860  -0.850  -4.630
  197    HZ   PHE  20           HZ       PHE  20  13.243  -2.859  -5.088
  198   1HN   NH2  21          1HN       NH2  21  15.534   3.828  -2.301
  199   2HN   NH2  21          2HN       NH2  21  16.640   5.102  -2.489
  Start of MODEL    3
    1   1H    LYS   1          1H        LYS   1 -17.222  -8.878  -3.370
    2   2H    LYS   1          2H        LYS   1 -17.146  -8.342  -4.981
    3   3H    LYS   1          3H        LYS   1 -16.448  -7.415  -3.740
    4    HA   LYS   1           HA       LYS   1 -15.529 -10.116  -4.596
    5   1HB   LYS   1          2HB       LYS   1 -13.766  -8.903  -5.686
    6   2HB   LYS   1          1HB       LYS   1 -15.268  -8.102  -6.147
    7   1HG   LYS   1          2HG       LYS   1 -14.519  -6.865  -3.748
    8   2HG   LYS   1          1HG       LYS   1 -13.012  -7.044  -4.647
    9   1HD   LYS   1          2HD       LYS   1 -15.558  -5.845  -5.774
   10   2HD   LYS   1          1HD       LYS   1 -14.184  -4.911  -5.181
   11   1HE   LYS   1          2HE       LYS   1 -13.016  -5.252  -7.099
   12   2HE   LYS   1          1HE       LYS   1 -13.384  -6.988  -7.092
   13   1HZ   LYS   1          1HZ       LYS   1 -15.250  -6.700  -8.299
   14   2HZ   LYS   1          2HZ       LYS   1 -14.475  -5.281  -8.823
   15   3HZ   LYS   1          3HZ       LYS   1 -15.630  -5.212  -7.580
   16    H    TRP   2           H        TRP   2 -12.824  -9.053  -3.916
   17    HA   TRP   2           HA       TRP   2 -13.042  -8.897  -0.935
   18   1HB   TRP   2          2HB       TRP   2 -11.022 -10.454  -0.965
   19   2HB   TRP   2          1HB       TRP   2 -12.550 -11.179  -1.463
   20    HD1  TRP   2           HD1      TRP   2 -12.927 -11.584  -4.079
   21    HE1  TRP   2           HE1      TRP   2 -11.240 -11.926  -6.000
   22    HE3  TRP   2           HE3      TRP   2  -8.707  -9.771  -1.864
   23    HZ2  TRP   2           HZ2      TRP   2  -8.462 -11.483  -6.523
   24    HZ3  TRP   2           HZ3      TRP   2  -6.552  -9.739  -3.093
   25    HH2  TRP   2           HH2      TRP   2  -6.427 -10.590  -5.420
   26    H    LYS   3           H        LYS   3 -12.671  -6.738  -2.628
   27    HA   LYS   3           HA       LYS   3  -9.916  -6.037  -3.084
   28   1HB   LYS   3          2HB       LYS   3 -12.108  -5.091  -4.072
   29   2HB   LYS   3          1HB       LYS   3 -12.220  -4.144  -2.588
   30   1HG   LYS   3          2HG       LYS   3 -10.050  -3.117  -3.031
   31   2HG   LYS   3          1HG       LYS   3  -9.838  -4.125  -4.464
   32   1HD   LYS   3          2HD       LYS   3 -11.235  -2.847  -5.728
   33   2HD   LYS   3          1HD       LYS   3 -12.363  -2.590  -4.397
   34   1HE   LYS   3          2HE       LYS   3  -9.653  -1.260  -4.367
   35   2HE   LYS   3          1HE       LYS   3 -11.014  -0.530  -5.242
   36   1HZ   LYS   3          1HZ       LYS   3 -10.690  -0.997  -2.374
   37   2HZ   LYS   3          2HZ       LYS   3 -12.248  -1.201  -3.023
   38   3HZ   LYS   3          3HZ       LYS   3 -11.446   0.289  -3.182
   39    H    LEU   4           H        LEU   4 -11.936  -6.062  -0.309
   40    HA   LEU   4           HA       LEU   4 -10.857  -4.030   1.321
   41   1HB   LEU   4          2HB       LEU   4 -11.449  -5.780   3.171
   42   2HB   LEU   4          1HB       LEU   4 -12.744  -5.191   2.131
   43    HG   LEU   4           HG       LEU   4 -11.356  -7.483   0.966
   44   1HD1  LEU   4          1HD1      LEU   4 -11.899  -7.579   3.794
   45   2HD1  LEU   4          2HD1      LEU   4 -11.232  -8.840   2.758
   46   3HD1  LEU   4          3HD1      LEU   4 -12.979  -8.693   2.954
   47   1HD2  LEU   4          1HD2      LEU   4 -13.988  -8.163   1.353
   48   2HD2  LEU   4          2HD2      LEU   4 -13.394  -7.235  -0.025
   49   3HD2  LEU   4          3HD2      LEU   4 -14.074  -6.402   1.372
   50    H    PHE   5           H        PHE   5  -9.414  -6.943   0.204
   51    HA   PHE   5           HA       PHE   5  -7.376  -7.133   2.280
   52   1HB   PHE   5          2HB       PHE   5  -8.263  -8.528  -0.151
   53   2HB   PHE   5          1HB       PHE   5  -6.522  -8.601   0.119
   54    HD1  PHE   5           HD1      PHE   5  -9.388  -8.480   2.519
   55    HD2  PHE   5           HD2      PHE   5  -6.034 -10.709   1.031
   56    HE1  PHE   5           HE1      PHE   5  -9.731 -10.177   4.294
   57    HE2  PHE   5           HE2      PHE   5  -6.375 -12.409   2.804
   58    HZ   PHE   5           HZ       PHE   5  -8.224 -12.142   4.437
   59    H    LYS   6           H        LYS   6  -7.666  -5.671  -0.871
   60    HA   LYS   6           HA       LYS   6  -4.852  -5.115  -1.263
   61   1HB   LYS   6          2HB       LYS   6  -7.088  -5.090  -2.793
   62   2HB   LYS   6          1HB       LYS   6  -6.949  -3.366  -2.442
   63   1HG   LYS   6          2HG       LYS   6  -4.339  -4.337  -3.066
   64   2HG   LYS   6          1HG       LYS   6  -5.441  -4.907  -4.320
   65   1HD   LYS   6          2HD       LYS   6  -6.288  -2.602  -4.615
   66   2HD   LYS   6          1HD       LYS   6  -5.162  -2.039  -3.381
   67   1HE   LYS   6          2HE       LYS   6  -3.406  -3.322  -4.977
   68   2HE   LYS   6          1HE       LYS   6  -4.616  -2.864  -6.191
   69   1HZ   LYS   6          1HZ       LYS   6  -4.588  -0.603  -5.276
   70   2HZ   LYS   6          2HZ       LYS   6  -3.061  -1.057  -5.871
   71   3HZ   LYS   6          3HZ       LYS   6  -3.357  -1.052  -4.199
   72    H    LYS   7           H        LYS   7  -7.219  -3.850   0.795
   73    HA   LYS   7           HA       LYS   7  -5.781  -1.249   1.129
   74   1HB   LYS   7          2HB       LYS   7  -8.447  -1.892   0.784
   75   2HB   LYS   7          1HB       LYS   7  -8.328  -1.737   2.535
   76   1HG   LYS   7          2HG       LYS   7  -6.907   0.450   1.747
   77   2HG   LYS   7          1HG       LYS   7  -8.084   0.336   0.437
   78   1HD   LYS   7          2HD       LYS   7  -9.930   0.432   1.965
   79   2HD   LYS   7          1HD       LYS   7  -8.866   0.226   3.359
   80   1HE   LYS   7          2HE       LYS   7  -9.520   2.602   3.117
   81   2HE   LYS   7          1HE       LYS   7  -7.781   2.415   2.812
   82   1HZ   LYS   7          1HZ       LYS   7  -9.830   2.265   0.672
   83   2HZ   LYS   7          2HZ       LYS   7  -8.143   2.373   0.489
   84   3HZ   LYS   7          3HZ       LYS   7  -9.024   3.703   1.073
   85    H    ILE   8           H        ILE   8  -5.655  -4.285   2.346
   86    HA   ILE   8           HA       ILE   8  -5.767  -3.680   5.216
   87    HB   ILE   8           HB       ILE   8  -5.340  -6.026   3.409
   88   1HG1  ILE   8          2HG1      ILE   8  -7.555  -5.241   4.408
   89   2HG1  ILE   8          1HG1      ILE   8  -7.153  -6.936   4.681
   90   1HG2  ILE   8          1HG2      ILE   8  -4.967  -7.202   5.838
   91   2HG2  ILE   8          2HG2      ILE   8  -4.067  -5.704   6.067
   92   3HG2  ILE   8          3HG2      ILE   8  -3.648  -6.790   4.742
   93   1HD1  ILE   8          1HD1      ILE   8  -7.802  -5.069   6.646
   94   2HD1  ILE   8          2HD1      ILE   8  -6.048  -5.213   6.756
   95   3HD1  ILE   8          3HD1      ILE   8  -7.061  -6.646   6.917
   96    H    GLY   9           H        GLY   9  -3.314  -3.700   2.709
   97   1HA   GLY   9          2HA       GLY   9  -1.369  -2.651   4.607
   98   2HA   GLY   9          1HA       GLY   9  -0.973  -4.282   4.070
   99    H    ILE  10           H        ILE  10  -0.767  -0.967   3.292
  100    HA   ILE  10           HA       ILE  10   0.272  -1.652   0.584
  101    HB   ILE  10           HB       ILE  10  -0.540   0.851   0.254
  102   1HG1  ILE  10          2HG1      ILE  10  -2.355  -0.216   2.432
  103   2HG1  ILE  10          1HG1      ILE  10  -1.300   1.192   2.553
  104   1HG2  ILE  10          1HG2      ILE  10  -1.294  -1.320  -0.880
  105   2HG2  ILE  10          2HG2      ILE  10  -2.467  -0.004  -0.839
  106   3HG2  ILE  10          3HG2      ILE  10  -2.605  -1.344   0.300
  107   1HD1  ILE  10          1HD1      ILE  10  -3.574   1.941   2.092
  108   2HD1  ILE  10          2HD1      ILE  10  -3.673   0.875   0.691
  109   3HD1  ILE  10          3HD1      ILE  10  -2.567   2.250   0.678
  110    H    GLY  11           H        GLY  11   0.441   0.444   3.387
  111   1HA   GLY  11          2HA       GLY  11   2.520   2.164   2.682
  112   2HA   GLY  11          1HA       GLY  11   2.297   1.564   4.321
  113    H    LYS  12           H        LYS  12   2.722  -1.115   3.911
  114    HA   LYS  12           HA       LYS  12   5.595  -1.291   3.926
  115   1HB   LYS  12          2HB       LYS  12   5.172  -3.625   4.311
  116   2HB   LYS  12          1HB       LYS  12   3.853  -2.753   5.091
  117   1HG   LYS  12          2HG       LYS  12   2.667  -3.037   2.762
  118   2HG   LYS  12          1HG       LYS  12   3.819  -4.358   2.555
  119   1HD   LYS  12          2HD       LYS  12   2.855  -4.684   5.159
  120   2HD   LYS  12          1HD       LYS  12   1.430  -4.245   4.215
  121   1HE   LYS  12          2HE       LYS  12   3.369  -6.358   3.245
  122   2HE   LYS  12          1HE       LYS  12   1.998  -6.755   4.301
  123   1HZ   LYS  12          1HZ       LYS  12   1.085  -6.900   2.189
  124   2HZ   LYS  12          2HZ       LYS  12   1.966  -5.575   1.595
  125   3HZ   LYS  12          3HZ       LYS  12   0.665  -5.327   2.660
  126    H    PHE  13           H        PHE  13   3.354  -1.126   1.405
  127    HA   PHE  13           HA       PHE  13   4.662  -2.790  -0.567
  128   1HB   PHE  13          2HB       PHE  13   2.245  -1.899  -0.424
  129   2HB   PHE  13          1HB       PHE  13   2.898  -0.391  -1.043
  130    HD1  PHE  13           HD1      PHE  13   3.896  -3.891  -1.863
  131    HD2  PHE  13           HD2      PHE  13   2.082  -0.255  -3.254
  132    HE1  PHE  13           HE1      PHE  13   3.844  -4.803  -4.170
  133    HE2  PHE  13           HE2      PHE  13   2.027  -1.165  -5.561
  134    HZ   PHE  13           HZ       PHE  13   2.909  -3.440  -6.019
  135    H    LEU  14           H        LEU  14   4.422   0.693  -0.151
  136    HA   LEU  14           HA       LEU  14   6.532   1.267  -2.074
  137   1HB   LEU  14          2HB       LEU  14   4.766   2.745  -0.167
  138   2HB   LEU  14          1HB       LEU  14   6.202   3.577  -0.764
  139    HG   LEU  14           HG       LEU  14   4.352   4.075  -2.253
  140   1HD1  LEU  14          1HD1      LEU  14   5.609   2.093  -4.004
  141   2HD1  LEU  14          2HD1      LEU  14   6.783   2.996  -3.048
  142   3HD1  LEU  14          3HD1      LEU  14   5.650   3.854  -4.091
  143   1HD2  LEU  14          1HD2      LEU  14   3.092   2.322  -3.384
  144   2HD2  LEU  14          2HD2      LEU  14   3.007   2.049  -1.645
  145   3HD2  LEU  14          3HD2      LEU  14   4.091   1.075  -2.637
  146    H    HIS  15           H        HIS  15   6.543   0.207   1.132
  147    HA   HIS  15           HA       HIS  15   8.751   1.641   2.248
  148   1HB   HIS  15          2HB       HIS  15   7.475  -1.058   2.667
  149   2HB   HIS  15          1HB       HIS  15   8.894  -0.585   3.601
  150    HD1  HIS  15           HD1      HIS  15   6.883   2.327   2.789
  151    HD2  HIS  15           HD2      HIS  15   6.836  -0.571   5.784
  152    HE1  HIS  15           HE1      HIS  15   5.465   3.261   4.668
  153    H    SER  16           H        SER  16   8.593  -0.590  -0.307
  154    HA   SER  16           HA       SER  16  11.247  -1.751  -0.027
  155   1HB   SER  16          2HB       SER  16   9.495  -2.927  -1.214
  156   2HB   SER  16          1HB       SER  16   9.210  -1.533  -2.255
  157    HG   SER  16           HG       SER  16  10.567  -3.326  -3.095
  158    H    ALA  17           H        ALA  17   9.833   1.045  -1.523
  159    HA   ALA  17           HA       ALA  17  11.896   1.784  -3.336
  160   1HB   ALA  17          1HB       ALA  17  10.275   3.731  -1.698
  161   2HB   ALA  17          2HB       ALA  17   9.504   2.714  -2.916
  162   3HB   ALA  17          3HB       ALA  17  10.759   3.860  -3.390
  163    H    LYS  18           H        LYS  18  11.908   1.675   0.075
  164    HA   LYS  18           HA       LYS  18  13.766   3.829   0.587
  165   1HB   LYS  18          2HB       LYS  18  12.286   2.852   2.291
  166   2HB   LYS  18          1HB       LYS  18  13.087   1.291   2.106
  167   1HG   LYS  18          2HG       LYS  18  15.260   2.720   2.616
  168   2HG   LYS  18          1HG       LYS  18  14.096   3.801   3.384
  169   1HD   LYS  18          2HD       LYS  18  14.559   2.400   5.167
  170   2HD   LYS  18          1HD       LYS  18  13.210   1.526   4.440
  171   1HE   LYS  18          2HE       LYS  18  15.049  -0.044   4.880
  172   2HE   LYS  18          1HE       LYS  18  14.878   0.166   3.126
  173   1HZ   LYS  18          1HZ       LYS  18  16.888   1.076   3.017
  174   2HZ   LYS  18          2HZ       LYS  18  17.127   0.702   4.657
  175   3HZ   LYS  18          3HZ       LYS  18  16.504   2.218   4.210
  176    H    LYS  19           H        LYS  19  14.042   0.711  -0.755
  177    HA   LYS  19           HA       LYS  19  16.837   0.234  -0.053
  178   1HB   LYS  19          2HB       LYS  19  15.574  -1.702  -0.443
  179   2HB   LYS  19          1HB       LYS  19  14.694  -0.971  -1.783
  180   1HG   LYS  19          2HG       LYS  19  16.194  -2.569  -2.746
  181   2HG   LYS  19          1HG       LYS  19  16.886  -0.983  -3.076
  182   1HD   LYS  19          2HD       LYS  19  18.780  -1.865  -2.178
  183   2HD   LYS  19          1HD       LYS  19  17.988  -1.556  -0.633
  184   1HE   LYS  19          2HE       LYS  19  17.149  -4.085  -1.893
  185   2HE   LYS  19          1HE       LYS  19  18.865  -4.035  -1.447
  186   1HZ   LYS  19          1HZ       LYS  19  18.396  -3.781   0.735
  187   2HZ   LYS  19          2HZ       LYS  19  16.947  -4.560   0.309
  188   3HZ   LYS  19          3HZ       LYS  19  16.994  -2.868   0.453
  189    H    PHE  20           H        PHE  20  15.232   2.282  -2.188
  190    HA   PHE  20           HA       PHE  20  17.642   2.499  -3.961
  191   1HB   PHE  20          2HB       PHE  20  14.711   3.036  -4.550
  192   2HB   PHE  20          1HB       PHE  20  16.034   3.159  -5.711
  193    HD1  PHE  20           HD1      PHE  20  13.413   1.189  -5.209
  194    HD2  PHE  20           HD2      PHE  20  17.693   0.839  -5.082
  195    HE1  PHE  20           HE1      PHE  20  13.228  -1.241  -5.674
  196    HE2  PHE  20           HE2      PHE  20  17.508  -1.589  -5.550
  197    HZ   PHE  20           HZ       PHE  20  15.275  -2.631  -5.843
  198   1HN   NH2  21          1HN       NH2  21  16.293   3.999  -1.387
  199   2HN   NH2  21          2HN       NH2  21  16.544   5.628  -1.792
  Start of MODEL    4
    1   1H    LYS   1          1H        LYS   1 -11.014   3.746  10.813
    2   2H    LYS   1          2H        LYS   1  -9.720   3.447   9.753
    3   3H    LYS   1          3H        LYS   1  -9.446   3.547  11.426
    4    HA   LYS   1           HA       LYS   1 -11.379   1.578  11.099
    5   1HB   LYS   1          2HB       LYS   1  -9.217   1.691   9.001
    6   2HB   LYS   1          1HB       LYS   1  -9.847   0.130   9.527
    7   1HG   LYS   1          2HG       LYS   1 -12.141   1.649   9.144
    8   2HG   LYS   1          1HG       LYS   1 -11.092   2.154   7.820
    9   1HD   LYS   1          2HD       LYS   1 -10.666  -0.355   7.423
   10   2HD   LYS   1          1HD       LYS   1 -12.053  -0.633   8.477
   11   1HE   LYS   1          2HE       LYS   1 -12.500   1.395   6.365
   12   2HE   LYS   1          1HE       LYS   1 -12.277  -0.266   5.780
   13   1HZ   LYS   1          1HZ       LYS   1 -14.476  -0.343   6.342
   14   2HZ   LYS   1          2HZ       LYS   1 -14.326   0.809   7.581
   15   3HZ   LYS   1          3HZ       LYS   1 -13.800  -0.786   7.834
   16    H    TRP   2           H        TRP   2  -8.015   0.781  10.503
   17    HA   TRP   2           HA       TRP   2  -7.292   0.702  13.348
   18   1HB   TRP   2          2HB       TRP   2  -8.720  -1.431  12.147
   19   2HB   TRP   2          1HB       TRP   2  -7.059  -1.993  12.350
   20    HD1  TRP   2           HD1      TRP   2  -9.706  -2.837  14.140
   21    HE1  TRP   2           HE1      TRP   2  -9.499  -2.629  16.702
   22    HE3  TRP   2           HE3      TRP   2  -5.779   0.410  14.441
   23    HZ2  TRP   2           HZ2      TRP   2  -7.881  -1.258  18.626
   24    HZ3  TRP   2           HZ3      TRP   2  -4.926   1.152  16.647
   25    HH2  TRP   2           HH2      TRP   2  -5.970   0.324  18.737
   26    H    LYS   3           H        LYS   3  -5.243  -1.133  13.239
   27    HA   LYS   3           HA       LYS   3  -3.132   0.280  11.964
   28   1HB   LYS   3          2HB       LYS   3  -1.802  -1.623  12.688
   29   2HB   LYS   3          1HB       LYS   3  -3.035  -1.314  13.913
   30   1HG   LYS   3          2HG       LYS   3  -4.388  -3.123  13.159
   31   2HG   LYS   3          1HG       LYS   3  -3.471  -3.282  11.661
   32   1HD   LYS   3          2HD       LYS   3  -1.537  -3.568  13.638
   33   2HD   LYS   3          1HD       LYS   3  -2.931  -4.432  14.290
   34   1HE   LYS   3          2HE       LYS   3  -3.089  -5.460  11.871
   35   2HE   LYS   3          1HE       LYS   3  -1.383  -4.981  11.767
   36   1HZ   LYS   3          1HZ       LYS   3  -2.108  -7.256  12.868
   37   2HZ   LYS   3          2HZ       LYS   3  -2.291  -6.262  14.234
   38   3HZ   LYS   3          3HZ       LYS   3  -0.786  -6.367  13.452
   39    H    LEU   4           H        LEU   4  -5.324  -2.067  10.719
   40    HA   LEU   4           HA       LEU   4  -3.929  -3.361   8.689
   41   1HB   LEU   4          2HB       LEU   4  -6.085  -4.068   8.594
   42   2HB   LEU   4          1HB       LEU   4  -6.656  -2.590   9.355
   43    HG   LEU   4           HG       LEU   4  -5.845  -2.273   6.523
   44   1HD1  LEU   4          1HD1      LEU   4  -7.168  -3.821   5.582
   45   2HD1  LEU   4          2HD1      LEU   4  -8.521  -3.366   6.617
   46   3HD1  LEU   4          3HD1      LEU   4  -7.342  -4.552   7.178
   47   1HD2  LEU   4          1HD2      LEU   4  -7.902  -1.317   8.452
   48   2HD2  LEU   4          2HD2      LEU   4  -8.358  -1.323   6.748
   49   3HD2  LEU   4          3HD2      LEU   4  -6.951  -0.403   7.283
   50    H    PHE   5           H        PHE   5  -4.912  -0.044   8.867
   51    HA   PHE   5           HA       PHE   5  -4.641   0.732   6.170
   52   1HB   PHE   5          2HB       PHE   5  -4.761   1.924   8.832
   53   2HB   PHE   5          1HB       PHE   5  -3.817   2.887   7.698
   54    HD1  PHE   5           HD1      PHE   5  -4.873   4.124   5.951
   55    HD2  PHE   5           HD2      PHE   5  -7.116   1.230   8.200
   56    HE1  PHE   5           HE1      PHE   5  -6.970   4.929   4.897
   57    HE2  PHE   5           HE2      PHE   5  -9.211   2.036   7.146
   58    HZ   PHE   5           HZ       PHE   5  -9.138   3.885   5.496
   59    H    LYS   6           H        LYS   6  -2.225   0.076   8.576
   60    HA   LYS   6           HA       LYS   6  -0.017   1.402   7.252
   61   1HB   LYS   6          2HB       LYS   6  -0.108   0.749   9.659
   62   2HB   LYS   6          1HB       LYS   6  -0.052  -0.946   9.177
   63   1HG   LYS   6          2HG       LYS   6   2.185  -0.868   8.914
   64   2HG   LYS   6          1HG       LYS   6   2.062   0.554   7.876
   65   1HD   LYS   6          2HD       LYS   6   1.494   1.287  10.612
   66   2HD   LYS   6          1HD       LYS   6   3.049   0.459  10.522
   67   1HE   LYS   6          2HE       LYS   6   2.414   2.584   8.487
   68   2HE   LYS   6          1HE       LYS   6   2.968   3.059  10.105
   69   1HZ   LYS   6          1HZ       LYS   6   4.776   2.603   8.431
   70   2HZ   LYS   6          2HZ       LYS   6   4.321   0.968   8.499
   71   3HZ   LYS   6          3HZ       LYS   6   4.898   1.750   9.893
   72    H    LYS   7           H        LYS   7  -1.854  -1.219   6.305
   73    HA   LYS   7           HA       LYS   7   0.262  -2.106   4.421
   74   1HB   LYS   7          2HB       LYS   7   0.348  -3.511   6.488
   75   2HB   LYS   7          1HB       LYS   7  -1.335  -3.961   6.215
   76   1HG   LYS   7          2HG       LYS   7   0.340  -5.642   5.352
   77   2HG   LYS   7          1HG       LYS   7  -0.784  -5.049   4.132
   78   1HD   LYS   7          2HD       LYS   7   1.652  -3.420   4.394
   79   2HD   LYS   7          1HD       LYS   7   1.950  -5.073   3.860
   80   1HE   LYS   7          2HE       LYS   7  -0.356  -4.012   2.475
   81   2HE   LYS   7          1HE       LYS   7   1.038  -2.936   2.259
   82   1HZ   LYS   7          1HZ       LYS   7   2.388  -4.785   1.625
   83   2HZ   LYS   7          2HZ       LYS   7   0.989  -4.814   0.662
   84   3HZ   LYS   7          3HZ       LYS   7   1.147  -5.889   1.969
   85    H    ILE   8           H        ILE   8  -2.254  -0.561   4.095
   86    HA   ILE   8           HA       ILE   8  -4.434  -2.129   3.168
   87    HB   ILE   8           HB       ILE   8  -3.305   0.501   2.138
   88   1HG1  ILE   8          2HG1      ILE   8  -3.754   0.410   4.597
   89   2HG1  ILE   8          1HG1      ILE   8  -4.797   1.550   3.747
   90   1HG2  ILE   8          1HG2      ILE   8  -6.173  -0.457   2.063
   91   2HG2  ILE   8          2HG2      ILE   8  -5.059  -0.696   0.716
   92   3HG2  ILE   8          3HG2      ILE   8  -5.474   0.938   1.236
   93   1HD1  ILE   8          1HD1      ILE   8  -5.508  -1.232   4.702
   94   2HD1  ILE   8          2HD1      ILE   8  -6.523  -0.305   3.597
   95   3HD1  ILE   8          3HD1      ILE   8  -6.214   0.295   5.226
   96    H    GLY   9           H        GLY   9  -1.816  -0.640   1.285
   97   1HA   GLY   9          2HA       GLY   9  -1.416  -3.000  -0.362
   98   2HA   GLY   9          1HA       GLY   9  -2.303  -1.744  -1.229
   99    H    ILE  10           H        ILE  10  -0.998   0.461   0.107
  100    HA   ILE  10           HA       ILE  10   1.603   0.382  -1.328
  101    HB   ILE  10           HB       ILE  10  -0.585   2.004  -1.370
  102   1HG1  ILE  10          2HG1      ILE  10   0.804   3.517  -2.733
  103   2HG1  ILE  10          1HG1      ILE  10   2.259   2.764  -2.079
  104   1HG2  ILE  10          1HG2      ILE  10  -0.059   2.936   0.839
  105   2HG2  ILE  10          2HG2      ILE  10   0.069   4.171  -0.414
  106   3HG2  ILE  10          3HG2      ILE  10   1.527   3.433   0.251
  107   1HD1  ILE  10          1HD1      ILE  10   0.586   0.664  -3.010
  108   2HD1  ILE  10          2HD1      ILE  10   2.133   1.185  -3.677
  109   3HD1  ILE  10          3HD1      ILE  10   0.633   1.888  -4.280
  110    H    GLY  11           H        GLY  11   0.197   0.537   1.762
  111   1HA   GLY  11          2HA       GLY  11   1.894   2.015   3.359
  112   2HA   GLY  11          1HA       GLY  11   1.232   0.480   3.883
  113    H    LYS  12           H        LYS  12   2.423  -1.430   3.396
  114    HA   LYS  12           HA       LYS  12   5.253  -1.165   3.899
  115   1HB   LYS  12          2HB       LYS  12   4.106  -3.052   4.770
  116   2HB   LYS  12          1HB       LYS  12   3.362  -3.415   3.213
  117   1HG   LYS  12          2HG       LYS  12   5.120  -4.672   2.579
  118   2HG   LYS  12          1HG       LYS  12   6.264  -3.406   3.025
  119   1HD   LYS  12          2HD       LYS  12   4.943  -4.963   5.215
  120   2HD   LYS  12          1HD       LYS  12   6.255  -5.723   4.313
  121   1HE   LYS  12          2HE       LYS  12   6.704  -2.923   5.247
  122   2HE   LYS  12          1HE       LYS  12   6.757  -4.210   6.466
  123   1HZ   LYS  12          1HZ       LYS  12   8.686  -3.603   4.522
  124   2HZ   LYS  12          2HZ       LYS  12   8.045  -5.132   4.152
  125   3HZ   LYS  12          3HZ       LYS  12   8.723  -4.837   5.681
  126    H    PHE  13           H        PHE  13   3.401  -1.038   1.066
  127    HA   PHE  13           HA       PHE  13   5.037  -2.201  -0.930
  128   1HB   PHE  13          2HB       PHE  13   2.760  -1.227  -1.171
  129   2HB   PHE  13          1HB       PHE  13   3.439   0.366  -0.943
  130    HD1  PHE  13           HD1      PHE  13   4.771   1.454  -2.632
  131    HD2  PHE  13           HD2      PHE  13   3.169  -2.482  -3.250
  132    HE1  PHE  13           HE1      PHE  13   5.280   1.630  -5.053
  133    HE2  PHE  13           HE2      PHE  13   3.682  -2.310  -5.672
  134    HZ   PHE  13           HZ       PHE  13   4.736  -0.253  -6.574
  135    H    LEU  14           H        LEU  14   4.975   1.024   0.387
  136    HA   LEU  14           HA       LEU  14   7.157   2.130  -1.091
  137   1HB   LEU  14          2HB       LEU  14   5.321   3.223   0.336
  138   2HB   LEU  14          1HB       LEU  14   6.375   2.889   1.714
  139    HG   LEU  14           HG       LEU  14   8.203   4.129   0.611
  140   1HD1  LEU  14          1HD1      LEU  14   7.928   4.025  -1.675
  141   2HD1  LEU  14          2HD1      LEU  14   7.219   5.612  -1.381
  142   3HD1  LEU  14          3HD1      LEU  14   6.176   4.205  -1.579
  143   1HD2  LEU  14          1HD2      LEU  14   5.602   5.685   0.759
  144   2HD2  LEU  14          2HD2      LEU  14   7.222   6.380   0.826
  145   3HD2  LEU  14          3HD2      LEU  14   6.660   5.328   2.124
  146    H    HIS  15           H        HIS  15   7.088   0.218   1.814
  147    HA   HIS  15           HA       HIS  15   9.538   0.720   3.016
  148   1HB   HIS  15          2HB       HIS  15   7.551  -1.246   3.032
  149   2HB   HIS  15          1HB       HIS  15   9.044  -2.129   2.711
  150    HD1  HIS  15           HD1      HIS  15  11.104  -0.917   4.397
  151    HD2  HIS  15           HD2      HIS  15   7.167  -1.200   5.735
  152    HE1  HIS  15           HE1      HIS  15  11.193  -0.745   6.922
  153    H    SER  16           H        SER  16   8.927  -1.319   0.216
  154    HA   SER  16           HA       SER  16  11.703  -2.051  -0.207
  155   1HB   SER  16          2HB       SER  16   9.635  -3.314  -0.930
  156   2HB   SER  16          1HB       SER  16   9.363  -2.051  -2.127
  157    HG   SER  16           HG       SER  16  10.741  -3.067  -3.331
  158    H    ALA  17           H        ALA  17   9.631   0.539  -1.236
  159    HA   ALA  17           HA       ALA  17  11.193   1.457  -3.468
  160   1HB   ALA  17          1HB       ALA  17   8.901   2.276  -1.843
  161   2HB   ALA  17          2HB       ALA  17   9.169   2.469  -3.575
  162   3HB   ALA  17          3HB       ALA  17   9.839   3.642  -2.442
  163    H    LYS  18           H        LYS  18  11.607   1.767  -0.059
  164    HA   LYS  18           HA       LYS  18  13.264   4.176  -0.193
  165   1HB   LYS  18          2HB       LYS  18  11.888   2.646   1.738
  166   2HB   LYS  18          1HB       LYS  18  13.593   2.557   2.183
  167   1HG   LYS  18          2HG       LYS  18  12.681   4.513   3.257
  168   2HG   LYS  18          1HG       LYS  18  13.695   5.071   1.925
  169   1HD   LYS  18          2HD       LYS  18  11.688   5.279   0.490
  170   2HD   LYS  18          1HD       LYS  18  10.681   4.755   1.839
  171   1HE   LYS  18          2HE       LYS  18  11.396   6.711   3.159
  172   2HE   LYS  18          1HE       LYS  18  12.434   7.237   1.820
  173   1HZ   LYS  18          1HZ       LYS  18   9.792   7.848   2.099
  174   2HZ   LYS  18          2HZ       LYS  18   9.773   6.572   0.977
  175   3HZ   LYS  18          3HZ       LYS  18  10.686   7.970   0.663
  176    H    LYS  19           H        LYS  19  13.716   0.823  -0.646
  177    HA   LYS  19           HA       LYS  19  16.595   0.827  -0.018
  178   1HB   LYS  19          2HB       LYS  19  14.923  -1.285  -1.401
  179   2HB   LYS  19          1HB       LYS  19  16.399  -1.521  -0.462
  180   1HG   LYS  19          2HG       LYS  19  14.535  -0.134   1.190
  181   2HG   LYS  19          1HG       LYS  19  13.692  -1.504   0.467
  182   1HD   LYS  19          2HD       LYS  19  14.679  -2.813   2.019
  183   2HD   LYS  19          1HD       LYS  19  16.206  -2.515   1.188
  184   1HE   LYS  19          2HE       LYS  19  16.238  -0.291   2.593
  185   2HE   LYS  19          1HE       LYS  19  15.098  -1.162   3.637
  186   1HZ   LYS  19          1HZ       LYS  19  17.795  -2.077   2.788
  187   2HZ   LYS  19          2HZ       LYS  19  16.672  -3.058   3.603
  188   3HZ   LYS  19          3HZ       LYS  19  17.305  -1.675   4.361
  189    H    PHE  20           H        PHE  20  14.745   1.912  -2.556
  190    HA   PHE  20           HA       PHE  20  16.986   1.477  -4.505
  191   1HB   PHE  20          2HB       PHE  20  14.000   1.577  -5.052
  192   2HB   PHE  20          1HB       PHE  20  15.268   1.207  -6.221
  193    HD1  PHE  20           HD1      PHE  20  17.066  -0.533  -4.677
  194    HD2  PHE  20           HD2      PHE  20  12.772  -0.424  -4.806
  195    HE1  PHE  20           HE1      PHE  20  16.985  -2.925  -4.023
  196    HE2  PHE  20           HE2      PHE  20  12.694  -2.817  -4.152
  197    HZ   PHE  20           HZ       PHE  20  14.800  -4.066  -3.761
  198   1HN   NH2  21          1HN       NH2  21  17.923   3.566  -4.580
  199   2HN   NH2  21          2HN       NH2  21  17.049   5.003  -4.807
  Start of MODEL    5
    1   1H    LYS   1          1H        LYS   1  -8.152 -10.459   9.224
    2   2H    LYS   1          2H        LYS   1  -9.451 -11.547   9.093
    3   3H    LYS   1          3H        LYS   1  -9.564 -10.205  10.129
    4    HA   LYS   1           HA       LYS   1  -9.097  -9.754   7.254
    5   1HB   LYS   1          2HB       LYS   1 -11.154 -11.355   8.290
    6   2HB   LYS   1          1HB       LYS   1 -11.901  -9.775   8.045
    7   1HG   LYS   1          2HG       LYS   1 -10.544  -9.937   5.736
    8   2HG   LYS   1          1HG       LYS   1 -10.755 -11.661   6.041
    9   1HD   LYS   1          2HD       LYS   1 -12.739 -11.259   4.945
   10   2HD   LYS   1          1HD       LYS   1 -13.254 -10.856   6.584
   11   1HE   LYS   1          2HE       LYS   1 -13.176  -8.546   6.183
   12   2HE   LYS   1          1HE       LYS   1 -12.038  -8.723   4.831
   13   1HZ   LYS   1          1HZ       LYS   1 -14.679  -8.471   4.504
   14   2HZ   LYS   1          2HZ       LYS   1 -14.542 -10.164   4.561
   15   3HZ   LYS   1          3HZ       LYS   1 -13.670  -9.277   3.404
   16    H    TRP   2           H        TRP   2  -8.102  -8.084   9.129
   17    HA   TRP   2           HA       TRP   2  -9.884  -6.193  10.320
   18   1HB   TRP   2          2HB       TRP   2  -7.108  -6.692  10.046
   19   2HB   TRP   2          1HB       TRP   2  -7.370  -5.037   9.490
   20    HD1  TRP   2           HD1      TRP   2  -9.302  -6.872  12.271
   21    HE1  TRP   2           HE1      TRP   2  -9.052  -5.528  14.456
   22    HE3  TRP   2           HE3      TRP   2  -6.043  -3.259  10.716
   23    HZ2  TRP   2           HZ2      TRP   2  -7.655  -3.226  15.418
   24    HZ3  TRP   2           HZ3      TRP   2  -5.269  -1.505  12.288
   25    HH2  TRP   2           HH2      TRP   2  -6.070  -1.484  14.635
   26    H    LYS   3           H        LYS   3  -9.894  -3.804   9.590
   27    HA   LYS   3           HA       LYS   3 -11.003  -3.634   6.923
   28   1HB   LYS   3          2HB       LYS   3 -10.814  -2.096   9.342
   29   2HB   LYS   3          1HB       LYS   3 -10.376  -1.068   7.976
   30   1HG   LYS   3          2HG       LYS   3 -12.492  -1.048   7.171
   31   2HG   LYS   3          1HG       LYS   3 -12.698  -2.780   7.438
   32   1HD   LYS   3          2HD       LYS   3 -13.828  -2.419   9.352
   33   2HD   LYS   3          1HD       LYS   3 -12.552  -1.366   9.964
   34   1HE   LYS   3          2HE       LYS   3 -14.295  -0.235   7.821
   35   2HE   LYS   3          1HE       LYS   3 -15.013  -0.420   9.434
   36   1HZ   LYS   3          1HZ       LYS   3 -12.535   1.031   8.696
   37   2HZ   LYS   3          2HZ       LYS   3 -12.880   0.581  10.298
   38   3HZ   LYS   3          3HZ       LYS   3 -13.912   1.646   9.472
   39    H    LEU   4           H        LEU   4  -7.844  -3.809   7.942
   40    HA   LEU   4           HA       LEU   4  -6.476  -1.796   6.480
   41   1HB   LEU   4          2HB       LEU   4  -4.960  -2.846   7.793
   42   2HB   LEU   4          1HB       LEU   4  -5.995  -4.263   7.934
   43    HG   LEU   4           HG       LEU   4  -5.191  -5.004   5.678
   44   1HD1  LEU   4          1HD1      LEU   4  -3.927  -3.651   4.394
   45   2HD1  LEU   4          2HD1      LEU   4  -2.771  -3.401   5.702
   46   3HD1  LEU   4          3HD1      LEU   4  -4.199  -2.373   5.578
   47   1HD2  LEU   4          1HD2      LEU   4  -3.099  -5.879   6.493
   48   2HD2  LEU   4          2HD2      LEU   4  -4.165  -5.738   7.891
   49   3HD2  LEU   4          3HD2      LEU   4  -2.905  -4.534   7.617
   50    H    PHE   5           H        PHE   5  -7.913  -4.794   5.498
   51    HA   PHE   5           HA       PHE   5  -6.790  -5.668   3.211
   52   1HB   PHE   5          2HB       PHE   5  -9.026  -6.182   2.536
   53   2HB   PHE   5          1HB       PHE   5  -8.999  -6.202   4.284
   54    HD1  PHE   5           HD1      PHE   5 -10.084  -4.468   5.589
   55    HD2  PHE   5           HD2      PHE   5 -10.091  -4.392   1.303
   56    HE1  PHE   5           HE1      PHE   5 -11.876  -2.734   5.617
   57    HE2  PHE   5           HE2      PHE   5 -11.878  -2.667   1.325
   58    HZ   PHE   5           HZ       PHE   5 -12.767  -1.839   3.487
   59    H    LYS   6           H        LYS   6  -8.625  -2.765   3.507
   60    HA   LYS   6           HA       LYS   6  -8.951  -1.736   1.001
   61   1HB   LYS   6          2HB       LYS   6  -8.331  -0.680   3.667
   62   2HB   LYS   6          1HB       LYS   6  -7.905   0.427   2.363
   63   1HG   LYS   6          2HG       LYS   6 -10.238   0.015   1.422
   64   2HG   LYS   6          1HG       LYS   6 -10.613  -0.781   2.950
   65   1HD   LYS   6          2HD       LYS   6 -10.500   1.182   4.166
   66   2HD   LYS   6          1HD       LYS   6  -9.353   1.929   3.053
   67   1HE   LYS   6          2HE       LYS   6 -11.019   2.622   1.586
   68   2HE   LYS   6          1HE       LYS   6 -12.121   1.311   2.058
   69   1HZ   LYS   6          1HZ       LYS   6 -12.840   2.433   3.855
   70   2HZ   LYS   6          2HZ       LYS   6 -12.310   3.805   3.003
   71   3HZ   LYS   6          3HZ       LYS   6 -11.320   3.104   4.192
   72    H    LYS   7           H        LYS   7  -5.868  -2.246   2.560
   73    HA   LYS   7           HA       LYS   7  -4.488  -1.626   0.014
   74   1HB   LYS   7          2HB       LYS   7  -4.397  -0.059   2.560
   75   2HB   LYS   7          1HB       LYS   7  -2.914  -0.198   1.622
   76   1HG   LYS   7          2HG       LYS   7  -3.679   1.468   0.311
   77   2HG   LYS   7          1HG       LYS   7  -4.914   0.350  -0.268
   78   1HD   LYS   7          2HD       LYS   7  -6.202   1.028   1.897
   79   2HD   LYS   7          1HD       LYS   7  -5.118   2.418   1.910
   80   1HE   LYS   7          2HE       LYS   7  -5.814   2.828  -0.519
   81   2HE   LYS   7          1HE       LYS   7  -7.102   1.638  -0.245
   82   1HZ   LYS   7          1HZ       LYS   7  -6.949   4.327   0.655
   83   2HZ   LYS   7          2HZ       LYS   7  -7.084   3.275   1.983
   84   3HZ   LYS   7          3HZ       LYS   7  -8.250   3.245   0.748
   85    H    ILE   8           H        ILE   8  -4.667  -4.161   1.002
   86    HA   ILE   8           HA       ILE   8  -2.819  -5.065   2.938
   87    HB   ILE   8           HB       ILE   8  -3.744  -6.284   0.318
   88   1HG1  ILE   8          2HG1      ILE   8  -5.501  -5.588   1.970
   89   2HG1  ILE   8          1HG1      ILE   8  -5.469  -7.324   1.659
   90   1HG2  ILE   8          1HG2      ILE   8  -1.890  -7.228   2.354
   91   2HG2  ILE   8          2HG2      ILE   8  -2.293  -7.945   0.793
   92   3HG2  ILE   8          3HG2      ILE   8  -3.285  -8.297   2.209
   93   1HD1  ILE   8          1HD1      ILE   8  -5.264  -6.063   4.167
   94   2HD1  ILE   8          2HD1      ILE   8  -3.641  -6.645   3.803
   95   3HD1  ILE   8          3HD1      ILE   8  -5.000  -7.770   3.817
   96    H    GLY   9           H        GLY   9  -2.170  -3.626  -0.137
   97   1HA   GLY   9          2HA       GLY   9   0.703  -4.343   0.201
   98   2HA   GLY   9          1HA       GLY   9  -0.058  -4.653  -1.357
   99    H    ILE  10           H        ILE  10   0.799  -2.082   0.922
  100    HA   ILE  10           HA       ILE  10   1.467  -0.298  -1.266
  101    HB   ILE  10           HB       ILE  10  -1.124  -0.413  -0.879
  102   1HG1  ILE  10          2HG1      ILE  10  -0.512   2.413  -0.907
  103   2HG1  ILE  10          1HG1      ILE  10   0.657   1.523  -1.882
  104   1HG2  ILE  10          1HG2      ILE  10  -0.205   1.453   1.313
  105   2HG2  ILE  10          2HG2      ILE  10  -1.096  -0.055   1.517
  106   3HG2  ILE  10          3HG2      ILE  10  -1.868   1.327   0.740
  107   1HD1  ILE  10          1HD1      ILE  10  -1.836   2.297  -2.750
  108   2HD1  ILE  10          2HD1      ILE  10  -2.121   0.630  -2.254
  109   3HD1  ILE  10          3HD1      ILE  10  -0.885   0.992  -3.458
  110    H    GLY  11           H        GLY  11   0.581  -0.476   2.121
  111   1HA   GLY  11          2HA       GLY  11   2.166   1.714   3.040
  112   2HA   GLY  11          1HA       GLY  11   1.661   0.363   4.047
  113    H    LYS  12           H        LYS  12   2.841  -1.723   3.425
  114    HA   LYS  12           HA       LYS  12   5.689  -1.337   3.810
  115   1HB   LYS  12          2HB       LYS  12   3.701  -3.525   3.610
  116   2HB   LYS  12          1HB       LYS  12   5.336  -3.966   3.119
  117   1HG   LYS  12          2HG       LYS  12   6.165  -2.970   5.286
  118   2HG   LYS  12          1HG       LYS  12   4.481  -2.794   5.778
  119   1HD   LYS  12          2HD       LYS  12   5.383  -5.466   4.780
  120   2HD   LYS  12          1HD       LYS  12   5.871  -4.976   6.403
  121   1HE   LYS  12          2HE       LYS  12   3.652  -4.874   7.180
  122   2HE   LYS  12          1HE       LYS  12   2.988  -4.715   5.542
  123   1HZ   LYS  12          1HZ       LYS  12   3.619  -7.084   6.988
  124   2HZ   LYS  12          2HZ       LYS  12   4.476  -7.036   5.522
  125   3HZ   LYS  12          3HZ       LYS  12   2.782  -6.918   5.523
  126    H    PHE  13           H        PHE  13   3.651  -1.262   1.115
  127    HA   PHE  13           HA       PHE  13   5.314  -2.429  -0.916
  128   1HB   PHE  13          2HB       PHE  13   2.786  -1.674  -0.764
  129   2HB   PHE  13          1HB       PHE  13   3.427  -0.150  -1.374
  130    HD1  PHE  13           HD1      PHE  13   2.131  -3.283  -2.304
  131    HD2  PHE  13           HD2      PHE  13   5.130  -0.412  -3.397
  132    HE1  PHE  13           HE1      PHE  13   2.208  -4.236  -4.596
  133    HE2  PHE  13           HE2      PHE  13   5.210  -1.363  -5.689
  134    HZ   PHE  13           HZ       PHE  13   3.748  -3.275  -6.288
  135    H    LEU  14           H        LEU  14   4.740   0.898   0.097
  136    HA   LEU  14           HA       LEU  14   6.807   2.001  -1.619
  137   1HB   LEU  14          2HB       LEU  14   4.610   2.980  -0.425
  138   2HB   LEU  14          1HB       LEU  14   5.802   3.441   0.790
  139    HG   LEU  14           HG       LEU  14   7.091   4.670  -0.850
  140   1HD1  LEU  14          1HD1      LEU  14   5.485   4.674  -3.159
  141   2HD1  LEU  14          2HD1      LEU  14   5.615   2.980  -2.686
  142   3HD1  LEU  14          3HD1      LEU  14   7.073   3.929  -2.978
  143   1HD2  LEU  14          1HD2      LEU  14   4.161   5.165  -0.612
  144   2HD2  LEU  14          2HD2      LEU  14   5.032   6.102  -1.827
  145   3HD2  LEU  14          3HD2      LEU  14   5.515   6.189  -0.132
  146    H    HIS  15           H        HIS  15   6.645   0.826   1.652
  147    HA   HIS  15           HA       HIS  15   8.995   1.978   2.746
  148   1HB   HIS  15          2HB       HIS  15   7.540  -0.645   3.098
  149   2HB   HIS  15          1HB       HIS  15   8.972  -0.265   4.055
  150    HD1  HIS  15           HD1      HIS  15   8.155   2.901   4.121
  151    HD2  HIS  15           HD2      HIS  15   5.859  -0.333   5.406
  152    HE1  HIS  15           HE1      HIS  15   6.499   3.820   5.800
  153    H    SER  16           H        SER  16   8.511  -0.416   0.332
  154    HA   SER  16           HA       SER  16  11.199  -1.556   0.413
  155   1HB   SER  16          2HB       SER  16   9.149  -2.750  -0.359
  156   2HB   SER  16          1HB       SER  16   9.017  -1.601  -1.690
  157    HG   SER  16           HG       SER  16  10.162  -3.705  -2.048
  158    H    ALA  17           H        ALA  17   9.552   1.057  -1.154
  159    HA   ALA  17           HA       ALA  17  11.294   1.566  -3.342
  160   1HB   ALA  17          1HB       ALA  17  10.200   3.891  -1.881
  161   2HB   ALA  17          2HB       ALA  17   9.015   2.644  -2.270
  162   3HB   ALA  17          3HB       ALA  17   9.949   3.406  -3.558
  163    H    LYS  18           H        LYS  18  11.801   1.823   0.025
  164    HA   LYS  18           HA       LYS  18  13.861   3.889  -0.052
  165   1HB   LYS  18          2HB       LYS  18  12.322   2.397   1.842
  166   2HB   LYS  18          1HB       LYS  18  14.025   2.173   2.238
  167   1HG   LYS  18          2HG       LYS  18  13.679   4.145   3.366
  168   2HG   LYS  18          1HG       LYS  18  14.061   4.821   1.781
  169   1HD   LYS  18          2HD       LYS  18  12.038   5.812   1.791
  170   2HD   LYS  18          1HD       LYS  18  11.310   4.207   1.701
  171   1HE   LYS  18          2HE       LYS  18  10.515   4.431   3.808
  172   2HE   LYS  18          1HE       LYS  18  12.158   4.721   4.415
  173   1HZ   LYS  18          1HZ       LYS  18  11.949   6.953   4.219
  174   2HZ   LYS  18          2HZ       LYS  18  10.300   6.600   4.435
  175   3HZ   LYS  18          3HZ       LYS  18  10.920   6.864   2.874
  176    H    LYS  19           H        LYS  19  13.697   0.536  -0.702
  177    HA   LYS  19           HA       LYS  19  16.538  -0.021  -0.185
  178   1HB   LYS  19          2HB       LYS  19  14.904  -1.751   0.221
  179   2HB   LYS  19          1HB       LYS  19  14.219  -1.550  -1.392
  180   1HG   LYS  19          2HG       LYS  19  16.033  -2.584  -2.439
  181   2HG   LYS  19          1HG       LYS  19  17.123  -2.258  -1.091
  182   1HD   LYS  19          2HD       LYS  19  14.802  -3.929  -0.379
  183   2HD   LYS  19          1HD       LYS  19  15.893  -4.672  -1.549
  184   1HE   LYS  19          2HE       LYS  19  17.348  -5.146   0.118
  185   2HE   LYS  19          1HE       LYS  19  17.483  -3.417   0.491
  186   1HZ   LYS  19          1HZ       LYS  19  15.708  -5.435   1.654
  187   2HZ   LYS  19          2HZ       LYS  19  15.102  -3.857   1.484
  188   3HZ   LYS  19          3HZ       LYS  19  16.502  -4.137   2.404
  189    H    PHE  20           H        PHE  20  14.698   1.330  -2.693
  190    HA   PHE  20           HA       PHE  20  16.821   0.690  -4.717
  191   1HB   PHE  20          2HB       PHE  20  13.987   1.640  -5.213
  192   2HB   PHE  20          1HB       PHE  20  15.086   0.878  -6.363
  193    HD1  PHE  20           HD1      PHE  20  12.180   0.165  -4.936
  194    HD2  PHE  20           HD2      PHE  20  16.193  -1.363  -4.851
  195    HE1  PHE  20           HE1      PHE  20  11.315  -2.069  -4.292
  196    HE2  PHE  20           HE2      PHE  20  15.328  -3.596  -4.209
  197    HZ   PHE  20           HZ       PHE  20  12.890  -3.949  -3.928
  198   1HN   NH2  21          1HN       NH2  21  18.172   2.560  -4.051
  199   2HN   NH2  21          2HN       NH2  21  17.678   4.153  -4.374
  Start of MODEL    6
    1   1H    LYS   1          1H        LYS   1 -14.211  -9.433 -10.266
    2   2H    LYS   1          2H        LYS   1 -14.341  -9.055  -8.615
    3   3H    LYS   1          3H        LYS   1 -14.973 -10.517  -9.207
    4    HA   LYS   1           HA       LYS   1 -12.930 -11.523  -9.363
    5   1HB   LYS   1          2HB       LYS   1 -12.393  -8.977 -10.482
    6   2HB   LYS   1          1HB       LYS   1 -11.171  -9.231  -9.235
    7   1HG   LYS   1          2HG       LYS   1 -11.451 -11.699 -10.603
    8   2HG   LYS   1          1HG       LYS   1 -11.349 -10.442 -11.838
    9   1HD   LYS   1          2HD       LYS   1  -9.333  -9.528 -10.648
   10   2HD   LYS   1          1HD       LYS   1  -9.394 -10.924  -9.572
   11   1HE   LYS   1          2HE       LYS   1  -9.468 -12.237 -11.916
   12   2HE   LYS   1          1HE       LYS   1  -8.592 -10.787 -12.443
   13   1HZ   LYS   1          1HZ       LYS   1  -7.098 -12.486 -11.512
   14   2HZ   LYS   1          2HZ       LYS   1  -7.925 -12.391 -10.032
   15   3HZ   LYS   1          3HZ       LYS   1  -7.066 -11.046 -10.615
   16    H    TRP   2           H        TRP   2 -10.726 -11.125  -7.891
   17    HA   TRP   2           HA       TRP   2 -11.736 -10.386  -5.165
   18   1HB   TRP   2          2HB       TRP   2 -10.000 -12.120  -4.460
   19   2HB   TRP   2          1HB       TRP   2 -11.393 -12.751  -5.337
   20    HD1  TRP   2           HD1      TRP   2 -11.031 -13.424  -7.905
   21    HE1  TRP   2           HE1      TRP   2  -8.904 -14.138  -9.182
   22    HE3  TRP   2           HE3      TRP   2  -7.476 -11.759  -4.659
   23    HZ2  TRP   2           HZ2      TRP   2  -6.058 -14.006  -8.859
   24    HZ3  TRP   2           HZ3      TRP   2  -5.065 -12.061  -5.158
   25    HH2  TRP   2           HH2      TRP   2  -4.354 -13.181  -7.255
   26    H    LYS   3           H        LYS   3 -10.686  -8.461  -6.790
   27    HA   LYS   3           HA       LYS   3  -7.932  -7.949  -6.814
   28   1HB   LYS   3          2HB       LYS   3 -10.113  -6.729  -7.716
   29   2HB   LYS   3          1HB       LYS   3  -9.893  -5.758  -6.260
   30   1HG   LYS   3          2HG       LYS   3  -8.590  -4.556  -7.746
   31   2HG   LYS   3          1HG       LYS   3  -7.380  -5.668  -7.107
   32   1HD   LYS   3          2HD       LYS   3  -7.385  -6.990  -9.031
   33   2HD   LYS   3          1HD       LYS   3  -9.001  -6.466  -9.506
   34   1HE   LYS   3          2HE       LYS   3  -6.516  -4.712  -9.546
   35   2HE   LYS   3          1HE       LYS   3  -7.294  -5.431 -10.971
   36   1HZ   LYS   3          1HZ       LYS   3  -8.139  -3.191  -9.359
   37   2HZ   LYS   3          2HZ       LYS   3  -9.374  -4.320  -9.655
   38   3HZ   LYS   3          3HZ       LYS   3  -8.555  -3.592 -10.953
   39    H    LEU   4           H        LEU   4  -9.908  -8.218  -4.050
   40    HA   LEU   4           HA       LEU   4  -9.167  -6.395  -2.168
   41   1HB   LEU   4          2HB       LEU   4 -10.467  -8.121  -1.342
   42   2HB   LEU   4          1HB       LEU   4  -9.554  -9.349  -2.214
   43    HG   LEU   4           HG       LEU   4  -7.721  -9.185  -0.617
   44   1HD1  LEU   4          1HD1      LEU   4  -7.446  -7.461   0.837
   45   2HD1  LEU   4          2HD1      LEU   4  -9.154  -7.436   1.275
   46   3HD1  LEU   4          3HD1      LEU   4  -8.607  -6.623  -0.192
   47   1HD2  LEU   4          1HD2      LEU   4 -10.446  -9.392   0.701
   48   2HD2  LEU   4          2HD2      LEU   4  -8.938  -9.917   1.450
   49   3HD2  LEU   4          3HD2      LEU   4  -9.520 -10.711  -0.013
   50    H    PHE   5           H        PHE   5  -7.063  -8.752  -3.642
   51    HA   PHE   5           HA       PHE   5  -4.845  -8.676  -1.887
   52   1HB   PHE   5          2HB       PHE   5  -5.500  -9.421  -4.637
   53   2HB   PHE   5          1HB       PHE   5  -3.832  -8.882  -4.473
   54    HD1  PHE   5           HD1      PHE   5  -2.326 -10.627  -4.147
   55    HD2  PHE   5           HD2      PHE   5  -6.229 -10.874  -2.369
   56    HE1  PHE   5           HE1      PHE   5  -1.727 -12.810  -3.134
   57    HE2  PHE   5           HE2      PHE   5  -5.627 -13.057  -1.355
   58    HZ   PHE   5           HZ       PHE   5  -3.378 -14.025  -1.737
   59    H    LYS   6           H        LYS   6  -5.984  -6.368  -4.207
   60    HA   LYS   6           HA       LYS   6  -3.550  -4.759  -4.304
   61   1HB   LYS   6          2HB       LYS   6  -5.000  -4.647  -6.178
   62   2HB   LYS   6          1HB       LYS   6  -6.432  -4.478  -5.163
   63   1HG   LYS   6          2HG       LYS   6  -5.875  -2.230  -4.579
   64   2HG   LYS   6          1HG       LYS   6  -4.246  -2.389  -5.237
   65   1HD   LYS   6          2HD       LYS   6  -5.134  -2.595  -7.498
   66   2HD   LYS   6          1HD       LYS   6  -6.787  -2.568  -6.884
   67   1HE   LYS   6          2HE       LYS   6  -5.105  -0.281  -6.024
   68   2HE   LYS   6          1HE       LYS   6  -5.493  -0.333  -7.754
   69   1HZ   LYS   6          1HZ       LYS   6  -7.677  -1.058  -6.003
   70   2HZ   LYS   6          2HZ       LYS   6  -7.671  -0.048  -7.369
   71   3HZ   LYS   6          3HZ       LYS   6  -7.183   0.558  -5.860
   72    H    LYS   7           H        LYS   7  -5.745  -5.333  -1.882
   73    HA   LYS   7           HA       LYS   7  -5.313  -2.624  -0.671
   74   1HB   LYS   7          2HB       LYS   7  -7.702  -4.446  -0.867
   75   2HB   LYS   7          1HB       LYS   7  -7.570  -3.336   0.498
   76   1HG   LYS   7          2HG       LYS   7  -6.935  -1.709  -1.630
   77   2HG   LYS   7          1HG       LYS   7  -8.163  -2.768  -2.324
   78   1HD   LYS   7          2HD       LYS   7  -8.429  -1.123   0.209
   79   2HD   LYS   7          1HD       LYS   7  -9.259  -0.835  -1.321
   80   1HE   LYS   7          2HE       LYS   7 -10.802  -2.480  -0.933
   81   2HE   LYS   7          1HE       LYS   7  -9.599  -3.563  -0.204
   82   1HZ   LYS   7          1HZ       LYS   7  -9.542  -1.725   1.616
   83   2HZ   LYS   7          2HZ       LYS   7 -10.770  -2.900   1.640
   84   3HZ   LYS   7          3HZ       LYS   7 -11.087  -1.348   1.028
   85    H    ILE   8           H        ILE   8  -4.238  -5.675  -0.506
   86    HA   ILE   8           HA       ILE   8  -4.663  -6.421   2.254
   87    HB   ILE   8           HB       ILE   8  -2.851  -7.184  -0.022
   88   1HG1  ILE   8          2HG1      ILE   8  -5.215  -8.000   0.166
   89   2HG1  ILE   8          1HG1      ILE   8  -4.027  -9.304   0.191
   90   1HG2  ILE   8          1HG2      ILE   8  -1.250  -7.668   1.552
   91   2HG2  ILE   8          2HG2      ILE   8  -2.248  -9.106   1.772
   92   3HG2  ILE   8          3HG2      ILE   8  -2.420  -7.737   2.871
   93   1HD1  ILE   8          1HD1      ILE   8  -4.630  -9.931   2.274
   94   2HD1  ILE   8          2HD1      ILE   8  -6.019  -8.856   2.098
   95   3HD1  ILE   8          3HD1      ILE   8  -4.542  -8.273   2.867
   96    H    GLY   9           H        GLY   9  -1.829  -4.962   0.582
   97   1HA   GLY   9          2HA       GLY   9  -1.199  -3.406   2.978
   98   2HA   GLY   9          1HA       GLY   9  -0.051  -4.707   2.672
   99    H    ILE  10           H        ILE  10  -0.847  -1.499   1.916
  100    HA   ILE  10           HA       ILE  10   0.965  -1.546  -0.445
  101    HB   ILE  10           HB       ILE  10  -0.264   0.778  -0.701
  102   1HG1  ILE  10          2HG1      ILE  10  -1.462   0.286   1.557
  103   2HG1  ILE  10          1HG1      ILE  10  -2.423   0.928   0.227
  104   1HG2  ILE  10          1HG2      ILE  10  -1.933  -0.344  -2.129
  105   2HG2  ILE  10          2HG2      ILE  10  -1.570  -1.876  -1.333
  106   3HG2  ILE  10          3HG2      ILE  10  -0.339  -1.078  -2.311
  107   1HD1  ILE  10          1HD1      ILE  10  -2.262  -1.985   0.137
  108   2HD1  ILE  10          2HD1      ILE  10  -3.684  -0.942   0.118
  109   3HD1  ILE  10          3HD1      ILE  10  -2.955  -1.410   1.654
  110    H    GLY  11           H        GLY  11   0.149   0.108   2.539
  111   1HA   GLY  11          2HA       GLY  11   2.065   2.187   2.444
  112   2HA   GLY  11          1HA       GLY  11   1.502   1.451   3.938
  113    H    LYS  12           H        LYS  12   2.334  -1.142   3.476
  114    HA   LYS  12           HA       LYS  12   5.139  -1.001   4.211
  115   1HB   LYS  12          2HB       LYS  12   2.963  -2.984   3.956
  116   2HB   LYS  12          1HB       LYS  12   4.575  -3.638   3.661
  117   1HG   LYS  12          2HG       LYS  12   5.226  -2.351   5.843
  118   2HG   LYS  12          1HG       LYS  12   3.491  -2.349   6.157
  119   1HD   LYS  12          2HD       LYS  12   3.571  -4.498   6.824
  120   2HD   LYS  12          1HD       LYS  12   4.299  -4.974   5.292
  121   1HE   LYS  12          2HE       LYS  12   5.762  -3.969   7.760
  122   2HE   LYS  12          1HE       LYS  12   5.872  -5.584   7.031
  123   1HZ   LYS  12          1HZ       LYS  12   6.344  -3.998   4.923
  124   2HZ   LYS  12          2HZ       LYS  12   7.566  -4.687   5.883
  125   3HZ   LYS  12          3HZ       LYS  12   7.061  -3.089   6.162
  126    H    PHE  13           H        PHE  13   3.591  -0.780   1.261
  127    HA   PHE  13           HA       PHE  13   5.323  -2.356  -0.442
  128   1HB   PHE  13          2HB       PHE  13   2.971  -1.450  -0.860
  129   2HB   PHE  13          1HB       PHE  13   3.723   0.119  -1.101
  130    HD1  PHE  13           HD1      PHE  13   4.080   0.716  -3.302
  131    HD2  PHE  13           HD2      PHE  13   4.391  -3.417  -2.177
  132    HE1  PHE  13           HE1      PHE  13   4.644   0.120  -5.646
  133    HE2  PHE  13           HE2      PHE  13   4.955  -4.014  -4.519
  134    HZ   PHE  13           HZ       PHE  13   5.083  -2.244  -6.251
  135    H    LEU  14           H        LEU  14   5.032   1.060   0.293
  136    HA   LEU  14           HA       LEU  14   7.131   2.116  -1.222
  137   1HB   LEU  14          2HB       LEU  14   5.791   2.777   1.360
  138   2HB   LEU  14          1HB       LEU  14   7.255   3.671   0.960
  139    HG   LEU  14           HG       LEU  14   5.411   4.935   0.086
  140   1HD1  LEU  14          1HD1      LEU  14   6.433   5.321  -1.887
  141   2HD1  LEU  14          2HD1      LEU  14   6.002   3.724  -2.499
  142   3HD1  LEU  14          3HD1      LEU  14   7.457   3.932  -1.525
  143   1HD2  LEU  14          1HD2      LEU  14   3.591   4.039  -1.074
  144   2HD2  LEU  14          2HD2      LEU  14   3.944   2.758   0.085
  145   3HD2  LEU  14          3HD2      LEU  14   4.490   2.611  -1.586
  146    H    HIS  15           H        HIS  15   7.343   0.066   1.547
  147    HA   HIS  15           HA       HIS  15   9.947   0.723   2.500
  148   1HB   HIS  15          2HB       HIS  15   8.046  -1.536   2.586
  149   2HB   HIS  15          1HB       HIS  15   9.727  -1.986   2.850
  150    HD1  HIS  15           HD1      HIS  15  10.754   0.415   4.426
  151    HD2  HIS  15           HD2      HIS  15   7.063  -1.371   5.174
  152    HE1  HIS  15           HE1      HIS  15  10.142   1.005   6.812
  153    H    SER  16           H        SER  16   8.823  -1.030  -0.269
  154    HA   SER  16           HA       SER  16  11.339  -2.279  -0.980
  155   1HB   SER  16          2HB       SER  16   9.160  -3.105  -1.744
  156   2HB   SER  16          1HB       SER  16   8.840  -1.567  -2.543
  157    HG   SER  16           HG       SER  16  10.495  -1.988  -3.966
  158    H    ALA  17           H        ALA  17   9.693   0.704  -1.777
  159    HA   ALA  17           HA       ALA  17  11.748   1.581  -3.677
  160   1HB   ALA  17          1HB       ALA  17  10.315   3.742  -3.411
  161   2HB   ALA  17          2HB       ALA  17   9.248   2.730  -2.436
  162   3HB   ALA  17          3HB       ALA  17   9.545   2.326  -4.127
  163    H    LYS  18           H        LYS  18  11.342   1.571  -0.303
  164    HA   LYS  18           HA       LYS  18  12.878   3.999   0.255
  165   1HB   LYS  18          2HB       LYS  18  11.131   2.289   1.605
  166   2HB   LYS  18          1HB       LYS  18  12.693   1.979   2.366
  167   1HG   LYS  18          2HG       LYS  18  12.415   4.808   1.974
  168   2HG   LYS  18          1HG       LYS  18  10.964   4.206   2.778
  169   1HD   LYS  18          2HD       LYS  18  12.109   4.081   4.706
  170   2HD   LYS  18          1HD       LYS  18  13.182   2.890   3.968
  171   1HE   LYS  18          2HE       LYS  18  14.006   5.372   2.917
  172   2HE   LYS  18          1HE       LYS  18  13.753   5.647   4.651
  173   1HZ   LYS  18          1HZ       LYS  18  15.969   4.582   3.791
  174   2HZ   LYS  18          2HZ       LYS  18  15.044   3.158   3.788
  175   3HZ   LYS  18          3HZ       LYS  18  15.251   4.036   5.227
  176    H    LYS  19           H        LYS  19  13.545   0.808  -0.678
  177    HA   LYS  19           HA       LYS  19  16.197   0.607   0.572
  178   1HB   LYS  19          2HB       LYS  19  15.073  -1.444   0.338
  179   2HB   LYS  19          1HB       LYS  19  14.424  -1.015  -1.242
  180   1HG   LYS  19          2HG       LYS  19  16.082  -2.584  -1.770
  181   2HG   LYS  19          1HG       LYS  19  16.926  -1.058  -2.010
  182   1HD   LYS  19          2HD       LYS  19  18.310  -2.618  -0.706
  183   2HD   LYS  19          1HD       LYS  19  17.857  -1.224   0.277
  184   1HE   LYS  19          2HE       LYS  19  15.813  -3.254   0.502
  185   2HE   LYS  19          1HE       LYS  19  17.400  -3.949   0.891
  186   1HZ   LYS  19          1HZ       LYS  19  16.428  -1.345   1.935
  187   2HZ   LYS  19          2HZ       LYS  19  17.845  -2.165   2.388
  188   3HZ   LYS  19          3HZ       LYS  19  16.323  -2.801   2.797
  189    H    PHE  20           H        PHE  20  14.829   2.046  -2.182
  190    HA   PHE  20           HA       PHE  20  17.517   2.244  -3.503
  191   1HB   PHE  20          2HB       PHE  20  14.789   2.376  -4.822
  192   2HB   PHE  20          1HB       PHE  20  16.353   2.162  -5.609
  193    HD1  PHE  20           HD1      PHE  20  13.496   0.445  -4.740
  194    HD2  PHE  20           HD2      PHE  20  17.765   0.112  -4.397
  195    HE1  PHE  20           HE1      PHE  20  13.286  -2.013  -4.500
  196    HE2  PHE  20           HE2      PHE  20  17.554  -2.347  -4.161
  197    HZ   PHE  20           HZ       PHE  20  15.315  -3.409  -4.212
  198   1HN   NH2  21          1HN       NH2  21  17.098   4.199  -1.630
  199   2HN   NH2  21          2HN       NH2  21  16.592   5.657  -2.338
  Start of MODEL    7
    1   1H    LYS   1          1H        LYS   1  -7.232  -7.832  -4.231
    2   2H    LYS   1          2H        LYS   1  -7.897  -6.648  -3.211
    3   3H    LYS   1          3H        LYS   1  -7.547  -6.279  -4.832
    4    HA   LYS   1           HA       LYS   1  -9.202  -8.257  -5.290
    5   1HB   LYS   1          2HB       LYS   1  -9.354  -7.540  -2.434
    6   2HB   LYS   1          1HB       LYS   1 -10.923  -7.601  -3.238
    7   1HG   LYS   1          2HG       LYS   1 -10.869  -9.846  -3.118
    8   2HG   LYS   1          1HG       LYS   1  -9.443  -9.844  -4.155
    9   1HD   LYS   1          2HD       LYS   1  -8.898 -11.005  -2.089
   10   2HD   LYS   1          1HD       LYS   1  -8.029  -9.470  -2.121
   11   1HE   LYS   1          2HE       LYS   1  -9.172  -8.660  -0.321
   12   2HE   LYS   1          1HE       LYS   1 -10.716  -9.310  -0.903
   13   1HZ   LYS   1          1HZ       LYS   1  -8.511 -10.855   0.356
   14   2HZ   LYS   1          2HZ       LYS   1  -9.906 -11.546  -0.322
   15   3HZ   LYS   1          3HZ       LYS   1 -10.030 -10.535   1.038
   16    H    TRP   2           H        TRP   2 -10.379  -5.502  -3.357
   17    HA   TRP   2           HA       TRP   2 -11.647  -4.419  -5.832
   18   1HB   TRP   2          2HB       TRP   2 -12.777  -5.020  -3.523
   19   2HB   TRP   2          1HB       TRP   2 -12.155  -3.443  -3.036
   20    HD1  TRP   2           HD1      TRP   2 -13.772  -1.538  -3.472
   21    HE1  TRP   2           HE1      TRP   2 -15.670  -1.066  -5.154
   22    HE3  TRP   2           HE3      TRP   2 -13.547  -5.799  -6.273
   23    HZ2  TRP   2           HZ2      TRP   2 -16.925  -2.332  -7.392
   24    HZ3  TRP   2           HZ3      TRP   2 -15.101  -6.141  -8.171
   25    HH2  TRP   2           HH2      TRP   2 -16.790  -4.414  -8.735
   26    H    LYS   3           H        LYS   3 -11.873  -1.858  -5.587
   27    HA   LYS   3           HA       LYS   3  -9.308  -0.700  -5.962
   28   1HB   LYS   3          2HB       LYS   3 -12.127   0.133  -5.713
   29   2HB   LYS   3          1HB       LYS   3 -10.945   1.398  -5.374
   30   1HG   LYS   3          2HG       LYS   3 -11.013   1.662  -7.646
   31   2HG   LYS   3          1HG       LYS   3  -9.844   0.341  -7.604
   32   1HD   LYS   3          2HD       LYS   3 -11.267  -0.973  -8.745
   33   2HD   LYS   3          1HD       LYS   3 -12.474  -0.783  -7.473
   34   1HE   LYS   3          2HE       LYS   3 -13.637   0.153  -9.261
   35   2HE   LYS   3          1HE       LYS   3 -12.794   1.601  -8.674
   36   1HZ   LYS   3          1HZ       LYS   3 -11.296  -0.160 -10.446
   37   2HZ   LYS   3          2HZ       LYS   3 -11.297   1.537 -10.349
   38   3HZ   LYS   3          3HZ       LYS   3 -12.550   0.728 -11.164
   39    H    LEU   4           H        LEU   4 -11.541   0.160  -3.368
   40    HA   LEU   4           HA       LEU   4  -9.622   1.439  -1.710
   41   1HB   LEU   4          2HB       LEU   4 -11.398   1.426  -0.089
   42   2HB   LEU   4          1HB       LEU   4 -12.165   1.540  -1.673
   43    HG   LEU   4           HG       LEU   4 -11.909  -1.194  -1.289
   44   1HD1  LEU   4          1HD1      LEU   4 -12.117  -1.737   0.905
   45   2HD1  LEU   4          2HD1      LEU   4 -13.255  -0.425   1.209
   46   3HD1  LEU   4          3HD1      LEU   4 -11.520  -0.108   1.217
   47   1HD2  LEU   4          1HD2      LEU   4 -14.368  -1.102  -0.953
   48   2HD2  LEU   4          2HD2      LEU   4 -13.847  -0.015  -2.242
   49   3HD2  LEU   4          3HD2      LEU   4 -14.250   0.632  -0.650
   50    H    PHE   5           H        PHE   5 -10.028  -1.873  -2.353
   51    HA   PHE   5           HA       PHE   5  -9.032  -2.875   0.215
   52   1HB   PHE   5          2HB       PHE   5  -9.945  -3.883  -2.429
   53   2HB   PHE   5          1HB       PHE   5  -8.859  -4.924  -1.524
   54    HD1  PHE   5           HD1      PHE   5 -10.657  -2.920   0.788
   55    HD2  PHE   5           HD2      PHE   5 -11.095  -6.352  -1.764
   56    HE1  PHE   5           HE1      PHE   5 -12.559  -3.701   2.161
   57    HE2  PHE   5           HE2      PHE   5 -13.002  -7.127  -0.386
   58    HZ   PHE   5           HZ       PHE   5 -13.734  -5.802   1.577
   59    H    LYS   6           H        LYS   6  -7.793  -2.045  -2.917
   60    HA   LYS   6           HA       LYS   6  -5.226  -3.315  -2.721
   61   1HB   LYS   6          2HB       LYS   6  -6.722  -1.763  -4.536
   62   2HB   LYS   6          1HB       LYS   6  -5.239  -0.850  -4.249
   63   1HG   LYS   6          2HG       LYS   6  -3.961  -3.008  -4.646
   64   2HG   LYS   6          1HG       LYS   6  -5.479  -3.714  -5.201
   65   1HD   LYS   6          2HD       LYS   6  -4.928  -1.109  -6.423
   66   2HD   LYS   6          1HD       LYS   6  -3.685  -2.308  -6.781
   67   1HE   LYS   6          2HE       LYS   6  -6.112  -3.703  -7.056
   68   2HE   LYS   6          1HE       LYS   6  -6.386  -2.132  -7.837
   69   1HZ   LYS   6          1HZ       LYS   6  -4.600  -2.412  -9.244
   70   2HZ   LYS   6          2HZ       LYS   6  -5.194  -4.003  -9.153
   71   3HZ   LYS   6          3HZ       LYS   6  -3.835  -3.547  -8.241
   72    H    LYS   7           H        LYS   7  -6.532  -0.758  -0.960
   73    HA   LYS   7           HA       LYS   7  -3.841   0.438  -0.424
   74   1HB   LYS   7          2HB       LYS   7  -5.718   1.884  -1.254
   75   2HB   LYS   7          1HB       LYS   7  -6.627   1.469   0.200
   76   1HG   LYS   7          2HG       LYS   7  -5.375   2.833   1.525
   77   2HG   LYS   7          1HG       LYS   7  -3.874   2.419   0.695
   78   1HD   LYS   7          2HD       LYS   7  -5.310   3.810  -1.235
   79   2HD   LYS   7          1HD       LYS   7  -5.675   4.683   0.253
   80   1HE   LYS   7          2HE       LYS   7  -3.088   4.528   0.682
   81   2HE   LYS   7          1HE       LYS   7  -3.004   4.247  -1.069
   82   1HZ   LYS   7          1HZ       LYS   7  -3.711   6.316  -1.527
   83   2HZ   LYS   7          2HZ       LYS   7  -3.186   6.682   0.047
   84   3HZ   LYS   7          3HZ       LYS   7  -4.825   6.343  -0.248
   85    H    ILE   8           H        ILE   8  -5.913  -1.852   0.793
   86    HA   ILE   8           HA       ILE   8  -6.259  -1.394   3.531
   87    HB   ILE   8           HB       ILE   8  -5.587  -3.819   1.859
   88   1HG1  ILE   8          2HG1      ILE   8  -8.100  -3.179   3.414
   89   2HG1  ILE   8          1HG1      ILE   8  -7.833  -2.564   1.782
   90   1HG2  ILE   8          1HG2      ILE   8  -4.830  -4.722   3.830
   91   2HG2  ILE   8          2HG2      ILE   8  -6.557  -4.945   4.105
   92   3HG2  ILE   8          3HG2      ILE   8  -5.720  -3.570   4.823
   93   1HD1  ILE   8          1HD1      ILE   8  -7.885  -4.694   0.826
   94   2HD1  ILE   8          2HD1      ILE   8  -9.087  -4.849   2.107
   95   3HD1  ILE   8          3HD1      ILE   8  -7.463  -5.494   2.343
   96    H    GLY   9           H        GLY   9  -3.314  -1.949   1.751
   97   1HA   GLY   9          2HA       GLY   9  -1.691  -1.257   4.065
   98   2HA   GLY   9          1HA       GLY   9  -1.538  -2.960   3.628
   99    H    ILE  10           H        ILE  10  -0.764   0.297   2.701
  100    HA   ILE  10           HA       ILE  10   0.695  -0.741   0.312
  101    HB   ILE  10           HB       ILE  10   0.613   2.013   0.115
  102   1HG1  ILE  10          2HG1      ILE  10  -1.922   2.431   0.375
  103   2HG1  ILE  10          1HG1      ILE  10  -1.925   1.037   1.449
  104   1HG2  ILE  10          1HG2      ILE  10  -0.140   1.326  -1.869
  105   2HG2  ILE  10          2HG2      ILE  10  -1.691   0.896  -1.148
  106   3HG2  ILE  10          3HG2      ILE  10  -0.385  -0.287  -1.199
  107   1HD1  ILE  10          1HD1      ILE  10   0.057   3.271   1.847
  108   2HD1  ILE  10          2HD1      ILE  10  -0.532   2.100   3.026
  109   3HD1  ILE  10          3HD1      ILE  10  -1.582   3.405   2.482
  110    H    GLY  11           H        GLY  11   0.909   0.979   3.273
  111   1HA   GLY  11          2HA       GLY  11   3.312   2.351   3.149
  112   2HA   GLY  11          1HA       GLY  11   2.807   1.483   4.590
  113    H    LYS  12           H        LYS  12   2.873  -1.094   3.679
  114    HA   LYS  12           HA       LYS  12   5.706  -1.707   3.797
  115   1HB   LYS  12          2HB       LYS  12   3.678  -3.003   4.716
  116   2HB   LYS  12          1HB       LYS  12   3.443  -3.571   3.063
  117   1HG   LYS  12          2HG       LYS  12   4.787  -5.251   4.027
  118   2HG   LYS  12          1HG       LYS  12   5.949  -4.243   3.164
  119   1HD   LYS  12          2HD       LYS  12   6.256  -2.953   5.343
  120   2HD   LYS  12          1HD       LYS  12   5.350  -4.247   6.128
  121   1HE   LYS  12          2HE       LYS  12   7.617  -5.064   4.357
  122   2HE   LYS  12          1HE       LYS  12   8.019  -4.356   5.935
  123   1HZ   LYS  12          1HZ       LYS  12   7.628  -6.790   6.022
  124   2HZ   LYS  12          2HZ       LYS  12   6.021  -6.518   5.540
  125   3HZ   LYS  12          3HZ       LYS  12   6.582  -5.906   7.022
  126    H    PHE  13           H        PHE  13   3.451  -1.133   1.293
  127    HA   PHE  13           HA       PHE  13   4.733  -2.618  -0.836
  128   1HB   PHE  13          2HB       PHE  13   2.325  -1.601  -0.539
  129   2HB   PHE  13          1HB       PHE  13   3.069  -0.145  -1.195
  130    HD1  PHE  13           HD1      PHE  13   3.147  -3.835  -1.888
  131    HD2  PHE  13           HD2      PHE  13   2.866   0.139  -3.493
  132    HE1  PHE  13           HE1      PHE  13   2.961  -4.775  -4.177
  133    HE2  PHE  13           HE2      PHE  13   2.679  -0.799  -5.783
  134    HZ   PHE  13           HZ       PHE  13   2.728  -3.257  -6.123
  135    H    LEU  14           H        LEU  14   4.552   0.818  -0.082
  136    HA   LEU  14           HA       LEU  14   6.628   1.568  -1.964
  137   1HB   LEU  14          2HB       LEU  14   4.947   2.830   0.162
  138   2HB   LEU  14          1HB       LEU  14   6.374   3.711  -0.385
  139    HG   LEU  14           HG       LEU  14   4.464   4.382  -1.740
  140   1HD1  LEU  14          1HD1      LEU  14   5.772   4.428  -3.579
  141   2HD1  LEU  14          2HD1      LEU  14   5.649   2.680  -3.780
  142   3HD1  LEU  14          3HD1      LEU  14   6.881   3.360  -2.719
  143   1HD2  LEU  14          1HD2      LEU  14   2.888   2.932  -2.503
  144   2HD2  LEU  14          2HD2      LEU  14   3.587   1.795  -1.351
  145   3HD2  LEU  14          3HD2      LEU  14   4.097   1.766  -3.039
  146    H    HIS  15           H        HIS  15   6.648   0.244   1.167
  147    HA   HIS  15           HA       HIS  15   8.968   1.458   2.307
  148   1HB   HIS  15          2HB       HIS  15   7.189  -0.808   2.725
  149   2HB   HIS  15          1HB       HIS  15   8.853  -1.214   3.146
  150    HD1  HIS  15           HD1      HIS  15   9.600   1.765   4.044
  151    HD2  HIS  15           HD2      HIS  15   6.357  -0.465   5.417
  152    HE1  HIS  15           HE1      HIS  15   8.958   2.742   6.292
  153    H    SER  16           H        SER  16   8.576  -0.768  -0.279
  154    HA   SER  16           HA       SER  16  11.246  -1.933  -0.145
  155   1HB   SER  16          2HB       SER  16   9.367  -3.121  -1.151
  156   2HB   SER  16          1HB       SER  16   9.103  -1.796  -2.281
  157    HG   SER  16           HG       SER  16  11.625  -3.018  -2.147
  158    H    ALA  17           H        ALA  17   9.723   0.804  -1.638
  159    HA   ALA  17           HA       ALA  17  11.831   1.449  -3.517
  160   1HB   ALA  17          1HB       ALA  17  10.015   2.659  -4.147
  161   2HB   ALA  17          2HB       ALA  17  10.437   3.782  -2.855
  162   3HB   ALA  17          3HB       ALA  17   9.277   2.488  -2.554
  163    H    LYS  18           H        LYS  18  11.541   1.725  -0.131
  164    HA   LYS  18           HA       LYS  18  13.245   4.070   0.210
  165   1HB   LYS  18          2HB       LYS  18  11.507   2.484   1.734
  166   2HB   LYS  18          1HB       LYS  18  13.096   2.223   2.454
  167   1HG   LYS  18          2HG       LYS  18  12.643   4.156   3.573
  168   2HG   LYS  18          1HG       LYS  18  13.144   4.926   2.065
  169   1HD   LYS  18          2HD       LYS  18  10.922   5.243   1.346
  170   2HD   LYS  18          1HD       LYS  18  10.291   4.049   2.478
  171   1HE   LYS  18          2HE       LYS  18  10.679   5.509   4.361
  172   2HE   LYS  18          1HE       LYS  18  11.583   6.656   3.351
  173   1HZ   LYS  18          1HZ       LYS  18   9.345   7.437   3.514
  174   2HZ   LYS  18          2HZ       LYS  18   8.718   5.915   3.096
  175   3HZ   LYS  18          3HZ       LYS  18   9.562   6.834   1.944
  176    H    LYS  19           H        LYS  19  13.739   0.781  -0.497
  177    HA   LYS  19           HA       LYS  19  16.438   0.576   0.657
  178   1HB   LYS  19          2HB       LYS  19  15.293  -1.453   0.666
  179   2HB   LYS  19          1HB       LYS  19  14.482  -1.112  -0.860
  180   1HG   LYS  19          2HG       LYS  19  16.509  -1.539  -2.109
  181   2HG   LYS  19          1HG       LYS  19  17.447  -1.684  -0.619
  182   1HD   LYS  19          2HD       LYS  19  17.046  -3.920  -0.893
  183   2HD   LYS  19          1HD       LYS  19  15.498  -3.522  -0.147
  184   1HE   LYS  19          2HE       LYS  19  14.655  -4.507  -2.050
  185   2HE   LYS  19          1HE       LYS  19  14.967  -2.909  -2.758
  186   1HZ   LYS  19          1HZ       LYS  19  17.281  -3.702  -3.184
  187   2HZ   LYS  19          2HZ       LYS  19  16.092  -4.494  -4.103
  188   3HZ   LYS  19          3HZ       LYS  19  16.776  -5.262  -2.750
  189    H    PHE  20           H        PHE  20  15.097   1.970  -2.088
  190    HA   PHE  20           HA       PHE  20  16.718   1.341  -4.258
  191   1HB   PHE  20          2HB       PHE  20  16.129   3.676  -4.923
  192   2HB   PHE  20          1HB       PHE  20  14.764   2.759  -4.322
  193    HD1  PHE  20           HD1      PHE  20  16.810   3.467  -1.518
  194    HD2  PHE  20           HD2      PHE  20  14.044   5.333  -4.232
  195    HE1  PHE  20           HE1      PHE  20  16.358   5.230   0.150
  196    HE2  PHE  20           HE2      PHE  20  13.596   7.099  -2.553
  197    HZ   PHE  20           HZ       PHE  20  14.753   7.047  -0.361
  198   1HN   NH2  21          1HN       NH2  21  18.208   3.512  -5.088
  199   2HN   NH2  21          2HN       NH2  21  19.534   3.776  -4.063
  Start of MODEL    8
    1   1H    LYS   1          1H        LYS   1  -9.667 -16.016   0.181
    2   2H    LYS   1          2H        LYS   1  -7.988 -16.002  -0.078
    3   3H    LYS   1          3H        LYS   1  -8.821 -17.478   0.040
    4    HA   LYS   1           HA       LYS   1  -8.162 -16.510  -2.295
    5   1HB   LYS   1          2HB       LYS   1 -10.218 -17.752  -3.094
    6   2HB   LYS   1          1HB       LYS   1  -9.273 -18.621  -1.882
    7   1HG   LYS   1          2HG       LYS   1 -10.993 -18.613  -0.429
    8   2HG   LYS   1          1HG       LYS   1 -11.229 -16.877  -0.627
    9   1HD   LYS   1          2HD       LYS   1 -12.958 -17.175  -2.053
   10   2HD   LYS   1          1HD       LYS   1 -12.083 -18.401  -2.973
   11   1HE   LYS   1          2HE       LYS   1 -12.713 -20.137  -1.429
   12   2HE   LYS   1          1HE       LYS   1 -13.358 -18.953  -0.275
   13   1HZ   LYS   1          1HZ       LYS   1 -14.480 -19.875  -2.806
   14   2HZ   LYS   1          2HZ       LYS   1 -14.670 -18.226  -2.444
   15   3HZ   LYS   1          3HZ       LYS   1 -15.271 -19.407  -1.381
   16    H    TRP   2           H        TRP   2  -9.177 -14.195  -0.654
   17    HA   TRP   2           HA       TRP   2 -11.200 -13.123  -2.596
   18   1HB   TRP   2          2HB       TRP   2 -11.985 -13.426  -0.267
   19   2HB   TRP   2          1HB       TRP   2 -10.651 -12.429   0.309
   20    HD1  TRP   2           HD1      TRP   2 -11.376 -10.064   0.795
   21    HE1  TRP   2           HE1      TRP   2 -13.066  -8.396  -0.195
   22    HE3  TRP   2           HE3      TRP   2 -13.384 -12.942  -2.918
   23    HZ2  TRP   2           HZ2      TRP   2 -15.015  -8.291  -2.279
   24    HZ3  TRP   2           HZ3      TRP   2 -15.162 -12.032  -4.386
   25    HH2  TRP   2           HH2      TRP   2 -15.981  -9.711  -4.071
   26    H    LYS   3           H        LYS   3 -11.019 -10.646  -2.754
   27    HA   LYS   3           HA       LYS   3  -8.379  -9.937  -3.644
   28   1HB   LYS   3          2HB       LYS   3 -10.663  -8.058  -3.015
   29   2HB   LYS   3          1HB       LYS   3  -9.445  -7.900  -4.279
   30   1HG   LYS   3          2HG       LYS   3 -10.629 -10.380  -4.778
   31   2HG   LYS   3          1HG       LYS   3 -11.979  -9.335  -4.338
   32   1HD   LYS   3          2HD       LYS   3 -11.049  -7.630  -5.979
   33   2HD   LYS   3          1HD       LYS   3  -9.940  -8.886  -6.531
   34   1HE   LYS   3          2HE       LYS   3 -11.674  -9.306  -8.005
   35   2HE   LYS   3          1HE       LYS   3 -12.275 -10.268  -6.643
   36   1HZ   LYS   3          1HZ       LYS   3 -13.431  -7.977  -7.760
   37   2HZ   LYS   3          2HZ       LYS   3 -12.913  -7.568  -6.195
   38   3HZ   LYS   3          3HZ       LYS   3 -13.975  -8.874  -6.428
   39    H    LEU   4           H        LEU   4  -9.489 -10.160  -0.493
   40    HA   LEU   4           HA       LEU   4  -8.616  -7.781   0.759
   41   1HB   LEU   4          2HB       LEU   4  -8.681  -9.064   2.749
   42   2HB   LEU   4          1HB       LEU   4  -9.803  -9.895   1.686
   43    HG   LEU   4           HG       LEU   4  -7.153 -10.946   1.258
   44   1HD1  LEU   4          1HD1      LEU   4  -7.715 -10.183   3.980
   45   2HD1  LEU   4          2HD1      LEU   4  -6.280 -10.971   3.330
   46   3HD1  LEU   4          3HD1      LEU   4  -7.654 -11.942   3.853
   47   1HD2  LEU   4          1HD2      LEU   4  -9.880 -11.862   1.987
   48   2HD2  LEU   4          2HD2      LEU   4  -8.552 -12.946   2.405
   49   3HD2  LEU   4          3HD2      LEU   4  -8.794 -12.453   0.729
   50    H    PHE   5           H        PHE   5  -6.826 -10.294  -0.750
   51    HA   PHE   5           HA       PHE   5  -4.283  -9.683   0.562
   52   1HB   PHE   5          2HB       PHE   5  -5.454 -11.628  -1.248
   53   2HB   PHE   5          1HB       PHE   5  -3.856 -11.126  -1.798
   54    HD1  PHE   5           HD1      PHE   5  -5.304 -11.480   1.642
   55    HD2  PHE   5           HD2      PHE   5  -2.322 -12.776  -1.163
   56    HE1  PHE   5           HE1      PHE   5  -4.238 -12.854   3.409
   57    HE2  PHE   5           HE2      PHE   5  -1.257 -14.153   0.602
   58    HZ   PHE   5           HZ       PHE   5  -2.215 -14.191   2.890
   59    H    LYS   6           H        LYS   6  -6.038  -8.610  -2.202
   60    HA   LYS   6           HA       LYS   6  -3.854  -7.506  -3.725
   61   1HB   LYS   6          2HB       LYS   6  -6.666  -7.806  -3.877
   62   2HB   LYS   6          1HB       LYS   6  -6.352  -6.076  -4.008
   63   1HG   LYS   6          2HG       LYS   6  -4.460  -6.858  -5.676
   64   2HG   LYS   6          1HG       LYS   6  -5.464  -8.303  -5.810
   65   1HD   LYS   6          2HD       LYS   6  -6.470  -7.039  -7.447
   66   2HD   LYS   6          1HD       LYS   6  -7.388  -6.446  -6.061
   67   1HE   LYS   6          2HE       LYS   6  -5.541  -4.654  -5.823
   68   2HE   LYS   6          1HE       LYS   6  -5.065  -5.119  -7.467
   69   1HZ   LYS   6          1HZ       LYS   6  -6.751  -3.342  -7.449
   70   2HZ   LYS   6          2HZ       LYS   6  -7.827  -4.386  -6.648
   71   3HZ   LYS   6          3HZ       LYS   6  -7.302  -4.745  -8.223
   72    H    LYS   7           H        LYS   7  -5.420  -6.585  -0.838
   73    HA   LYS   7           HA       LYS   7  -3.942  -3.988  -0.816
   74   1HB   LYS   7          2HB       LYS   7  -6.806  -4.496  -0.911
   75   2HB   LYS   7          1HB       LYS   7  -6.377  -3.600   0.546
   76   1HG   LYS   7          2HG       LYS   7  -6.726  -1.901  -1.044
   77   2HG   LYS   7          1HG       LYS   7  -4.974  -2.105  -1.055
   78   1HD   LYS   7          2HD       LYS   7  -5.695  -3.958  -2.913
   79   2HD   LYS   7          1HD       LYS   7  -6.967  -2.757  -3.147
   80   1HE   LYS   7          2HE       LYS   7  -3.979  -2.180  -3.180
   81   2HE   LYS   7          1HE       LYS   7  -5.041  -2.235  -4.601
   82   1HZ   LYS   7          1HZ       LYS   7  -6.387  -0.639  -2.868
   83   2HZ   LYS   7          2HZ       LYS   7  -5.438  -0.090  -4.164
   84   3HZ   LYS   7          3HZ       LYS   7  -4.777  -0.179  -2.603
   85    H    ILE   8           H        ILE   8  -3.507  -6.677   0.461
   86    HA   ILE   8           HA       ILE   8  -4.298  -6.659   3.214
   87    HB   ILE   8           HB       ILE   8  -3.196  -8.427   1.540
   88   1HG1  ILE   8          2HG1      ILE   8  -2.370  -9.643   3.716
   89   2HG1  ILE   8          1HG1      ILE   8  -3.071  -8.250   4.538
   90   1HG2  ILE   8          1HG2      ILE   8  -1.019  -7.404   1.325
   91   2HG2  ILE   8          2HG2      ILE   8  -0.833  -8.881   2.269
   92   3HG2  ILE   8          3HG2      ILE   8  -0.837  -7.313   3.078
   93   1HD1  ILE   8          1HD1      ILE   8  -4.837  -9.328   2.470
   94   2HD1  ILE   8          2HD1      ILE   8  -5.181  -8.974   4.163
   95   3HD1  ILE   8          3HD1      ILE   8  -4.455 -10.517   3.716
   96    H    GLY   9           H        GLY   9  -1.278  -5.611   1.642
   97   1HA   GLY   9          2HA       GLY   9  -0.852  -3.676   3.848
   98   2HA   GLY   9          1HA       GLY   9   0.408  -4.883   3.595
   99    H    ILE  10           H        ILE  10  -0.919  -1.916   2.473
  100    HA   ILE  10           HA       ILE  10   0.690  -1.926   0.001
  101    HB   ILE  10           HB       ILE  10  -0.481   0.318  -0.215
  102   1HG1  ILE  10          2HG1      ILE  10  -2.183  -0.732   2.052
  103   2HG1  ILE  10          1HG1      ILE  10  -0.961   0.524   2.257
  104   1HG2  ILE  10          1HG2      ILE  10  -2.634  -0.724  -0.827
  105   2HG2  ILE  10          2HG2      ILE  10  -2.180  -2.166   0.081
  106   3HG2  ILE  10          3HG2      ILE  10  -1.272  -1.710  -1.361
  107   1HD1  ILE  10          1HD1      ILE  10  -3.467   1.178   1.761
  108   2HD1  ILE  10          2HD1      ILE  10  -3.010   0.832   0.094
  109   3HD1  ILE  10          3HD1      ILE  10  -2.152   2.075   1.004
  110    H    GLY  11           H        GLY  11   0.429  -0.286   3.073
  111   1HA   GLY  11          2HA       GLY  11   2.321   1.763   2.735
  112   2HA   GLY  11          1HA       GLY  11   2.012   0.978   4.275
  113    H    LYS  12           H        LYS  12   2.776  -1.584   3.656
  114    HA   LYS  12           HA       LYS  12   5.659  -1.434   3.904
  115   1HB   LYS  12          2HB       LYS  12   5.475  -3.829   4.146
  116   2HB   LYS  12          1HB       LYS  12   4.043  -3.138   4.909
  117   1HG   LYS  12          2HG       LYS  12   2.866  -4.553   3.588
  118   2HG   LYS  12          1HG       LYS  12   3.238  -3.425   2.283
  119   1HD   LYS  12          2HD       LYS  12   4.014  -5.442   1.396
  120   2HD   LYS  12          1HD       LYS  12   5.481  -4.784   2.119
  121   1HE   LYS  12          2HE       LYS  12   5.553  -6.887   3.087
  122   2HE   LYS  12          1HE       LYS  12   4.474  -6.115   4.264
  123   1HZ   LYS  12          1HZ       LYS  12   3.557  -7.468   1.783
  124   2HZ   LYS  12          2HZ       LYS  12   2.576  -6.824   3.011
  125   3HZ   LYS  12          3HZ       LYS  12   3.542  -8.186   3.319
  126    H    PHE  13           H        PHE  13   3.623  -1.209   1.263
  127    HA   PHE  13           HA       PHE  13   5.206  -2.684  -0.693
  128   1HB   PHE  13          2HB       PHE  13   2.651  -1.987  -0.534
  129   2HB   PHE  13          1HB       PHE  13   3.234  -0.538  -1.350
  130    HD1  PHE  13           HD1      PHE  13   1.595  -3.343  -2.105
  131    HD2  PHE  13           HD2      PHE  13   5.319  -1.462  -3.113
  132    HE1  PHE  13           HE1      PHE  13   1.632  -4.575  -4.258
  133    HE2  PHE  13           HE2      PHE  13   5.360  -2.694  -5.267
  134    HZ   PHE  13           HZ       PHE  13   3.515  -4.250  -5.839
  135    H    LEU  14           H        LEU  14   4.514   0.726  -0.086
  136    HA   LEU  14           HA       LEU  14   6.519   1.664  -1.961
  137   1HB   LEU  14          2HB       LEU  14   4.603   2.794   0.022
  138   2HB   LEU  14          1HB       LEU  14   5.955   3.823  -0.445
  139    HG   LEU  14           HG       LEU  14   4.194   4.333  -1.981
  140   1HD1  LEU  14          1HD1      LEU  14   5.563   2.339  -3.704
  141   2HD1  LEU  14          2HD1      LEU  14   6.612   3.472  -2.851
  142   3HD1  LEU  14          3HD1      LEU  14   5.358   4.074  -3.937
  143   1HD2  LEU  14          1HD2      LEU  14   2.552   2.772  -2.067
  144   2HD2  LEU  14          2HD2      LEU  14   3.665   1.456  -1.692
  145   3HD2  LEU  14          3HD2      LEU  14   3.513   2.037  -3.350
  146    H    HIS  15           H        HIS  15   6.507   0.768   1.365
  147    HA   HIS  15           HA       HIS  15   8.755   2.227   2.325
  148   1HB   HIS  15          2HB       HIS  15   7.328  -0.323   2.968
  149   2HB   HIS  15          1HB       HIS  15   8.880  -0.026   3.753
  150    HD1  HIS  15           HD1      HIS  15   8.550   3.112   3.948
  151    HD2  HIS  15           HD2      HIS  15   5.720   0.319   5.199
  152    HE1  HIS  15           HE1      HIS  15   7.109   4.279   5.672
  153    H    SER  16           H        SER  16   8.509  -0.252   0.005
  154    HA   SER  16           HA       SER  16  11.167  -1.387   0.281
  155   1HB   SER  16          2HB       SER  16   9.035  -2.373  -0.773
  156   2HB   SER  16          1HB       SER  16   9.379  -1.336  -2.154
  157    HG   SER  16           HG       SER  16  10.280  -3.651  -1.951
  158    H    ALA  17           H        ALA  17   9.715   1.282  -1.404
  159    HA   ALA  17           HA       ALA  17  11.606   1.848  -3.404
  160   1HB   ALA  17          1HB       ALA  17   9.476   3.022  -3.090
  161   2HB   ALA  17          2HB       ALA  17  10.798   4.189  -3.100
  162   3HB   ALA  17          3HB       ALA  17  10.060   3.706  -1.572
  163    H    LYS  18           H        LYS  18  11.947   1.985   0.014
  164    HA   LYS  18           HA       LYS  18  14.189   3.853   0.063
  165   1HB   LYS  18          2HB       LYS  18  12.727   2.048   1.956
  166   2HB   LYS  18          1HB       LYS  18  14.306   2.664   2.440
  167   1HG   LYS  18          2HG       LYS  18  12.510   4.693   1.268
  168   2HG   LYS  18          1HG       LYS  18  11.956   4.018   2.802
  169   1HD   LYS  18          2HD       LYS  18  13.449   5.289   3.898
  170   2HD   LYS  18          1HD       LYS  18  14.759   4.488   3.031
  171   1HE   LYS  18          2HE       LYS  18  15.062   6.261   1.633
  172   2HE   LYS  18          1HE       LYS  18  13.317   6.497   1.418
  173   1HZ   LYS  18          1HZ       LYS  18  13.529   7.138   3.961
  174   2HZ   LYS  18          2HZ       LYS  18  13.746   8.287   2.729
  175   3HZ   LYS  18          3HZ       LYS  18  15.095   7.570   3.475
  176    H    LYS  19           H        LYS  19  13.778   0.541  -0.644
  177    HA   LYS  19           HA       LYS  19  16.519  -0.268   0.068
  178   1HB   LYS  19          2HB       LYS  19  14.526  -1.756  -1.651
  179   2HB   LYS  19          1HB       LYS  19  15.754  -2.426  -0.577
  180   1HG   LYS  19          2HG       LYS  19  14.374  -1.048   1.250
  181   2HG   LYS  19          1HG       LYS  19  13.074  -1.284   0.083
  182   1HD   LYS  19          2HD       LYS  19  14.763  -3.453   1.359
  183   2HD   LYS  19          1HD       LYS  19  13.055  -3.134   1.664
  184   1HE   LYS  19          2HE       LYS  19  12.589  -4.589  -0.011
  185   2HE   LYS  19          1HE       LYS  19  13.275  -3.401  -1.139
  186   1HZ   LYS  19          1HZ       LYS  19  14.359  -5.724  -0.982
  187   2HZ   LYS  19          2HZ       LYS  19  15.047  -5.133   0.456
  188   3HZ   LYS  19          3HZ       LYS  19  15.358  -4.355  -1.022
  189    H    PHE  20           H        PHE  20  15.148   1.499  -2.407
  190    HA   PHE  20           HA       PHE  20  17.272   0.658  -4.352
  191   1HB   PHE  20          2HB       PHE  20  14.592   1.910  -4.996
  192   2HB   PHE  20          1HB       PHE  20  15.675   1.051  -6.092
  193    HD1  PHE  20           HD1      PHE  20  12.682   0.726  -4.435
  194    HD2  PHE  20           HD2      PHE  20  16.365  -1.407  -5.007
  195    HE1  PHE  20           HE1      PHE  20  11.528  -1.405  -3.904
  196    HE2  PHE  20           HE2      PHE  20  15.212  -3.540  -4.475
  197    HZ   PHE  20           HZ       PHE  20  12.794  -3.539  -3.923
  198   1HN   NH2  21          1HN       NH2  21  15.436   3.407  -2.959
  199   2HN   NH2  21          2HN       NH2  21  16.498   4.615  -3.500
  Start of MODEL    9
    1   1H    LYS   1          1H        LYS   1  -5.577   8.944   0.760
    2   2H    LYS   1          2H        LYS   1  -5.170   8.960  -0.889
    3   3H    LYS   1          3H        LYS   1  -6.796   8.839  -0.414
    4    HA   LYS   1           HA       LYS   1  -5.873  11.124  -1.203
    5   1HB   LYS   1          2HB       LYS   1  -8.007  10.150   0.215
    6   2HB   LYS   1          1HB       LYS   1  -7.353  11.332   1.348
    7   1HG   LYS   1          2HG       LYS   1  -8.141  11.851  -1.534
    8   2HG   LYS   1          1HG       LYS   1  -8.982  12.431  -0.097
    9   1HD   LYS   1          2HD       LYS   1  -6.516  13.373   0.442
   10   2HD   LYS   1          1HD       LYS   1  -6.443  13.385  -1.320
   11   1HE   LYS   1          2HE       LYS   1  -7.911  15.123  -1.475
   12   2HE   LYS   1          1HE       LYS   1  -8.968  14.453  -0.217
   13   1HZ   LYS   1          1HZ       LYS   1  -7.470  15.178   1.471
   14   2HZ   LYS   1          2HZ       LYS   1  -7.769  16.513   0.465
   15   3HZ   LYS   1          3HZ       LYS   1  -6.308  15.656   0.331
   16    H    TRP   2           H        TRP   2  -5.603  10.331   2.290
   17    HA   TRP   2           HA       TRP   2  -3.461  12.416   2.503
   18   1HB   TRP   2          2HB       TRP   2  -5.737  11.508   4.118
   19   2HB   TRP   2          1HB       TRP   2  -4.251  11.664   5.055
   20    HD1  TRP   2           HD1      TRP   2  -5.356  13.847   2.075
   21    HE1  TRP   2           HE1      TRP   2  -5.480  16.297   2.866
   22    HE3  TRP   2           HE3      TRP   2  -4.367  13.221   7.045
   23    HZ2  TRP   2           HZ2      TRP   2  -5.193  17.794   5.284
   24    HZ3  TRP   2           HZ3      TRP   2  -4.296  15.175   8.567
   25    HH2  TRP   2           HH2      TRP   2  -4.707  17.459   7.695
   26    H    LYS   3           H        LYS   3  -2.016  11.692   4.606
   27    HA   LYS   3           HA       LYS   3  -0.479   9.422   3.737
   28   1HB   LYS   3          2HB       LYS   3   0.911  10.009   5.575
   29   2HB   LYS   3          1HB       LYS   3   0.175  11.532   5.075
   30   1HG   LYS   3          2HG       LYS   3  -1.686  10.567   6.856
   31   2HG   LYS   3          1HG       LYS   3  -0.173  10.010   7.573
   32   1HD   LYS   3          2HD       LYS   3   0.189  12.703   6.654
   33   2HD   LYS   3          1HD       LYS   3  -1.271  12.636   7.642
   34   1HE   LYS   3          2HE       LYS   3   1.520  11.732   8.439
   35   2HE   LYS   3          1HE       LYS   3   0.560  13.036   9.166
   36   1HZ   LYS   3          1HZ       LYS   3   0.369  10.192   9.568
   37   2HZ   LYS   3          2HZ       LYS   3  -1.128  10.914   9.218
   38   3HZ   LYS   3          3HZ       LYS   3  -0.206  11.459  10.535
   39    H    LEU   4           H        LEU   4  -3.407   9.547   5.396
   40    HA   LEU   4           HA       LEU   4  -3.125   7.466   7.335
   41   1HB   LEU   4          2HB       LEU   4  -5.047   8.808   7.491
   42   2HB   LEU   4          1HB       LEU   4  -5.361   8.710   5.759
   43    HG   LEU   4           HG       LEU   4  -6.035   6.374   5.969
   44   1HD1  LEU   4          1HD1      LEU   4  -5.227   5.132   7.657
   45   2HD1  LEU   4          2HD1      LEU   4  -6.216   6.056   8.788
   46   3HD1  LEU   4          3HD1      LEU   4  -4.569   6.576   8.427
   47   1HD2  LEU   4          1HD2      LEU   4  -7.288   8.337   7.888
   48   2HD2  LEU   4          2HD2      LEU   4  -7.951   6.716   7.677
   49   3HD2  LEU   4          3HD2      LEU   4  -7.873   7.822   6.306
   50    H    PHE   5           H        PHE   5  -3.981   7.412   3.928
   51    HA   PHE   5           HA       PHE   5  -4.615   4.633   3.728
   52   1HB   PHE   5          2HB       PHE   5  -4.200   6.955   2.043
   53   2HB   PHE   5          1HB       PHE   5  -3.491   5.522   1.296
   54    HD1  PHE   5           HD1      PHE   5  -4.860   3.754   0.439
   55    HD2  PHE   5           HD2      PHE   5  -6.616   6.952   2.705
   56    HE1  PHE   5           HE1      PHE   5  -7.123   2.979  -0.219
   57    HE2  PHE   5           HE2      PHE   5  -8.878   6.176   2.048
   58    HZ   PHE   5           HZ       PHE   5  -9.130   4.189   0.586
   59    H    LYS   6           H        LYS   6  -1.626   6.373   3.829
   60    HA   LYS   6           HA       LYS   6   0.063   4.210   2.841
   61   1HB   LYS   6          2HB       LYS   6   0.726   6.525   2.610
   62   2HB   LYS   6          1HB       LYS   6   0.537   6.805   4.341
   63   1HG   LYS   6          2HG       LYS   6   2.329   4.579   3.860
   64   2HG   LYS   6          1HG       LYS   6   2.883   6.019   3.008
   65   1HD   LYS   6          2HD       LYS   6   2.467   7.285   5.203
   66   2HD   LYS   6          1HD       LYS   6   2.346   5.698   5.964
   67   1HE   LYS   6          2HE       LYS   6   4.645   5.340   4.581
   68   2HE   LYS   6          1HE       LYS   6   4.742   7.087   4.880
   69   1HZ   LYS   6          1HZ       LYS   6   3.953   6.443   7.229
   70   2HZ   LYS   6          2HZ       LYS   6   5.586   6.197   6.829
   71   3HZ   LYS   6          3HZ       LYS   6   4.501   4.888   6.833
   72    H    LYS   7           H        LYS   7  -1.717   4.531   5.625
   73    HA   LYS   7           HA       LYS   7   0.274   3.031   7.281
   74   1HB   LYS   7          2HB       LYS   7  -1.545   5.240   7.740
   75   2HB   LYS   7          1HB       LYS   7  -1.903   3.914   8.847
   76   1HG   LYS   7          2HG       LYS   7   0.890   4.053   8.811
   77   2HG   LYS   7          1HG       LYS   7   0.367   5.737   8.840
   78   1HD   LYS   7          2HD       LYS   7   0.445   5.159  11.122
   79   2HD   LYS   7          1HD       LYS   7  -1.260   4.965  10.718
   80   1HE   LYS   7          2HE       LYS   7  -0.878   2.924  11.772
   81   2HE   LYS   7          1HE       LYS   7  -0.428   2.478  10.115
   82   1HZ   LYS   7          1HZ       LYS   7   1.709   3.803  11.458
   83   2HZ   LYS   7          2HZ       LYS   7   1.697   2.284  10.695
   84   3HZ   LYS   7          3HZ       LYS   7   1.219   2.425  12.318
   85    H    ILE   8           H        ILE   8  -2.504   2.682   5.414
   86    HA   ILE   8           HA       ILE   8  -3.970   0.756   7.007
   87    HB   ILE   8           HB       ILE   8  -3.996   1.964   4.301
   88   1HG1  ILE   8          2HG1      ILE   8  -6.513   1.770   4.836
   89   2HG1  ILE   8          1HG1      ILE   8  -6.002   1.183   6.419
   90   1HG2  ILE   8          1HG2      ILE   8  -5.093  -0.822   4.778
   91   2HG2  ILE   8          2HG2      ILE   8  -3.944  -0.326   3.536
   92   3HG2  ILE   8          3HG2      ILE   8  -5.620   0.216   3.454
   93   1HD1  ILE   8          1HD1      ILE   8  -5.920   3.373   7.000
   94   2HD1  ILE   8          2HD1      ILE   8  -5.929   3.908   5.320
   95   3HD1  ILE   8          3HD1      ILE   8  -4.416   3.414   6.080
   96    H    GLY   9           H        GLY   9  -1.958   0.341   4.052
   97   1HA   GLY   9          2HA       GLY   9  -0.630  -1.996   5.173
   98   2HA   GLY   9          1HA       GLY   9  -1.837  -2.434   3.962
   99    H    ILE  10           H        ILE  10  -1.535  -0.257   2.212
  100    HA   ILE  10           HA       ILE  10   0.456  -1.055   0.453
  101    HB   ILE  10           HB       ILE  10   0.222   1.420  -0.272
  102   1HG1  ILE  10          2HG1      ILE  10  -2.127   1.400   1.592
  103   2HG1  ILE  10          1HG1      ILE  10  -0.563   1.994   2.152
  104   1HG2  ILE  10          1HG2      ILE  10  -2.458   0.147  -0.069
  105   2HG2  ILE  10          2HG2      ILE  10  -1.179  -0.783  -0.852
  106   3HG2  ILE  10          3HG2      ILE  10  -1.632   0.800  -1.484
  107   1HD1  ILE  10          1HD1      ILE  10  -0.578   3.405  -0.038
  108   2HD1  ILE  10          2HD1      ILE  10  -1.586   3.936   1.308
  109   3HD1  ILE  10          3HD1      ILE  10  -2.310   3.075  -0.049
  110    H    GLY  11           H        GLY  11   0.683   1.081   3.167
  111   1HA   GLY  11          2HA       GLY  11   3.035   2.465   2.787
  112   2HA   GLY  11          1HA       GLY  11   2.606   1.793   4.352
  113    H    LYS  12           H        LYS  12   2.729  -0.903   3.700
  114    HA   LYS  12           HA       LYS  12   5.543  -1.441   3.967
  115   1HB   LYS  12          2HB       LYS  12   4.824  -3.675   4.236
  116   2HB   LYS  12          1HB       LYS  12   3.417  -2.743   4.747
  117   1HG   LYS  12          2HG       LYS  12   2.435  -2.984   2.495
  118   2HG   LYS  12          1HG       LYS  12   3.846  -3.899   1.973
  119   1HD   LYS  12          2HD       LYS  12   3.359  -5.599   3.725
  120   2HD   LYS  12          1HD       LYS  12   1.899  -4.705   4.152
  121   1HE   LYS  12          2HE       LYS  12   1.231  -4.928   1.670
  122   2HE   LYS  12          1HE       LYS  12   2.506  -6.160   1.570
  123   1HZ   LYS  12          1HZ       LYS  12   0.731  -7.418   2.264
  124   2HZ   LYS  12          2HZ       LYS  12   0.043  -6.162   3.179
  125   3HZ   LYS  12          3HZ       LYS  12   1.408  -6.991   3.758
  126    H    PHE  13           H        PHE  13   3.350  -1.339   1.283
  127    HA   PHE  13           HA       PHE  13   4.852  -2.786  -0.667
  128   1HB   PHE  13          2HB       PHE  13   2.426  -1.787  -0.590
  129   2HB   PHE  13          1HB       PHE  13   3.192  -0.358  -1.269
  130    HD1  PHE  13           HD1      PHE  13   5.327  -2.589  -2.538
  131    HD2  PHE  13           HD2      PHE  13   1.139  -1.675  -2.842
  132    HE1  PHE  13           HE1      PHE  13   5.267  -3.609  -4.799
  133    HE2  PHE  13           HE2      PHE  13   1.081  -2.695  -5.100
  134    HZ   PHE  13           HZ       PHE  13   3.144  -3.660  -6.080
  135    H    LEU  14           H        LEU  14   4.662   0.654   0.019
  136    HA   LEU  14           HA       LEU  14   6.723   1.427  -1.848
  137   1HB   LEU  14          2HB       LEU  14   4.726   2.651  -0.473
  138   2HB   LEU  14          1HB       LEU  14   6.116   3.128   0.500
  139    HG   LEU  14           HG       LEU  14   7.222   4.079  -1.431
  140   1HD1  LEU  14          1HD1      LEU  14   5.060   2.603  -2.876
  141   2HD1  LEU  14          2HD1      LEU  14   6.768   2.773  -3.284
  142   3HD1  LEU  14          3HD1      LEU  14   5.652   4.106  -3.586
  143   1HD2  LEU  14          1HD2      LEU  14   4.707   4.967  -0.430
  144   2HD2  LEU  14          2HD2      LEU  14   4.723   5.288  -2.164
  145   3HD2  LEU  14          3HD2      LEU  14   5.996   5.944  -1.134
  146    H    HIS  15           H        HIS  15   6.853  -0.001   1.239
  147    HA   HIS  15           HA       HIS  15   9.202   1.172   2.346
  148   1HB   HIS  15          2HB       HIS  15   7.440  -1.020   2.804
  149   2HB   HIS  15          1HB       HIS  15   9.084  -1.658   2.840
  150    HD1  HIS  15           HD1      HIS  15  10.234   1.201   3.906
  151    HD2  HIS  15           HD2      HIS  15   7.265  -1.134   5.667
  152    HE1  HIS  15           HE1      HIS  15  10.160   1.861   6.350
  153    H    SER  16           H        SER  16   8.708  -0.861  -0.364
  154    HA   SER  16           HA       SER  16  11.386  -1.980  -0.533
  155   1HB   SER  16          2HB       SER  16   9.360  -2.993  -1.546
  156   2HB   SER  16          1HB       SER  16   9.183  -1.576  -2.578
  157    HG   SER  16           HG       SER  16  10.536  -2.504  -3.874
  158    H    ALA  17           H        ALA  17   9.762   0.904  -1.585
  159    HA   ALA  17           HA       ALA  17  11.779   1.768  -3.481
  160   1HB   ALA  17          1HB       ALA  17   9.261   2.680  -2.313
  161   2HB   ALA  17          2HB       ALA  17   9.925   3.003  -3.915
  162   3HB   ALA  17          3HB       ALA  17  10.403   4.005  -2.544
  163    H    LYS  18           H        LYS  18  11.436   1.891  -0.040
  164    HA   LYS  18           HA       LYS  18  13.207   4.108   0.495
  165   1HB   LYS  18          2HB       LYS  18  12.048   1.772   1.969
  166   2HB   LYS  18          1HB       LYS  18  13.381   2.649   2.720
  167   1HG   LYS  18          2HG       LYS  18  11.780   4.707   1.861
  168   2HG   LYS  18          1HG       LYS  18  10.588   3.482   2.302
  169   1HD   LYS  18          2HD       LYS  18  10.910   3.958   4.475
  170   2HD   LYS  18          1HD       LYS  18  12.604   3.492   4.321
  171   1HE   LYS  18          2HE       LYS  18  12.505   5.801   5.114
  172   2HE   LYS  18          1HE       LYS  18  13.078   5.817   3.434
  173   1HZ   LYS  18          1HZ       LYS  18  10.250   5.752   3.490
  174   2HZ   LYS  18          2HZ       LYS  18  11.273   6.927   2.813
  175   3HZ   LYS  18          3HZ       LYS  18  10.796   7.048   4.439
  176    H    LYS  19           H        LYS  19  13.624   0.760  -0.233
  177    HA   LYS  19           HA       LYS  19  16.504   0.710   0.440
  178   1HB   LYS  19          2HB       LYS  19  15.139  -1.439  -1.137
  179   2HB   LYS  19          1HB       LYS  19  16.256  -1.589   0.219
  180   1HG   LYS  19          2HG       LYS  19  14.230  -0.424   1.517
  181   2HG   LYS  19          1HG       LYS  19  13.301  -1.190   0.228
  182   1HD   LYS  19          2HD       LYS  19  13.741  -3.310   0.984
  183   2HD   LYS  19          1HD       LYS  19  15.364  -2.888   1.529
  184   1HE   LYS  19          2HE       LYS  19  13.860  -1.404   3.262
  185   2HE   LYS  19          1HE       LYS  19  12.806  -2.811   3.020
  186   1HZ   LYS  19          1HZ       LYS  19  15.717  -3.038   3.542
  187   2HZ   LYS  19          2HZ       LYS  19  14.560  -4.281   3.562
  188   3HZ   LYS  19          3HZ       LYS  19  14.557  -3.092   4.777
  189    H    PHE  20           H        PHE  20  15.038   2.333  -1.789
  190    HA   PHE  20           HA       PHE  20  15.578   1.611  -4.372
  191   1HB   PHE  20          2HB       PHE  20  16.076   4.186  -4.523
  192   2HB   PHE  20          1HB       PHE  20  14.490   3.640  -4.012
  193    HD1  PHE  20           HD1      PHE  20  13.923   5.589  -2.691
  194    HD2  PHE  20           HD2      PHE  20  17.525   3.392  -1.884
  195    HE1  PHE  20           HE1      PHE  20  14.192   6.810  -0.550
  196    HE2  PHE  20           HE2      PHE  20  17.794   4.614   0.250
  197    HZ   PHE  20           HZ       PHE  20  16.128   6.322   0.921
  198   1HN   NH2  21          1HN       NH2  21  17.472   2.847  -5.740
  199   2HN   NH2  21          2HN       NH2  21  19.046   2.542  -5.179
  Start of MODEL   10
    1   1H    LYS   1          1H        LYS   1 -13.530  -6.544   9.042
    2   2H    LYS   1          2H        LYS   1 -14.369  -5.191   8.449
    3   3H    LYS   1          3H        LYS   1 -13.203  -5.003   9.669
    4    HA   LYS   1           HA       LYS   1 -11.486  -4.983   8.226
    5   1HB   LYS   1          2HB       LYS   1 -11.512  -6.621   6.307
    6   2HB   LYS   1          1HB       LYS   1 -11.768  -7.378   7.879
    7   1HG   LYS   1          2HG       LYS   1 -14.325  -6.606   6.996
    8   2HG   LYS   1          1HG       LYS   1 -13.534  -7.312   5.586
    9   1HD   LYS   1          2HD       LYS   1 -13.429  -9.398   6.519
   10   2HD   LYS   1          1HD       LYS   1 -13.164  -8.769   8.146
   11   1HE   LYS   1          2HE       LYS   1 -15.342  -9.305   8.543
   12   2HE   LYS   1          1HE       LYS   1 -15.754  -7.917   7.514
   13   1HZ   LYS   1          1HZ       LYS   1 -16.536 -10.323   6.875
   14   2HZ   LYS   1          2HZ       LYS   1 -14.968 -10.434   6.231
   15   3HZ   LYS   1          3HZ       LYS   1 -16.033  -9.228   5.682
   16    H    TRP   2           H        TRP   2 -11.043  -4.001   6.067
   17    HA   TRP   2           HA       TRP   2 -13.423  -2.957   4.616
   18   1HB   TRP   2          2HB       TRP   2 -12.525  -1.494   6.610
   19   2HB   TRP   2          1HB       TRP   2 -11.230  -1.092   5.483
   20    HD1  TRP   2           HD1      TRP   2 -11.812   1.246   4.638
   21    HE1  TRP   2           HE1      TRP   2 -13.872   2.332   3.533
   22    HE3  TRP   2           HE3      TRP   2 -15.175  -2.576   5.087
   23    HZ2  TRP   2           HZ2      TRP   2 -16.585   1.669   2.919
   24    HZ3  TRP   2           HZ3      TRP   2 -17.484  -2.322   4.232
   25    HH2  TRP   2           HH2      TRP   2 -18.194  -0.207   3.150
   26    H    LYS   3           H        LYS   3 -12.184  -1.227   2.912
   27    HA   LYS   3           HA       LYS   3 -10.807  -2.958   1.078
   28   1HB   LYS   3          2HB       LYS   3 -11.613  -0.102   1.314
   29   2HB   LYS   3          1HB       LYS   3 -10.340  -0.465   0.147
   30   1HG   LYS   3          2HG       LYS   3 -11.739  -2.053  -1.003
   31   2HG   LYS   3          1HG       LYS   3 -12.971  -1.961   0.255
   32   1HD   LYS   3          2HD       LYS   3 -12.116   0.401  -1.438
   33   2HD   LYS   3          1HD       LYS   3 -13.516  -0.610  -1.799
   34   1HE   LYS   3          2HE       LYS   3 -14.131  -0.072   0.740
   35   2HE   LYS   3          1HE       LYS   3 -13.129   1.358   0.429
   36   1HZ   LYS   3          1HZ       LYS   3 -14.971   2.160  -0.545
   37   2HZ   LYS   3          2HZ       LYS   3 -15.693   0.631  -0.696
   38   3HZ   LYS   3          3HZ       LYS   3 -14.555   1.153  -1.844
   39    H    LEU   4           H        LEU   4  -9.699  -1.389   3.851
   40    HA   LEU   4           HA       LEU   4  -7.159  -0.385   3.221
   41   1HB   LEU   4          2HB       LEU   4  -7.933  -0.171   5.444
   42   2HB   LEU   4          1HB       LEU   4  -8.326  -1.886   5.558
   43    HG   LEU   4           HG       LEU   4  -5.995  -2.492   5.632
   44   1HD1  LEU   4          1HD1      LEU   4  -5.683   0.188   4.490
   45   2HD1  LEU   4          2HD1      LEU   4  -4.612  -1.209   4.384
   46   3HD1  LEU   4          3HD1      LEU   4  -4.533  -0.142   5.787
   47   1HD2  LEU   4          1HD2      LEU   4  -5.386  -0.503   7.496
   48   2HD2  LEU   4          2HD2      LEU   4  -6.212  -2.025   7.832
   49   3HD2  LEU   4          3HD2      LEU   4  -7.149  -0.568   7.500
   50    H    PHE   5           H        PHE   5  -8.245  -3.685   3.515
   51    HA   PHE   5           HA       PHE   5  -5.560  -4.832   3.180
   52   1HB   PHE   5          2HB       PHE   5  -8.157  -5.611   4.082
   53   2HB   PHE   5          1HB       PHE   5  -7.693  -6.698   2.776
   54    HD1  PHE   5           HD1      PHE   5  -5.042  -7.356   2.901
   55    HD2  PHE   5           HD2      PHE   5  -7.550  -6.292   6.223
   56    HE1  PHE   5           HE1      PHE   5  -3.524  -8.575   4.438
   57    HE2  PHE   5           HE2      PHE   5  -6.031  -7.509   7.760
   58    HZ   PHE   5           HZ       PHE   5  -4.020  -8.652   6.867
   59    H    LYS   6           H        LYS   6  -8.221  -3.866   1.225
   60    HA   LYS   6           HA       LYS   6  -7.716  -5.526  -1.083
   61   1HB   LYS   6          2HB       LYS   6  -9.156  -2.922  -0.556
   62   2HB   LYS   6          1HB       LYS   6  -9.111  -3.644  -2.164
   63   1HG   LYS   6          2HG       LYS   6  -9.863  -5.448   0.077
   64   2HG   LYS   6          1HG       LYS   6 -11.043  -4.217  -0.374
   65   1HD   LYS   6          2HD       LYS   6 -11.129  -4.999  -2.638
   66   2HD   LYS   6          1HD       LYS   6  -9.726  -6.042  -2.397
   67   1HE   LYS   6          2HE       LYS   6 -10.941  -7.579  -1.075
   68   2HE   LYS   6          1HE       LYS   6 -12.233  -6.408  -0.746
   69   1HZ   LYS   6          1HZ       LYS   6 -13.213  -7.470  -2.471
   70   2HZ   LYS   6          2HZ       LYS   6 -11.743  -8.005  -3.135
   71   3HZ   LYS   6          3HZ       LYS   6 -12.265  -6.409  -3.392
   72    H    LYS   7           H        LYS   7  -6.221  -2.718   0.200
   73    HA   LYS   7           HA       LYS   7  -4.567  -2.455  -2.288
   74   1HB   LYS   7          2HB       LYS   7  -6.207  -0.536  -0.794
   75   2HB   LYS   7          1HB       LYS   7  -4.550   0.023  -1.024
   76   1HG   LYS   7          2HG       LYS   7  -6.066  -1.160  -3.337
   77   2HG   LYS   7          1HG       LYS   7  -6.328   0.524  -2.882
   78   1HD   LYS   7          2HD       LYS   7  -3.497  -0.372  -3.090
   79   2HD   LYS   7          1HD       LYS   7  -4.393  -0.221  -4.603
   80   1HE   LYS   7          2HE       LYS   7  -4.981   2.100  -4.067
   81   2HE   LYS   7          1HE       LYS   7  -4.157   1.964  -2.500
   82   1HZ   LYS   7          1HZ       LYS   7  -3.026   2.146  -5.175
   83   2HZ   LYS   7          2HZ       LYS   7  -2.275   1.036  -4.130
   84   3HZ   LYS   7          3HZ       LYS   7  -2.393   2.674  -3.694
   85    H    ILE   8           H        ILE   8  -4.286  -3.842   0.456
   86    HA   ILE   8           HA       ILE   8  -2.411  -2.576   2.129
   87    HB   ILE   8           HB       ILE   8  -3.496  -5.193   1.571
   88   1HG1  ILE   8          2HG1      ILE   8  -3.790  -3.847   3.637
   89   2HG1  ILE   8          1HG1      ILE   8  -3.175  -5.463   3.989
   90   1HG2  ILE   8          1HG2      ILE   8  -0.589  -5.210   2.438
   91   2HG2  ILE   8          2HG2      ILE   8  -1.168  -5.742   0.860
   92   3HG2  ILE   8          3HG2      ILE   8  -1.653  -6.611   2.315
   93   1HD1  ILE   8          1HD1      ILE   8  -1.958  -2.901   4.548
   94   2HD1  ILE   8          2HD1      ILE   8  -0.900  -3.861   3.513
   95   3HD1  ILE   8          3HD1      ILE   8  -1.441  -4.508   5.062
   96    H    GLY   9           H        GLY   9  -2.037  -3.722  -1.098
   97   1HA   GLY   9          2HA       GLY   9   0.856  -4.056  -1.010
   98   2HA   GLY   9          1HA       GLY   9  -0.134  -4.001  -2.471
   99    H    ILE  10           H        ILE  10   0.577  -1.705   0.187
  100    HA   ILE  10           HA       ILE  10   1.799   0.193  -1.667
  101    HB   ILE  10           HB       ILE  10  -0.723   0.221  -1.970
  102   1HG1  ILE  10          2HG1      ILE  10  -0.745   2.848  -1.550
  103   2HG1  ILE  10          1HG1      ILE  10   0.980   2.583  -1.305
  104   1HG2  ILE  10          1HG2      ILE  10  -1.268  -0.088   0.412
  105   2HG2  ILE  10          2HG2      ILE  10  -2.047   1.341  -0.264
  106   3HG2  ILE  10          3HG2      ILE  10  -0.616   1.514   0.752
  107   1HD1  ILE  10          1HD1      ILE  10  -0.337   2.857  -3.769
  108   2HD1  ILE  10          2HD1      ILE  10   0.032   1.138  -3.637
  109   3HD1  ILE  10          3HD1      ILE  10   1.327   2.330  -3.517
  110    H    GLY  11           H        GLY  11   0.253  -0.257   1.432
  111   1HA   GLY  11          2HA       GLY  11   1.513   1.833   2.869
  112   2HA   GLY  11          1HA       GLY  11   0.963   0.337   3.603
  113    H    LYS  12           H        LYS  12   2.405  -1.559   3.180
  114    HA   LYS  12           HA       LYS  12   5.151  -0.851   3.898
  115   1HB   LYS  12          2HB       LYS  12   3.652  -3.444   3.442
  116   2HB   LYS  12          1HB       LYS  12   5.335  -3.383   3.968
  117   1HG   LYS  12          2HG       LYS  12   4.591  -1.935   5.899
  118   2HG   LYS  12          1HG       LYS  12   2.925  -2.265   5.424
  119   1HD   LYS  12          2HD       LYS  12   2.992  -4.215   6.538
  120   2HD   LYS  12          1HD       LYS  12   4.318  -4.756   5.509
  121   1HE   LYS  12          2HE       LYS  12   5.969  -3.953   7.012
  122   2HE   LYS  12          1HE       LYS  12   4.806  -2.918   7.866
  123   1HZ   LYS  12          1HZ       LYS  12   4.801  -5.891   7.782
  124   2HZ   LYS  12          2HZ       LYS  12   3.579  -4.944   8.486
  125   3HZ   LYS  12          3HZ       LYS  12   5.150  -4.924   9.131
  126    H    PHE  13           H        PHE  13   3.483  -1.185   0.985
  127    HA   PHE  13           HA       PHE  13   5.463  -2.509  -0.639
  128   1HB   PHE  13          2HB       PHE  13   2.907  -1.292  -0.862
  129   2HB   PHE  13          1HB       PHE  13   3.945  -0.508  -2.049
  130    HD1  PHE  13           HD1      PHE  13   2.913  -3.871  -0.782
  131    HD2  PHE  13           HD2      PHE  13   4.428  -1.582  -4.086
  132    HE1  PHE  13           HE1      PHE  13   2.713  -5.862  -2.253
  133    HE2  PHE  13           HE2      PHE  13   4.228  -3.573  -5.557
  134    HZ   PHE  13           HZ       PHE  13   3.370  -5.711  -4.639
  135    H    LEU  14           H        LEU  14   4.936   0.742   0.481
  136    HA   LEU  14           HA       LEU  14   7.013   1.943  -1.191
  137   1HB   LEU  14          2HB       LEU  14   4.834   2.743   0.445
  138   2HB   LEU  14          1HB       LEU  14   6.281   3.480   1.137
  139    HG   LEU  14           HG       LEU  14   6.829   4.568  -0.918
  140   1HD1  LEU  14          1HD1      LEU  14   6.518   3.063  -2.652
  141   2HD1  LEU  14          2HD1      LEU  14   5.104   4.090  -2.892
  142   3HD1  LEU  14          3HD1      LEU  14   4.939   2.545  -2.058
  143   1HD2  LEU  14          1HD2      LEU  14   5.212   6.124  -0.670
  144   2HD2  LEU  14          2HD2      LEU  14   4.365   4.983   0.374
  145   3HD2  LEU  14          3HD2      LEU  14   3.994   5.043  -1.349
  146    H    HIS  15           H        HIS  15   6.940   0.127   1.669
  147    HA   HIS  15           HA       HIS  15   9.144   1.250   3.109
  148   1HB   HIS  15          2HB       HIS  15   7.315  -0.795   3.397
  149   2HB   HIS  15          1HB       HIS  15   8.806  -1.685   3.108
  150    HD1  HIS  15           HD1      HIS  15  10.189   1.093   4.606
  151    HD2  HIS  15           HD2      HIS  15   7.743  -1.918   6.135
  152    HE1  HIS  15           HE1      HIS  15  10.534   1.095   7.113
  153    H    SER  16           H        SER  16   8.822  -0.855   0.374
  154    HA   SER  16           HA       SER  16  11.616  -1.661   0.238
  155   1HB   SER  16          2HB       SER  16   9.369  -2.728  -0.660
  156   2HB   SER  16          1HB       SER  16   9.695  -1.708  -2.058
  157    HG   SER  16           HG       SER  16  11.011  -3.957  -1.124
  158    H    ALA  17           H        ALA  17   9.623   0.880  -1.102
  159    HA   ALA  17           HA       ALA  17  11.186   1.793  -3.241
  160   1HB   ALA  17          1HB       ALA  17  10.268   4.087  -2.422
  161   2HB   ALA  17          2HB       ALA  17   9.494   3.148  -1.148
  162   3HB   ALA  17          3HB       ALA  17   9.100   2.834  -2.838
  163    H    LYS  18           H        LYS  18  11.881   1.814   0.136
  164    HA   LYS  18           HA       LYS  18  13.867   3.915   0.138
  165   1HB   LYS  18          2HB       LYS  18  12.529   2.350   1.977
  166   2HB   LYS  18          1HB       LYS  18  14.166   1.697   2.054
  167   1HG   LYS  18          2HG       LYS  18  14.642   3.426   3.427
  168   2HG   LYS  18          1HG       LYS  18  14.575   4.444   1.988
  169   1HD   LYS  18          2HD       LYS  18  12.045   3.750   3.463
  170   2HD   LYS  18          1HD       LYS  18  13.073   5.062   4.039
  171   1HE   LYS  18          2HE       LYS  18  12.222   4.931   1.141
  172   2HE   LYS  18          1HE       LYS  18  11.193   5.692   2.370
  173   1HZ   LYS  18          1HZ       LYS  18  14.031   6.348   1.782
  174   2HZ   LYS  18          2HZ       LYS  18  13.150   6.985   3.088
  175   3HZ   LYS  18          3HZ       LYS  18  12.685   7.339   1.493
  176    H    LYS  19           H        LYS  19  13.824   0.638  -0.901
  177    HA   LYS  19           HA       LYS  19  16.741   0.277  -0.829
  178   1HB   LYS  19          2HB       LYS  19  15.209  -1.586  -0.391
  179   2HB   LYS  19          1HB       LYS  19  14.450  -1.349  -1.965
  180   1HG   LYS  19          2HG       LYS  19  15.942  -2.848  -2.757
  181   2HG   LYS  19          1HG       LYS  19  17.146  -1.570  -2.587
  182   1HD   LYS  19          2HD       LYS  19  17.877  -3.635  -1.443
  183   2HD   LYS  19          1HD       LYS  19  17.632  -2.322  -0.290
  184   1HE   LYS  19          2HE       LYS  19  15.843  -3.360   0.705
  185   2HE   LYS  19          1HE       LYS  19  15.250  -4.024  -0.831
  186   1HZ   LYS  19          1HZ       LYS  19  17.341  -5.435  -0.792
  187   2HZ   LYS  19          2HZ       LYS  19  16.124  -5.858   0.317
  188   3HZ   LYS  19          3HZ       LYS  19  17.493  -4.998   0.841
  189    H    PHE  20           H        PHE  20  14.372   1.477  -3.015
  190    HA   PHE  20           HA       PHE  20  16.326   1.331  -5.286
  191   1HB   PHE  20          2HB       PHE  20  13.335   1.827  -5.366
  192   2HB   PHE  20          1HB       PHE  20  14.383   1.392  -6.716
  193    HD1  PHE  20           HD1      PHE  20  15.142  -0.879  -7.042
  194    HD2  PHE  20           HD2      PHE  20  12.779   0.173  -3.616
  195    HE1  PHE  20           HE1      PHE  20  14.774  -3.284  -6.560
  196    HE2  PHE  20           HE2      PHE  20  12.410  -2.229  -3.132
  197    HZ   PHE  20           HZ       PHE  20  13.408  -3.959  -4.604
  198   1HN   NH2  21          1HN       NH2  21  16.245   3.440  -3.085
  199   2HN   NH2  21          2HN       NH2  21  16.009   4.913  -3.896
  Start of MODEL   11
    1   1H    LYS   1          1H        LYS   1 -13.229  -1.363 -11.255
    2   2H    LYS   1          2H        LYS   1 -13.354  -2.136  -9.748
    3   3H    LYS   1          3H        LYS   1 -11.980  -2.377 -10.719
    4    HA   LYS   1           HA       LYS   1 -11.350  -0.049 -10.450
    5   1HB   LYS   1          2HB       LYS   1 -14.122  -0.058  -9.583
    6   2HB   LYS   1          1HB       LYS   1 -13.094   0.725  -8.381
    7   1HG   LYS   1          2HG       LYS   1 -12.278   2.308  -9.950
    8   2HG   LYS   1          1HG       LYS   1 -12.887   1.380 -11.321
    9   1HD   LYS   1          2HD       LYS   1 -14.996   2.213 -11.112
   10   2HD   LYS   1          1HD       LYS   1 -14.941   2.166  -9.348
   11   1HE   LYS   1          2HE       LYS   1 -13.148   4.153 -10.654
   12   2HE   LYS   1          1HE       LYS   1 -14.887   4.494 -10.719
   13   1HZ   LYS   1          1HZ       LYS   1 -14.966   4.841  -8.530
   14   2HZ   LYS   1          2HZ       LYS   1 -13.270   4.909  -8.560
   15   3HZ   LYS   1          3HZ       LYS   1 -14.056   3.453  -8.181
   16    H    TRP   2           H        TRP   2  -9.831   0.324  -8.788
   17    HA   TRP   2           HA       TRP   2 -10.042  -1.395  -6.348
   18   1HB   TRP   2          2HB       TRP   2  -7.530  -1.741  -6.708
   19   2HB   TRP   2          1HB       TRP   2  -8.597  -2.565  -7.844
   20    HD1  TRP   2           HD1      TRP   2  -5.902   0.022  -7.633
   21    HE1  TRP   2           HE1      TRP   2  -5.388   0.949  -9.983
   22    HE3  TRP   2           HE3      TRP   2  -9.810  -1.975 -10.241
   23    HZ2  TRP   2           HZ2      TRP   2  -6.486   0.853 -12.623
   24    HZ3  TRP   2           HZ3      TRP   2 -10.051  -1.544 -12.672
   25    HH2  TRP   2           HH2      TRP   2  -8.395  -0.133 -13.865
   26    H    LYS   3           H        LYS   3 -10.637   1.351  -6.565
   27    HA   LYS   3           HA       LYS   3  -8.496   3.106  -5.855
   28   1HB   LYS   3          2HB       LYS   3 -11.468   3.050  -5.745
   29   2HB   LYS   3          1HB       LYS   3 -10.657   4.274  -4.767
   30   1HG   LYS   3          2HG       LYS   3  -9.578   4.023  -7.493
   31   2HG   LYS   3          1HG       LYS   3 -11.260   4.553  -7.435
   32   1HD   LYS   3          2HD       LYS   3 -10.725   6.424  -6.047
   33   2HD   LYS   3          1HD       LYS   3  -9.105   5.806  -5.723
   34   1HE   LYS   3          2HE       LYS   3 -10.158   6.833  -8.382
   35   2HE   LYS   3          1HE       LYS   3  -8.872   7.548  -7.388
   36   1HZ   LYS   3          1HZ       LYS   3  -7.557   6.257  -8.667
   37   2HZ   LYS   3          2HZ       LYS   3  -8.804   5.180  -9.074
   38   3HZ   LYS   3          3HZ       LYS   3  -8.013   5.042  -7.577
   39    H    LEU   4           H        LEU   4 -10.920   1.541  -3.818
   40    HA   LEU   4           HA       LEU   4  -9.907   2.383  -1.292
   41   1HB   LEU   4          2HB       LEU   4 -11.228   0.338  -0.528
   42   2HB   LEU   4          1HB       LEU   4 -12.123   1.485  -1.526
   43    HG   LEU   4           HG       LEU   4 -10.694  -0.473  -3.142
   44   1HD1  LEU   4          1HD1      LEU   4 -11.686  -1.532  -0.769
   45   2HD1  LEU   4          2HD1      LEU   4 -11.359  -2.438  -2.247
   46   3HD1  LEU   4          3HD1      LEU   4 -12.981  -1.827  -1.927
   47   1HD2  LEU   4          1HD2      LEU   4 -12.499  -0.120  -4.467
   48   2HD2  LEU   4          2HD2      LEU   4 -12.936   1.145  -3.319
   49   3HD2  LEU   4          3HD2      LEU   4 -13.627  -0.470  -3.158
   50    H    PHE   5           H        PHE   5  -8.818  -0.031  -3.482
   51    HA   PHE   5           HA       PHE   5  -7.440  -1.732  -1.595
   52   1HB   PHE   5          2HB       PHE   5  -7.950  -1.475  -4.420
   53   2HB   PHE   5          1HB       PHE   5  -6.253  -1.868  -4.147
   54    HD1  PHE   5           HD1      PHE   5  -9.549  -2.811  -2.595
   55    HD2  PHE   5           HD2      PHE   5  -5.782  -4.138  -4.177
   56    HE1  PHE   5           HE1      PHE   5 -10.165  -5.163  -2.099
   57    HE2  PHE   5           HE2      PHE   5  -6.399  -6.491  -3.683
   58    HZ   PHE   5           HZ       PHE   5  -8.592  -7.003  -2.641
   59    H    LYS   6           H        LYS   6  -6.737   1.293  -3.031
   60    HA   LYS   6           HA       LYS   6  -3.886   1.265  -3.068
   61   1HB   LYS   6          2HB       LYS   6  -6.104   3.233  -3.042
   62   2HB   LYS   6          1HB       LYS   6  -4.526   3.851  -2.555
   63   1HG   LYS   6          2HG       LYS   6  -4.016   2.247  -4.802
   64   2HG   LYS   6          1HG       LYS   6  -5.473   3.154  -5.208
   65   1HD   LYS   6          2HD       LYS   6  -3.730   4.599  -5.870
   66   2HD   LYS   6          1HD       LYS   6  -4.191   5.212  -4.282
   67   1HE   LYS   6          2HE       LYS   6  -1.857   5.079  -4.064
   68   2HE   LYS   6          1HE       LYS   6  -2.350   3.493  -3.438
   69   1HZ   LYS   6          1HZ       LYS   6  -0.632   3.318  -5.176
   70   2HZ   LYS   6          2HZ       LYS   6  -1.688   4.061  -6.280
   71   3HZ   LYS   6          3HZ       LYS   6  -2.077   2.546  -5.617
   72    H    LYS   7           H        LYS   7  -5.962   1.010  -0.401
   73    HA   LYS   7           HA       LYS   7  -3.825   2.040   1.431
   74   1HB   LYS   7          2HB       LYS   7  -6.844   1.965   1.680
   75   2HB   LYS   7          1HB       LYS   7  -5.766   2.446   2.991
   76   1HG   LYS   7          2HG       LYS   7  -5.043   4.379   1.857
   77   2HG   LYS   7          1HG       LYS   7  -5.585   3.773   0.290
   78   1HD   LYS   7          2HD       LYS   7  -7.310   5.242   0.753
   79   2HD   LYS   7          1HD       LYS   7  -7.955   3.783   1.506
   80   1HE   LYS   7          2HE       LYS   7  -6.933   4.527   3.687
   81   2HE   LYS   7          1HE       LYS   7  -6.497   6.056   2.900
   82   1HZ   LYS   7          1HZ       LYS   7  -8.918   5.488   4.023
   83   2HZ   LYS   7          2HZ       LYS   7  -9.201   5.262   2.363
   84   3HZ   LYS   7          3HZ       LYS   7  -8.604   6.747   2.932
   85    H    ILE   8           H        ILE   8  -5.495  -0.708   0.378
   86    HA   ILE   8           HA       ILE   8  -5.402  -2.154   2.941
   87    HB   ILE   8           HB       ILE   8  -6.314  -2.633   0.124
   88   1HG1  ILE   8          2HG1      ILE   8  -8.259  -3.576   1.665
   89   2HG1  ILE   8          1HG1      ILE   8  -7.445  -2.612   2.900
   90   1HG2  ILE   8          1HG2      ILE   8  -5.397  -4.745   0.280
   91   2HG2  ILE   8          2HG2      ILE   8  -6.892  -5.034   1.169
   92   3HG2  ILE   8          3HG2      ILE   8  -5.391  -4.727   2.043
   93   1HD1  ILE   8          1HD1      ILE   8  -8.854  -1.718   0.418
   94   2HD1  ILE   8          2HD1      ILE   8  -7.474  -0.772   0.979
   95   3HD1  ILE   8          3HD1      ILE   8  -8.869  -1.010   2.033
   96    H    GLY   9           H        GLY   9  -3.322  -1.659   0.184
   97   1HA   GLY   9          2HA       GLY   9  -1.234  -3.266   1.476
   98   2HA   GLY   9          1HA       GLY   9  -1.782  -3.904  -0.074
   99    H    ILE  10           H        ILE  10  -0.677  -0.808   1.356
  100    HA   ILE  10           HA       ILE  10   1.052  -0.432  -1.024
  101    HB   ILE  10           HB       ILE  10  -1.345   0.618  -1.080
  102   1HG1  ILE  10          2HG1      ILE  10  -0.325   2.651  -2.267
  103   2HG1  ILE  10          1HG1      ILE  10   1.243   1.996  -1.797
  104   1HG2  ILE  10          1HG2      ILE  10   0.200   2.566   0.643
  105   2HG2  ILE  10          2HG2      ILE  10  -1.292   1.729   1.070
  106   3HG2  ILE  10          3HG2      ILE  10  -1.302   2.964  -0.189
  107   1HD1  ILE  10          1HD1      ILE  10  -0.393  -0.098  -2.927
  108   2HD1  ILE  10          2HD1      ILE  10   1.177   0.496  -3.472
  109   3HD1  ILE  10          3HD1      ILE  10  -0.305   1.263  -4.045
  110    H    GLY  11           H        GLY  11   0.034   0.741   2.107
  111   1HA   GLY  11          2HA       GLY  11   2.151   2.484   2.716
  112   2HA   GLY  11          1HA       GLY  11   1.318   1.530   3.934
  113    H    LYS  12           H        LYS  12   1.978  -1.000   3.155
  114    HA   LYS  12           HA       LYS  12   4.764  -1.199   4.056
  115   1HB   LYS  12          2HB       LYS  12   2.862  -2.655   4.820
  116   2HB   LYS  12          1HB       LYS  12   2.784  -3.333   3.193
  117   1HG   LYS  12          2HG       LYS  12   5.487  -3.511   3.878
  118   2HG   LYS  12          1HG       LYS  12   4.636  -3.950   5.359
  119   1HD   LYS  12          2HD       LYS  12   5.017  -5.940   3.958
  120   2HD   LYS  12          1HD       LYS  12   3.292  -5.599   4.097
  121   1HE   LYS  12          2HE       LYS  12   3.295  -5.731   1.814
  122   2HE   LYS  12          1HE       LYS  12   4.014  -4.110   1.874
  123   1HZ   LYS  12          1HZ       LYS  12   5.276  -6.667   1.345
  124   2HZ   LYS  12          2HZ       LYS  12   6.131  -5.657   2.411
  125   3HZ   LYS  12          3HZ       LYS  12   5.736  -5.112   0.851
  126    H    PHE  13           H        PHE  13   3.349  -0.727   1.076
  127    HA   PHE  13           HA       PHE  13   5.035  -2.503  -0.535
  128   1HB   PHE  13          2HB       PHE  13   2.814  -0.630  -0.839
  129   2HB   PHE  13          1HB       PHE  13   3.971  -0.510  -2.154
  130    HD1  PHE  13           HD1      PHE  13   3.354  -1.745  -4.006
  131    HD2  PHE  13           HD2      PHE  13   2.548  -3.310  -0.088
  132    HE1  PHE  13           HE1      PHE  13   2.407  -3.799  -5.024
  133    HE2  PHE  13           HE2      PHE  13   1.602  -5.368  -1.106
  134    HZ   PHE  13           HZ       PHE  13   1.530  -5.609  -3.574
  135    H    LEU  14           H        LEU  14   5.032   0.814   0.556
  136    HA   LEU  14           HA       LEU  14   7.188   1.674  -1.208
  137   1HB   LEU  14          2HB       LEU  14   5.279   2.789   0.609
  138   2HB   LEU  14          1HB       LEU  14   6.880   3.363   1.075
  139    HG   LEU  14           HG       LEU  14   7.297   4.276  -1.088
  140   1HD1  LEU  14          1HD1      LEU  14   5.060   2.454  -1.882
  141   2HD1  LEU  14          2HD1      LEU  14   6.604   2.747  -2.679
  142   3HD1  LEU  14          3HD1      LEU  14   5.302   3.929  -2.820
  143   1HD2  LEU  14          1HD2      LEU  14   4.715   5.290  -1.422
  144   2HD2  LEU  14          2HD2      LEU  14   5.986   5.990  -0.418
  145   3HD2  LEU  14          3HD2      LEU  14   4.802   4.894   0.294
  146    H    HIS  15           H        HIS  15   7.172  -0.299   1.491
  147    HA   HIS  15           HA       HIS  15   9.518   0.621   2.881
  148   1HB   HIS  15          2HB       HIS  15   8.177  -2.077   2.540
  149   2HB   HIS  15          1HB       HIS  15   9.517  -1.807   3.652
  150    HD1  HIS  15           HD1      HIS  15   7.905   1.270   3.829
  151    HD2  HIS  15           HD2      HIS  15   6.862  -2.505   5.252
  152    HE1  HIS  15           HE1      HIS  15   6.223   1.646   5.685
  153    H    SER  16           H        SER  16   8.919  -1.216   0.012
  154    HA   SER  16           HA       SER  16  11.656  -2.168  -0.339
  155   1HB   SER  16          2HB       SER  16   9.574  -3.308  -1.157
  156   2HB   SER  16          1HB       SER  16   9.334  -1.969  -2.276
  157    HG   SER  16           HG       SER  16  11.559  -2.497  -2.990
  158    H    ALA  17           H        ALA  17   9.723   0.557  -1.365
  159    HA   ALA  17           HA       ALA  17  11.565   1.508  -3.405
  160   1HB   ALA  17          1HB       ALA  17   8.982   1.972  -2.735
  161   2HB   ALA  17          2HB       ALA  17   9.932   3.098  -3.705
  162   3HB   ALA  17          3HB       ALA  17   9.740   3.370  -1.973
  163    H    LYS  18           H        LYS  18  11.936   1.288  -0.104
  164    HA   LYS  18           HA       LYS  18  13.165   3.893   0.406
  165   1HB   LYS  18          2HB       LYS  18  11.984   2.391   2.069
  166   2HB   LYS  18          1HB       LYS  18  13.358   1.292   1.946
  167   1HG   LYS  18          2HG       LYS  18  14.819   2.777   2.979
  168   2HG   LYS  18          1HG       LYS  18  13.854   4.188   2.539
  169   1HD   LYS  18          2HD       LYS  18  13.161   4.075   4.709
  170   2HD   LYS  18          1HD       LYS  18  12.074   2.832   4.088
  171   1HE   LYS  18          2HE       LYS  18  13.333   1.092   4.975
  172   2HE   LYS  18          1HE       LYS  18  14.845   2.020   4.910
  173   1HZ   LYS  18          1HZ       LYS  18  14.295   3.238   6.763
  174   2HZ   LYS  18          2HZ       LYS  18  13.612   1.734   7.169
  175   3HZ   LYS  18          3HZ       LYS  18  12.627   2.987   6.580
  176    H    LYS  19           H        LYS  19  14.121   0.886  -0.907
  177    HA   LYS  19           HA       LYS  19  17.004   1.179  -0.385
  178   1HB   LYS  19          2HB       LYS  19  16.113  -1.015  -0.435
  179   2HB   LYS  19          1HB       LYS  19  15.184  -0.685  -1.898
  180   1HG   LYS  19          2HG       LYS  19  17.016  -0.892  -3.284
  181   2HG   LYS  19          1HG       LYS  19  18.153  -0.395  -2.029
  182   1HD   LYS  19          2HD       LYS  19  18.440  -2.781  -2.466
  183   2HD   LYS  19          1HD       LYS  19  17.748  -2.564  -0.857
  184   1HE   LYS  19          2HE       LYS  19  15.459  -2.917  -1.882
  185   2HE   LYS  19          1HE       LYS  19  16.279  -3.371  -3.389
  186   1HZ   LYS  19          1HZ       LYS  19  16.295  -5.395  -2.408
  187   2HZ   LYS  19          2HZ       LYS  19  16.193  -4.768  -0.831
  188   3HZ   LYS  19          3HZ       LYS  19  17.682  -4.785  -1.649
  189    H    PHE  20           H        PHE  20  14.887   2.668  -2.444
  190    HA   PHE  20           HA       PHE  20  15.766   2.625  -5.035
  191   1HB   PHE  20          2HB       PHE  20  14.948   4.903  -5.036
  192   2HB   PHE  20          1HB       PHE  20  14.013   4.008  -3.846
  193    HD1  PHE  20           HD1      PHE  20  14.456   4.267  -1.420
  194    HD2  PHE  20           HD2      PHE  20  16.552   6.569  -4.370
  195    HE1  PHE  20           HE1      PHE  20  15.218   5.836   0.347
  196    HE2  PHE  20           HE2      PHE  20  17.316   8.144  -2.610
  197    HZ   PHE  20           HZ       PHE  20  16.648   7.775  -0.248
  198   1HN   NH2  21          1HN       NH2  21  17.483   4.149  -2.270
  199   2HN   NH2  21          2HN       NH2  21  18.900   4.521  -3.127
  Start of MODEL   12
    1   1H    LYS   1          1H        LYS   1 -15.275  -4.491   1.657
    2   2H    LYS   1          2H        LYS   1 -14.884  -6.018   1.026
    3   3H    LYS   1          3H        LYS   1 -16.365  -5.286   0.629
    4    HA   LYS   1           HA       LYS   1 -13.655  -4.632  -0.340
    5   1HB   LYS   1          2HB       LYS   1 -16.419  -5.045  -1.527
    6   2HB   LYS   1          1HB       LYS   1 -14.967  -4.701  -2.469
    7   1HG   LYS   1          2HG       LYS   1 -13.899  -6.739  -1.574
    8   2HG   LYS   1          1HG       LYS   1 -15.351  -7.086  -0.637
    9   1HD   LYS   1          2HD       LYS   1 -16.633  -7.077  -2.834
   10   2HD   LYS   1          1HD       LYS   1 -15.068  -7.043  -3.649
   11   1HE   LYS   1          2HE       LYS   1 -15.722  -9.138  -1.561
   12   2HE   LYS   1          1HE       LYS   1 -16.085  -9.376  -3.281
   13   1HZ   LYS   1          1HZ       LYS   1 -13.935 -10.126  -3.202
   14   2HZ   LYS   1          2HZ       LYS   1 -13.481  -9.062  -1.958
   15   3HZ   LYS   1          3HZ       LYS   1 -13.659  -8.489  -3.548
   16    H    TRP   2           H        TRP   2 -13.164  -2.530   0.177
   17    HA   TRP   2           HA       TRP   2 -14.833  -0.368  -0.870
   18   1HB   TRP   2          2HB       TRP   2 -15.786  -1.211   1.399
   19   2HB   TRP   2          1HB       TRP   2 -14.367  -0.452   2.115
   20    HD1  TRP   2           HD1      TRP   2 -16.605   0.821  -0.771
   21    HE1  TRP   2           HE1      TRP   2 -17.460   3.172  -0.142
   22    HE3  TRP   2           HE3      TRP   2 -14.639   1.247   3.922
   23    HZ2  TRP   2           HZ2      TRP   2 -17.327   4.992   2.065
   24    HZ3  TRP   2           HZ3      TRP   2 -15.019   3.295   5.265
   25    HH2  TRP   2           HH2      TRP   2 -16.360   5.166   4.344
   26    H    LYS   3           H        LYS   3 -13.737   1.788   0.387
   27    HA   LYS   3           HA       LYS   3 -11.145   2.070  -0.665
   28   1HB   LYS   3          2HB       LYS   3 -11.081   4.085   0.680
   29   2HB   LYS   3          1HB       LYS   3 -12.751   3.838   0.167
   30   1HG   LYS   3          2HG       LYS   3 -13.371   2.946   2.303
   31   2HG   LYS   3          1HG       LYS   3 -11.687   2.833   2.815
   32   1HD   LYS   3          2HD       LYS   3 -12.743   4.799   3.836
   33   2HD   LYS   3          1HD       LYS   3 -11.502   5.305   2.689
   34   1HE   LYS   3          2HE       LYS   3 -13.725   5.149   1.068
   35   2HE   LYS   3          1HE       LYS   3 -14.413   5.741   2.592
   36   1HZ   LYS   3          1HZ       LYS   3 -12.349   6.952   0.894
   37   2HZ   LYS   3          2HZ       LYS   3 -12.247   7.189   2.574
   38   3HZ   LYS   3          3HZ       LYS   3 -13.629   7.692   1.724
   39    H    LEU   4           H        LEU   4 -12.183   0.444   2.176
   40    HA   LEU   4           HA       LEU   4 -10.145   0.493   4.004
   41   1HB   LEU   4          2HB       LEU   4 -11.867  -0.971   4.508
   42   2HB   LEU   4          1HB       LEU   4 -11.928  -1.615   2.871
   43    HG   LEU   4           HG       LEU   4  -9.948  -2.949   3.248
   44   1HD1  LEU   4          1HD1      LEU   4  -8.375  -2.340   4.736
   45   2HD1  LEU   4          2HD1      LEU   4  -9.525  -2.491   6.064
   46   3HD1  LEU   4          3HD1      LEU   4  -9.385  -0.967   5.187
   47   1HD2  LEU   4          1HD2      LEU   4 -12.238  -3.651   4.241
   48   2HD2  LEU   4          2HD2      LEU   4 -11.537  -3.227   5.803
   49   3HD2  LEU   4          3HD2      LEU   4 -10.807  -4.500   4.826
   50    H    PHE   5           H        PHE   5  -9.940  -0.758   0.764
   51    HA   PHE   5           HA       PHE   5  -7.708  -2.424   0.850
   52   1HB   PHE   5          2HB       PHE   5  -9.029  -0.587  -1.057
   53   2HB   PHE   5          1HB       PHE   5  -7.389  -1.066  -1.475
   54    HD1  PHE   5           HD1      PHE   5  -6.852  -3.351  -2.071
   55    HD2  PHE   5           HD2      PHE   5 -10.809  -2.281  -0.790
   56    HE1  PHE   5           HE1      PHE   5  -7.698  -5.548  -2.852
   57    HE2  PHE   5           HE2      PHE   5 -11.656  -4.478  -1.569
   58    HZ   PHE   5           HZ       PHE   5 -10.102  -6.111  -2.601
   59    H    LYS   6           H        LYS   6  -7.802   1.099   0.800
   60    HA   LYS   6           HA       LYS   6  -4.929   1.445   0.648
   61   1HB   LYS   6          2HB       LYS   6  -5.470   3.775   1.084
   62   2HB   LYS   6          1HB       LYS   6  -6.708   3.120   0.015
   63   1HG   LYS   6          2HG       LYS   6  -8.344   3.238   1.613
   64   2HG   LYS   6          1HG       LYS   6  -7.234   2.876   2.932
   65   1HD   LYS   6          2HD       LYS   6  -6.530   5.399   1.713
   66   2HD   LYS   6          1HD       LYS   6  -8.227   5.410   2.194
   67   1HE   LYS   6          2HE       LYS   6  -7.238   4.302   4.416
   68   2HE   LYS   6          1HE       LYS   6  -5.782   5.175   3.901
   69   1HZ   LYS   6          1HZ       LYS   6  -6.922   7.197   3.842
   70   2HZ   LYS   6          2HZ       LYS   6  -7.471   6.468   5.276
   71   3HZ   LYS   6          3HZ       LYS   6  -8.447   6.457   3.884
   72    H    LYS   7           H        LYS   7  -6.950   0.314   3.079
   73    HA   LYS   7           HA       LYS   7  -5.067   1.175   5.244
   74   1HB   LYS   7          2HB       LYS   7  -7.779   1.457   5.033
   75   2HB   LYS   7          1HB       LYS   7  -7.673  -0.079   5.894
   76   1HG   LYS   7          2HG       LYS   7  -6.086   1.034   7.514
   77   2HG   LYS   7          1HG       LYS   7  -6.456   2.568   6.724
   78   1HD   LYS   7          2HD       LYS   7  -8.855   2.250   7.237
   79   2HD   LYS   7          1HD       LYS   7  -8.475   0.732   8.049
   80   1HE   LYS   7          2HE       LYS   7  -6.800   2.223   9.445
   81   2HE   LYS   7          1HE       LYS   7  -7.865   3.543   8.924
   82   1HZ   LYS   7          1HZ       LYS   7  -9.466   1.357   9.631
   83   2HZ   LYS   7          2HZ       LYS   7  -9.369   2.872  10.393
   84   3HZ   LYS   7          3HZ       LYS   7  -8.360   1.601  10.893
   85    H    ILE   8           H        ILE   8  -5.530  -1.369   3.201
   86    HA   ILE   8           HA       ILE   8  -5.524  -3.596   5.087
   87    HB   ILE   8           HB       ILE   8  -4.885  -3.287   2.136
   88   1HG1  ILE   8          2HG1      ILE   8  -7.241  -2.800   2.949
   89   2HG1  ILE   8          1HG1      ILE   8  -7.119  -4.105   1.769
   90   1HG2  ILE   8          1HG2      ILE   8  -4.346  -5.468   3.889
   91   2HG2  ILE   8          2HG2      ILE   8  -4.179  -5.420   2.134
   92   3HG2  ILE   8          3HG2      ILE   8  -5.701  -5.936   2.862
   93   1HD1  ILE   8          1HD1      ILE   8  -6.926  -4.796   4.674
   94   2HD1  ILE   8          2HD1      ILE   8  -7.565  -5.753   3.337
   95   3HD1  ILE   8          3HD1      ILE   8  -8.515  -4.425   4.004
   96    H    GLY   9           H        GLY   9  -3.095  -2.702   2.644
   97   1HA   GLY   9          2HA       GLY   9  -0.923  -2.554   4.568
   98   2HA   GLY   9          1HA       GLY   9  -0.911  -4.080   3.685
   99    H    ILE  10           H        ILE  10  -0.645  -0.565   3.312
  100    HA   ILE  10           HA       ILE  10   0.495  -1.041   0.596
  101    HB   ILE  10           HB       ILE  10  -0.120   1.583   0.624
  102   1HG1  ILE  10          2HG1      ILE  10  -2.364   0.342   2.223
  103   2HG1  ILE  10          1HG1      ILE  10  -1.067   1.264   2.986
  104   1HG2  ILE  10          1HG2      ILE  10  -2.108  -0.634   0.105
  105   2HG2  ILE  10          2HG2      ILE  10  -0.823  -0.156  -1.005
  106   3HG2  ILE  10          3HG2      ILE  10  -2.123   0.974  -0.621
  107   1HD1  ILE  10          1HD1      ILE  10  -3.354   2.214   1.409
  108   2HD1  ILE  10          2HD1      ILE  10  -1.816   2.905   0.894
  109   3HD1  ILE  10          3HD1      ILE  10  -2.348   3.086   2.566
  110    H    GLY  11           H        GLY  11   0.840   0.627   3.637
  111   1HA   GLY  11          2HA       GLY  11   3.043   2.278   3.131
  112   2HA   GLY  11          1HA       GLY  11   2.783   1.480   4.676
  113    H    LYS  12           H        LYS  12   2.979  -1.138   3.895
  114    HA   LYS  12           HA       LYS  12   5.839  -1.544   3.800
  115   1HB   LYS  12          2HB       LYS  12   3.509  -3.449   3.397
  116   2HB   LYS  12          1HB       LYS  12   5.160  -3.924   3.792
  117   1HG   LYS  12          2HG       LYS  12   4.759  -2.181   5.793
  118   2HG   LYS  12          1HG       LYS  12   3.084  -2.665   5.524
  119   1HD   LYS  12          2HD       LYS  12   3.530  -4.477   6.796
  120   2HD   LYS  12          1HD       LYS  12   4.493  -5.068   5.440
  121   1HE   LYS  12          2HE       LYS  12   6.334  -4.926   6.752
  122   2HE   LYS  12          1HE       LYS  12   6.100  -3.169   6.834
  123   1HZ   LYS  12          1HZ       LYS  12   4.578  -3.438   8.642
  124   2HZ   LYS  12          2HZ       LYS  12   6.006  -4.271   9.038
  125   3HZ   LYS  12          3HZ       LYS  12   4.633  -5.128   8.517
  126    H    PHE  13           H        PHE  13   3.538  -0.914   1.421
  127    HA   PHE  13           HA       PHE  13   4.613  -2.472  -0.775
  128   1HB   PHE  13          2HB       PHE  13   2.281  -1.414  -0.396
  129   2HB   PHE  13          1HB       PHE  13   3.029   0.088  -0.921
  130    HD1  PHE  13           HD1      PHE  13   4.868  -2.255  -2.616
  131    HD2  PHE  13           HD2      PHE  13   0.889  -0.634  -2.567
  132    HE1  PHE  13           HE1      PHE  13   4.568  -2.921  -4.987
  133    HE2  PHE  13           HE2      PHE  13   0.590  -1.301  -4.936
  134    HZ   PHE  13           HZ       PHE  13   2.429  -2.444  -6.145
  135    H    LEU  14           H        LEU  14   4.647   0.962   0.003
  136    HA   LEU  14           HA       LEU  14   6.681   1.610  -1.974
  137   1HB   LEU  14          2HB       LEU  14   5.161   2.975   0.211
  138   2HB   LEU  14          1HB       LEU  14   6.603   3.773  -0.418
  139    HG   LEU  14           HG       LEU  14   4.648   4.518  -1.681
  140   1HD1  LEU  14          1HD1      LEU  14   6.958   3.823  -2.774
  141   2HD1  LEU  14          2HD1      LEU  14   5.595   4.281  -3.794
  142   3HD1  LEU  14          3HD1      LEU  14   5.975   2.578  -3.543
  143   1HD2  LEU  14          1HD2      LEU  14   3.289   2.457  -1.221
  144   2HD2  LEU  14          2HD2      LEU  14   4.274   1.594  -2.402
  145   3HD2  LEU  14          3HD2      LEU  14   3.260   2.943  -2.916
  146    H    HIS  15           H        HIS  15   6.808   0.181   1.077
  147    HA   HIS  15           HA       HIS  15   9.186   1.333   2.178
  148   1HB   HIS  15          2HB       HIS  15   7.380  -0.912   2.604
  149   2HB   HIS  15          1HB       HIS  15   9.052  -1.362   2.940
  150    HD1  HIS  15           HD1      HIS  15  10.196   1.156   4.133
  151    HD2  HIS  15           HD2      HIS  15   6.377  -0.213   5.091
  152    HE1  HIS  15           HE1      HIS  15   9.603   2.195   6.365
  153    H    SER  16           H        SER  16   8.637  -0.813  -0.447
  154    HA   SER  16           HA       SER  16  11.263  -2.062  -0.491
  155   1HB   SER  16          2HB       SER  16   9.159  -2.994  -1.482
  156   2HB   SER  16          1HB       SER  16   9.186  -1.694  -2.670
  157    HG   SER  16           HG       SER  16  11.474  -3.277  -2.310
  158    H    ALA  17           H        ALA  17   9.810   0.799  -1.866
  159    HA   ALA  17           HA       ALA  17  12.041   1.390  -3.657
  160   1HB   ALA  17          1HB       ALA  17  10.220   2.489  -4.477
  161   2HB   ALA  17          2HB       ALA  17  10.597   3.721  -3.272
  162   3HB   ALA  17          3HB       ALA  17   9.408   2.469  -2.911
  163    H    LYS  18           H        LYS  18  11.428   1.738  -0.329
  164    HA   LYS  18           HA       LYS  18  13.074   4.112   0.115
  165   1HB   LYS  18          2HB       LYS  18  11.225   3.571   1.594
  166   2HB   LYS  18          1HB       LYS  18  11.884   1.963   1.894
  167   1HG   LYS  18          2HG       LYS  18  12.667   3.055   3.773
  168   2HG   LYS  18          1HG       LYS  18  14.007   3.373   2.673
  169   1HD   LYS  18          2HD       LYS  18  13.656   5.578   2.931
  170   2HD   LYS  18          1HD       LYS  18  12.066   5.383   2.192
  171   1HE   LYS  18          2HE       LYS  18  12.366   4.621   5.074
  172   2HE   LYS  18          1HE       LYS  18  12.278   6.345   4.662
  173   1HZ   LYS  18          1HZ       LYS  18  10.255   6.040   3.539
  174   2HZ   LYS  18          2HZ       LYS  18  10.078   5.162   4.983
  175   3HZ   LYS  18          3HZ       LYS  18  10.405   4.351   3.526
  176    H    LYS  19           H        LYS  19  13.597   0.756  -0.307
  177    HA   LYS  19           HA       LYS  19  16.180   0.683   1.104
  178   1HB   LYS  19          2HB       LYS  19  14.935  -1.329  -0.791
  179   2HB   LYS  19          1HB       LYS  19  16.135  -1.644   0.462
  180   1HG   LYS  19          2HG       LYS  19  13.768  -0.331   1.541
  181   2HG   LYS  19          1HG       LYS  19  13.370  -1.853   0.746
  182   1HD   LYS  19          2HD       LYS  19  15.726  -1.736   2.604
  183   2HD   LYS  19          1HD       LYS  19  14.100  -1.857   3.276
  184   1HE   LYS  19          2HE       LYS  19  13.701  -3.874   1.833
  185   2HE   LYS  19          1HE       LYS  19  15.398  -3.789   1.321
  186   1HZ   LYS  19          1HZ       LYS  19  15.018  -3.544   4.168
  187   2HZ   LYS  19          2HZ       LYS  19  16.117  -4.506   3.300
  188   3HZ   LYS  19          3HZ       LYS  19  14.527  -5.046   3.552
  189    H    PHE  20           H        PHE  20  15.024   1.631  -1.941
  190    HA   PHE  20           HA       PHE  20  17.762   1.347  -3.144
  191   1HB   PHE  20          2HB       PHE  20  15.059   1.552  -4.511
  192   2HB   PHE  20          1HB       PHE  20  16.601   1.179  -5.282
  193    HD1  PHE  20           HD1      PHE  20  13.680  -0.221  -3.878
  194    HD2  PHE  20           HD2      PHE  20  17.914  -0.871  -4.205
  195    HE1  PHE  20           HE1      PHE  20  13.350  -2.628  -3.377
  196    HE2  PHE  20           HE2      PHE  20  17.584  -3.278  -3.703
  197    HZ   PHE  20           HZ       PHE  20  15.301  -4.156  -3.289
  198   1HN   NH2  21          1HN       NH2  21  15.546   3.618  -1.904
  199   2HN   NH2  21          2HN       NH2  21  16.108   4.994  -2.723
  Start of MODEL   13
    1   1H    LYS   1          1H        LYS   1 -13.596  -7.027   7.044
    2   2H    LYS   1          2H        LYS   1 -14.767  -6.266   6.077
    3   3H    LYS   1          3H        LYS   1 -13.219  -6.581   5.452
    4    HA   LYS   1           HA       LYS   1 -13.727  -9.033   5.854
    5   1HB   LYS   1          2HB       LYS   1 -15.606  -8.411   7.385
    6   2HB   LYS   1          1HB       LYS   1 -16.488  -7.784   5.992
    7   1HG   LYS   1          2HG       LYS   1 -16.939  -9.874   5.161
    8   2HG   LYS   1          1HG       LYS   1 -15.426 -10.553   5.761
    9   1HD   LYS   1          2HD       LYS   1 -17.417 -11.444   6.973
   10   2HD   LYS   1          1HD       LYS   1 -16.301 -10.589   8.040
   11   1HE   LYS   1          2HE       LYS   1 -18.510  -9.795   8.597
   12   2HE   LYS   1          1HE       LYS   1 -17.755  -8.504   7.638
   13   1HZ   LYS   1          1HZ       LYS   1 -18.780  -9.352   5.663
   14   2HZ   LYS   1          2HZ       LYS   1 -19.994  -9.123   6.828
   15   3HZ   LYS   1          3HZ       LYS   1 -19.416 -10.686   6.496
   16    H    TRP   2           H        TRP   2 -14.945  -6.270   4.087
   17    HA   TRP   2           HA       TRP   2 -15.580  -7.889   1.685
   18   1HB   TRP   2          2HB       TRP   2 -15.581  -4.884   1.986
   19   2HB   TRP   2          1HB       TRP   2 -16.558  -5.871   0.899
   20    HD1  TRP   2           HD1      TRP   2 -17.382  -8.036   3.172
   21    HE1  TRP   2           HE1      TRP   2 -19.188  -7.363   4.884
   22    HE3  TRP   2           HE3      TRP   2 -17.138  -2.949   2.764
   23    HZ2  TRP   2           HZ2      TRP   2 -20.376  -4.984   5.939
   24    HZ3  TRP   2           HZ3      TRP   2 -18.619  -1.507   4.131
   25    HH2  TRP   2           HH2      TRP   2 -20.237  -2.517   5.718
   26    H    LYS   3           H        LYS   3 -14.809  -6.143  -0.301
   27    HA   LYS   3           HA       LYS   3 -12.083  -6.812  -0.784
   28   1HB   LYS   3          2HB       LYS   3 -12.413  -5.545  -2.776
   29   2HB   LYS   3          1HB       LYS   3 -14.014  -6.162  -2.365
   30   1HG   LYS   3          2HG       LYS   3 -13.783  -3.753  -0.941
   31   2HG   LYS   3          1HG       LYS   3 -13.106  -3.409  -2.534
   32   1HD   LYS   3          2HD       LYS   3 -15.781  -4.764  -2.093
   33   2HD   LYS   3          1HD       LYS   3 -15.588  -3.036  -2.391
   34   1HE   LYS   3          2HE       LYS   3 -15.309  -3.367  -4.620
   35   2HE   LYS   3          1HE       LYS   3 -14.132  -4.669  -4.346
   36   1HZ   LYS   3          1HZ       LYS   3 -15.898  -5.861  -5.159
   37   2HZ   LYS   3          2HZ       LYS   3 -17.063  -4.813  -4.503
   38   3HZ   LYS   3          3HZ       LYS   3 -16.247  -5.915  -3.500
   39    H    LEU   4           H        LEU   4 -13.379  -4.431   1.246
   40    HA   LEU   4           HA       LEU   4 -11.642  -2.235   0.991
   41   1HB   LEU   4          2HB       LEU   4 -13.493  -2.020   2.420
   42   2HB   LEU   4          1HB       LEU   4 -13.155  -3.549   3.229
   43    HG   LEU   4           HG       LEU   4 -11.169  -2.572   4.292
   44   1HD1  LEU   4          1HD1      LEU   4 -10.198  -0.868   3.167
   45   2HD1  LEU   4          2HD1      LEU   4 -11.416   0.167   3.912
   46   3HD1  LEU   4          3HD1      LEU   4 -11.685  -0.492   2.298
   47   1HD2  LEU   4          1HD2      LEU   4 -12.522  -1.852   5.946
   48   2HD2  LEU   4          2HD2      LEU   4 -13.866  -1.873   4.802
   49   3HD2  LEU   4          3HD2      LEU   4 -12.923  -0.398   5.027
   50    H    PHE   5           H        PHE   5 -11.085  -5.346   2.485
   51    HA   PHE   5           HA       PHE   5  -8.618  -4.553   3.822
   52   1HB   PHE   5          2HB       PHE   5 -10.439  -6.775   3.687
   53   2HB   PHE   5          1HB       PHE   5  -8.789  -7.362   3.483
   54    HD1  PHE   5           HD1      PHE   5 -10.316  -4.577   5.482
   55    HD2  PHE   5           HD2      PHE   5  -7.934  -8.151   5.511
   56    HE1  PHE   5           HE1      PHE   5  -9.910  -4.287   7.912
   57    HE2  PHE   5           HE2      PHE   5  -7.526  -7.861   7.940
   58    HZ   PHE   5           HZ       PHE   5  -8.518  -5.928   9.141
   59    H    LYS   6           H        LYS   6  -9.469  -5.677   0.685
   60    HA   LYS   6           HA       LYS   6  -7.049  -6.937  -0.122
   61   1HB   LYS   6          2HB       LYS   6  -9.286  -6.900  -1.293
   62   2HB   LYS   6          1HB       LYS   6  -8.921  -5.250  -1.803
   63   1HG   LYS   6          2HG       LYS   6  -6.894  -7.395  -2.322
   64   2HG   LYS   6          1HG       LYS   6  -8.312  -7.299  -3.367
   65   1HD   LYS   6          2HD       LYS   6  -7.416  -4.644  -3.076
   66   2HD   LYS   6          1HD       LYS   6  -5.961  -5.608  -3.334
   67   1HE   LYS   6          2HE       LYS   6  -6.788  -4.987  -5.523
   68   2HE   LYS   6          1HE       LYS   6  -7.195  -6.701  -5.299
   69   1HZ   LYS   6          1HZ       LYS   6  -9.011  -4.878  -5.936
   70   2HZ   LYS   6          2HZ       LYS   6  -9.090  -4.757  -4.244
   71   3HZ   LYS   6          3HZ       LYS   6  -9.378  -6.248  -5.007
   72    H    LYS   7           H        LYS   7  -7.581  -3.688   0.716
   73    HA   LYS   7           HA       LYS   7  -5.089  -2.865  -0.740
   74   1HB   LYS   7          2HB       LYS   7  -6.092  -0.666  -0.936
   75   2HB   LYS   7          1HB       LYS   7  -7.278  -1.846  -1.489
   76   1HG   LYS   7          2HG       LYS   7  -8.588  -1.628   0.443
   77   2HG   LYS   7          1HG       LYS   7  -7.256  -0.969   1.390
   78   1HD   LYS   7          2HD       LYS   7  -8.341   1.007   0.970
   79   2HD   LYS   7          1HD       LYS   7  -7.399   0.929  -0.520
   80   1HE   LYS   7          2HE       LYS   7  -9.792   1.389  -1.003
   81   2HE   LYS   7          1HE       LYS   7  -9.316  -0.191  -1.653
   82   1HZ   LYS   7          1HZ       LYS   7 -11.248   0.369   0.317
   83   2HZ   LYS   7          2HZ       LYS   7 -10.007  -0.550   1.028
   84   3HZ   LYS   7          3HZ       LYS   7 -10.822  -1.134  -0.344
   85    H    ILE   8           H        ILE   8  -5.846  -3.930   2.111
   86    HA   ILE   8           HA       ILE   8  -5.048  -1.701   3.850
   87    HB   ILE   8           HB       ILE   8  -5.880  -4.578   4.122
   88   1HG1  ILE   8          2HG1      ILE   8  -7.474  -2.583   3.892
   89   2HG1  ILE   8          1HG1      ILE   8  -7.747  -3.642   5.276
   90   1HG2  ILE   8          1HG2      ILE   8  -5.649  -4.205   6.640
   91   2HG2  ILE   8          2HG2      ILE   8  -4.604  -2.841   6.247
   92   3HG2  ILE   8          3HG2      ILE   8  -4.145  -4.472   5.761
   93   1HD1  ILE   8          1HD1      ILE   8  -6.555  -2.101   6.743
   94   2HD1  ILE   8          2HD1      ILE   8  -7.821  -1.221   5.885
   95   3HD1  ILE   8          3HD1      ILE   8  -6.139  -1.073   5.371
   96    H    GLY   9           H        GLY   9  -3.433  -4.238   2.118
   97   1HA   GLY   9          2HA       GLY   9  -1.019  -3.917   3.856
   98   2HA   GLY   9          1HA       GLY   9  -1.305  -5.295   2.791
   99    H    ILE  10           H        ILE  10  -1.053  -1.719   2.520
  100    HA   ILE  10           HA       ILE  10   0.607  -2.138   0.080
  101    HB   ILE  10           HB       ILE  10  -0.589   0.150  -0.464
  102   1HG1  ILE  10          2HG1      ILE  10  -2.575  -1.219   1.366
  103   2HG1  ILE  10          1HG1      ILE  10  -1.749   0.301   1.710
  104   1HG2  ILE  10          1HG2      ILE  10  -0.892  -1.622  -1.969
  105   2HG2  ILE  10          2HG2      ILE  10  -2.534  -1.290  -1.416
  106   3HG2  ILE  10          3HG2      ILE  10  -1.635  -2.649  -0.741
  107   1HD1  ILE  10          1HD1      ILE  10  -3.950   0.823   0.837
  108   2HD1  ILE  10          2HD1      ILE  10  -3.694  -0.235  -0.551
  109   3HD1  ILE  10          3HD1      ILE  10  -2.755   1.248  -0.388
  110    H    GLY  11           H        GLY  11  -0.143  -0.100   2.825
  111   1HA   GLY  11          2HA       GLY  11   1.591   2.032   2.500
  112   2HA   GLY  11          1HA       GLY  11   1.277   1.316   4.068
  113    H    LYS  12           H        LYS  12   2.409  -1.158   3.728
  114    HA   LYS  12           HA       LYS  12   5.239  -0.495   4.016
  115   1HB   LYS  12          2HB       LYS  12   5.361  -2.576   5.029
  116   2HB   LYS  12          1HB       LYS  12   3.640  -2.254   5.209
  117   1HG   LYS  12          2HG       LYS  12   3.249  -3.512   3.066
  118   2HG   LYS  12          1HG       LYS  12   4.959  -3.950   3.072
  119   1HD   LYS  12          2HD       LYS  12   4.471  -4.766   5.512
  120   2HD   LYS  12          1HD       LYS  12   2.791  -4.786   4.980
  121   1HE   LYS  12          2HE       LYS  12   3.142  -6.524   3.481
  122   2HE   LYS  12          1HE       LYS  12   4.841  -6.087   3.216
  123   1HZ   LYS  12          1HZ       LYS  12   4.359  -6.676   5.954
  124   2HZ   LYS  12          2HZ       LYS  12   5.472  -7.389   4.887
  125   3HZ   LYS  12          3HZ       LYS  12   3.884  -7.983   4.983
  126    H    PHE  13           H        PHE  13   3.261  -1.267   1.406
  127    HA   PHE  13           HA       PHE  13   4.963  -2.865  -0.246
  128   1HB   PHE  13          2HB       PHE  13   2.454  -1.915  -0.365
  129   2HB   PHE  13          1HB       PHE  13   3.238  -0.708  -1.375
  130    HD1  PHE  13           HD1      PHE  13   1.817  -3.967  -1.296
  131    HD2  PHE  13           HD2      PHE  13   4.820  -1.603  -3.256
  132    HE1  PHE  13           HE1      PHE  13   1.829  -5.561  -3.197
  133    HE2  PHE  13           HE2      PHE  13   4.832  -3.198  -5.159
  134    HZ   PHE  13           HZ       PHE  13   3.337  -5.176  -5.128
  135    H    LEU  14           H        LEU  14   4.679   0.571   0.325
  136    HA   LEU  14           HA       LEU  14   6.648   1.338  -1.691
  137   1HB   LEU  14          2HB       LEU  14   4.671   2.573  -0.249
  138   2HB   LEU  14          1HB       LEU  14   6.115   3.133   0.591
  139    HG   LEU  14           HG       LEU  14   7.035   4.053  -1.426
  140   1HD1  LEU  14          1HD1      LEU  14   5.056   3.742  -3.392
  141   2HD1  LEU  14          2HD1      LEU  14   5.230   2.141  -2.670
  142   3HD1  LEU  14          3HD1      LEU  14   6.635   2.956  -3.358
  143   1HD2  LEU  14          1HD2      LEU  14   5.004   5.171  -0.210
  144   2HD2  LEU  14          2HD2      LEU  14   4.117   4.746  -1.673
  145   3HD2  LEU  14          3HD2      LEU  14   5.518   5.811  -1.770
  146    H    HIS  15           H        HIS  15   6.914  -0.128   1.326
  147    HA   HIS  15           HA       HIS  15   9.191   1.151   2.469
  148   1HB   HIS  15          2HB       HIS  15   7.538  -0.834   3.194
  149   2HB   HIS  15          1HB       HIS  15   8.878  -1.815   2.598
  150    HD1  HIS  15           HD1      HIS  15  11.188   0.121   3.462
  151    HD2  HIS  15           HD2      HIS  15   8.073  -1.105   5.944
  152    HE1  HIS  15           HE1      HIS  15  12.015   0.404   5.838
  153    H    SER  16           H        SER  16   8.827  -0.677  -0.380
  154    HA   SER  16           HA       SER  16  11.534  -1.719  -0.560
  155   1HB   SER  16          2HB       SER  16   9.780  -2.840  -1.740
  156   2HB   SER  16          1HB       SER  16   9.203  -1.329  -2.439
  157    HG   SER  16           HG       SER  16  11.193  -1.214  -3.584
  158    H    ALA  17           H        ALA  17   9.844   1.168  -1.567
  159    HA   ALA  17           HA       ALA  17  11.733   2.223  -3.417
  160   1HB   ALA  17          1HB       ALA  17   9.312   2.938  -2.368
  161   2HB   ALA  17          2HB       ALA  17  10.312   4.019  -3.339
  162   3HB   ALA  17          3HB       ALA  17  10.376   4.103  -1.578
  163    H    LYS  18           H        LYS  18  11.956   1.747  -0.042
  164    HA   LYS  18           HA       LYS  18  13.906   3.868   0.481
  165   1HB   LYS  18          2HB       LYS  18  12.158   2.361   1.964
  166   2HB   LYS  18          1HB       LYS  18  13.692   1.565   2.317
  167   1HG   LYS  18          2HG       LYS  18  14.567   3.411   3.378
  168   2HG   LYS  18          1HG       LYS  18  13.652   4.547   2.385
  169   1HD   LYS  18          2HD       LYS  18  11.593   3.981   3.588
  170   2HD   LYS  18          1HD       LYS  18  12.465   2.787   4.551
  171   1HE   LYS  18          2HE       LYS  18  13.294   4.383   5.947
  172   2HE   LYS  18          1HE       LYS  18  13.725   5.446   4.593
  173   1HZ   LYS  18          1HZ       LYS  18  11.660   6.377   4.532
  174   2HZ   LYS  18          2HZ       LYS  18  11.741   6.037   6.195
  175   3HZ   LYS  18          3HZ       LYS  18  10.886   5.003   5.153
  176    H    LYS  19           H        LYS  19  13.988   0.761  -0.881
  177    HA   LYS  19           HA       LYS  19  16.747   0.112  -0.083
  178   1HB   LYS  19          2HB       LYS  19  15.075  -1.182  -2.245
  179   2HB   LYS  19          1HB       LYS  19  16.308  -1.930  -1.229
  180   1HG   LYS  19          2HG       LYS  19  14.824  -1.467   0.764
  181   2HG   LYS  19          1HG       LYS  19  13.568  -0.968  -0.369
  182   1HD   LYS  19          2HD       LYS  19  12.956  -3.142  -0.429
  183   2HD   LYS  19          1HD       LYS  19  14.411  -3.410  -1.390
  184   1HE   LYS  19          2HE       LYS  19  14.868  -3.294   1.536
  185   2HE   LYS  19          1HE       LYS  19  13.925  -4.688   0.974
  186   1HZ   LYS  19          1HZ       LYS  19  15.606  -5.068  -0.742
  187   2HZ   LYS  19          2HZ       LYS  19  16.283  -5.161   0.814
  188   3HZ   LYS  19          3HZ       LYS  19  16.526  -3.777  -0.140
  189    H    PHE  20           H        PHE  20  15.293   2.135  -2.325
  190    HA   PHE  20           HA       PHE  20  17.638   1.966  -4.191
  191   1HB   PHE  20          2HB       PHE  20  14.824   2.996  -4.669
  192   2HB   PHE  20          1HB       PHE  20  16.072   2.751  -5.890
  193    HD1  PHE  20           HD1      PHE  20  16.495   0.603  -6.821
  194    HD2  PHE  20           HD2      PHE  20  13.899   1.012  -3.424
  195    HE1  PHE  20           HE1      PHE  20  15.785  -1.758  -7.080
  196    HE2  PHE  20           HE2      PHE  20  13.188  -1.350  -3.683
  197    HZ   PHE  20           HZ       PHE  20  14.131  -2.735  -5.511
  198   1HN   NH2  21          1HN       NH2  21  18.761   3.534  -2.625
  199   2HN   NH2  21          2HN       NH2  21  18.355   5.180  -2.697
  Start of MODEL   14
    1   1H    LYS   1          1H        LYS   1 -12.340   4.194   9.934
    2   2H    LYS   1          2H        LYS   1 -11.478   5.627  10.231
    3   3H    LYS   1          3H        LYS   1 -10.743   4.351   9.384
    4    HA   LYS   1           HA       LYS   1 -11.978   4.724   7.459
    5   1HB   LYS   1          2HB       LYS   1 -13.798   6.031   9.477
    6   2HB   LYS   1          1HB       LYS   1 -14.002   6.348   7.752
    7   1HG   LYS   1          2HG       LYS   1 -13.665   3.498   8.401
    8   2HG   LYS   1          1HG       LYS   1 -15.116   4.219   9.097
    9   1HD   LYS   1          2HD       LYS   1 -15.612   5.179   6.801
   10   2HD   LYS   1          1HD       LYS   1 -14.305   4.168   6.182
   11   1HE   LYS   1          2HE       LYS   1 -15.475   2.159   7.155
   12   2HE   LYS   1          1HE       LYS   1 -16.842   3.218   7.558
   13   1HZ   LYS   1          1HZ       LYS   1 -16.658   2.026   5.218
   14   2HZ   LYS   1          2HZ       LYS   1 -15.738   3.411   4.861
   15   3HZ   LYS   1          3HZ       LYS   1 -17.346   3.567   5.387
   16    H    TRP   2           H        TRP   2  -9.633   5.944   8.175
   17    HA   TRP   2           HA       TRP   2  -9.936   8.628   6.977
   18   1HB   TRP   2          2HB       TRP   2 -10.219   8.500   9.626
   19   2HB   TRP   2          1HB       TRP   2  -8.454   8.483   9.570
   20    HD1  TRP   2           HD1      TRP   2  -7.733  10.867  10.111
   21    HE1  TRP   2           HE1      TRP   2  -8.316  13.210   9.210
   22    HE3  TRP   2           HE3      TRP   2 -11.563   9.672   6.943
   23    HZ2  TRP   2           HZ2      TRP   2 -10.160  14.420   7.389
   24    HZ3  TRP   2           HZ3      TRP   2 -12.712  11.441   5.640
   25    HH2  TRP   2           HH2      TRP   2 -12.017  13.809   5.859
   26    H    LYS   3           H        LYS   3  -7.419   9.595   7.586
   27    HA   LYS   3           HA       LYS   3  -5.689   8.567   5.701
   28   1HB   LYS   3          2HB       LYS   3  -5.125   9.774   8.418
   29   2HB   LYS   3          1HB       LYS   3  -3.906   9.611   7.153
   30   1HG   LYS   3          2HG       LYS   3  -5.731  10.829   5.677
   31   2HG   LYS   3          1HG       LYS   3  -6.323  11.384   7.244
   32   1HD   LYS   3          2HD       LYS   3  -3.392  11.587   6.796
   33   2HD   LYS   3          1HD       LYS   3  -4.405  12.693   5.867
   34   1HE   LYS   3          2HE       LYS   3  -4.956  13.912   7.717
   35   2HE   LYS   3          1HE       LYS   3  -5.165  12.459   8.716
   36   1HZ   LYS   3          1HZ       LYS   3  -3.222  13.458   9.526
   37   2HZ   LYS   3          2HZ       LYS   3  -2.645  13.824   7.971
   38   3HZ   LYS   3          3HZ       LYS   3  -2.663  12.215   8.518
   39    H    LEU   4           H        LEU   4  -6.424   7.145   8.771
   40    HA   LEU   4           HA       LEU   4  -4.251   5.581   9.448
   41   1HB   LEU   4          2HB       LEU   4  -6.096   5.372  10.832
   42   2HB   LEU   4          1HB       LEU   4  -7.219   5.275   9.479
   43    HG   LEU   4           HG       LEU   4  -6.560   2.987   9.023
   44   1HD1  LEU   4          1HD1      LEU   4  -4.887   2.569  11.377
   45   2HD1  LEU   4          2HD1      LEU   4  -4.167   3.725  10.256
   46   3HD1  LEU   4          3HD1      LEU   4  -4.594   2.106   9.700
   47   1HD2  LEU   4          1HD2      LEU   4  -8.045   2.387  10.605
   48   2HD2  LEU   4          2HD2      LEU   4  -7.719   3.878  11.489
   49   3HD2  LEU   4          3HD2      LEU   4  -6.763   2.430  11.816
   50    H    PHE   5           H        PHE   5  -6.220   5.268   6.620
   51    HA   PHE   5           HA       PHE   5  -5.606   2.563   5.901
   52   1HB   PHE   5          2HB       PHE   5  -6.941   4.898   4.885
   53   2HB   PHE   5          1HB       PHE   5  -6.000   4.146   3.598
   54    HD1  PHE   5           HD1      PHE   5  -6.989   2.410   2.399
   55    HD2  PHE   5           HD2      PHE   5  -8.244   3.144   6.439
   56    HE1  PHE   5           HE1      PHE   5  -8.694   0.620   2.193
   57    HE2  PHE   5           HE2      PHE   5  -9.951   1.356   6.233
   58    HZ   PHE   5           HZ       PHE   5 -10.176   0.094   4.110
   59    H    LYS   6           H        LYS   6  -3.765   5.458   5.752
   60    HA   LYS   6           HA       LYS   6  -2.024   4.964   3.573
   61   1HB   LYS   6          2HB       LYS   6  -2.282   6.742   5.772
   62   2HB   LYS   6          1HB       LYS   6  -0.628   6.127   5.808
   63   1HG   LYS   6          2HG       LYS   6  -0.496   6.658   3.326
   64   2HG   LYS   6          1HG       LYS   6  -2.028   7.513   3.510
   65   1HD   LYS   6          2HD       LYS   6  -0.006   8.225   5.532
   66   2HD   LYS   6          1HD       LYS   6   0.443   8.650   3.879
   67   1HE   LYS   6          2HE       LYS   6  -0.776  10.539   4.732
   68   2HE   LYS   6          1HE       LYS   6  -1.912   9.680   3.675
   69   1HZ   LYS   6          1HZ       LYS   6  -3.205   9.220   5.406
   70   2HZ   LYS   6          2HZ       LYS   6  -2.212  10.188   6.386
   71   3HZ   LYS   6          3HZ       LYS   6  -1.916   8.520   6.258
   72    H    LYS   7           H        LYS   7  -2.359   3.218   6.491
   73    HA   LYS   7           HA       LYS   7   0.304   1.894   6.065
   74   1HB   LYS   7          2HB       LYS   7  -1.385   2.274   8.561
   75   2HB   LYS   7          1HB       LYS   7   0.137   1.385   8.506
   76   1HG   LYS   7          2HG       LYS   7   0.986   3.662   7.392
   77   2HG   LYS   7          1HG       LYS   7  -0.350   4.321   8.335
   78   1HD   LYS   7          2HD       LYS   7   1.663   4.378   9.698
   79   2HD   LYS   7          1HD       LYS   7   0.569   3.162  10.356
   80   1HE   LYS   7          2HE       LYS   7   2.085   1.764   8.458
   81   2HE   LYS   7          1HE       LYS   7   3.253   2.810   9.288
   82   1HZ   LYS   7          1HZ       LYS   7   3.137   1.214  10.860
   83   2HZ   LYS   7          2HZ       LYS   7   1.612   0.660  10.357
   84   3HZ   LYS   7          3HZ       LYS   7   1.737   2.046  11.332
   85    H    ILE   8           H        ILE   8  -2.639   1.367   5.082
   86    HA   ILE   8           HA       ILE   8  -3.393  -1.155   6.314
   87    HB   ILE   8           HB       ILE   8  -4.217   0.552   3.988
   88   1HG1  ILE   8          2HG1      ILE   8  -4.980   0.844   6.408
   89   2HG1  ILE   8          1HG1      ILE   8  -6.270   0.704   5.213
   90   1HG2  ILE   8          1HG2      ILE   8  -4.498  -1.515   2.903
   91   2HG2  ILE   8          2HG2      ILE   8  -6.070  -1.254   3.660
   92   3HG2  ILE   8          3HG2      ILE   8  -4.907  -2.353   4.401
   93   1HD1  ILE   8          1HD1      ILE   8  -5.800  -0.945   7.496
   94   2HD1  ILE   8          2HD1      ILE   8  -5.555  -1.934   6.058
   95   3HD1  ILE   8          3HD1      ILE   8  -7.085  -1.090   6.297
   96    H    GLY   9           H        GLY   9  -1.686  -0.260   3.284
   97   1HA   GLY   9          2HA       GLY   9  -0.389  -2.879   3.268
   98   2HA   GLY   9          1HA       GLY   9  -1.565  -2.680   1.971
   99    H    ILE  10           H        ILE  10  -1.073   0.132   1.480
  100    HA   ILE  10           HA       ILE  10   1.056  -0.054  -0.375
  101    HB   ILE  10           HB       ILE  10   0.756   2.462  -0.355
  102   1HG1  ILE  10          2HG1      ILE  10  -1.676   2.637   1.014
  103   2HG1  ILE  10          1HG1      ILE  10  -0.608   1.768   2.113
  104   1HG2  ILE  10          1HG2      ILE  10  -0.793   1.962  -1.904
  105   2HG2  ILE  10          2HG2      ILE  10  -1.979   1.679  -0.631
  106   3HG2  ILE  10          3HG2      ILE  10  -0.957   0.357  -1.193
  107   1HD1  ILE  10          1HD1      ILE  10  -0.452   4.227   2.420
  108   2HD1  ILE  10          2HD1      ILE  10   0.069   4.385   0.743
  109   3HD1  ILE  10          3HD1      ILE  10   1.083   3.529   1.905
  110    H    GLY  11           H        GLY  11   0.966   1.320   2.858
  111   1HA   GLY  11          2HA       GLY  11   3.513   2.480   2.960
  112   2HA   GLY  11          1HA       GLY  11   2.745   1.741   4.355
  113    H    LYS  12           H        LYS  12   2.566  -0.846   3.513
  114    HA   LYS  12           HA       LYS  12   5.244  -1.849   3.973
  115   1HB   LYS  12          2HB       LYS  12   3.639  -3.257   4.853
  116   2HB   LYS  12          1HB       LYS  12   2.472  -2.867   3.594
  117   1HG   LYS  12          2HG       LYS  12   4.873  -4.353   2.686
  118   2HG   LYS  12          1HG       LYS  12   3.779  -5.246   3.741
  119   1HD   LYS  12          2HD       LYS  12   1.936  -4.188   2.133
  120   2HD   LYS  12          1HD       LYS  12   3.293  -4.142   1.006
  121   1HE   LYS  12          2HE       LYS  12   2.370  -6.620   2.511
  122   2HE   LYS  12          1HE       LYS  12   2.052  -6.281   0.797
  123   1HZ   LYS  12          1HZ       LYS  12   4.021  -7.344   0.546
  124   2HZ   LYS  12          2HZ       LYS  12   4.559  -6.975   2.115
  125   3HZ   LYS  12          3HZ       LYS  12   4.651  -5.806   0.887
  126    H    PHE  13           H        PHE  13   3.415  -0.999   1.216
  127    HA   PHE  13           HA       PHE  13   4.815  -2.664  -0.729
  128   1HB   PHE  13          2HB       PHE  13   2.487  -1.828  -0.971
  129   2HB   PHE  13          1HB       PHE  13   3.098  -0.184  -1.006
  130    HD1  PHE  13           HD1      PHE  13   3.558  -3.477  -2.724
  131    HD2  PHE  13           HD2      PHE  13   3.645   0.805  -3.031
  132    HE1  PHE  13           HE1      PHE  13   3.988  -3.664  -5.162
  133    HE2  PHE  13           HE2      PHE  13   4.073   0.623  -5.466
  134    HZ   PHE  13           HZ       PHE  13   4.245  -1.610  -6.532
  135    H    LEU  14           H        LEU  14   4.599   0.808  -0.270
  136    HA   LEU  14           HA       LEU  14   6.849   1.512  -1.875
  137   1HB   LEU  14          2HB       LEU  14   4.880   2.896  -0.891
  138   2HB   LEU  14          1HB       LEU  14   5.910   3.063   0.532
  139    HG   LEU  14           HG       LEU  14   7.706   4.001  -0.875
  140   1HD1  LEU  14          1HD1      LEU  14   5.709   3.389  -3.042
  141   2HD1  LEU  14          2HD1      LEU  14   7.440   3.056  -3.003
  142   3HD1  LEU  14          3HD1      LEU  14   6.865   4.704  -3.253
  143   1HD2  LEU  14          1HD2      LEU  14   6.281   5.648   0.091
  144   2HD2  LEU  14          2HD2      LEU  14   4.970   5.280  -1.030
  145   3HD2  LEU  14          3HD2      LEU  14   6.420   6.103  -1.607
  146    H    HIS  15           H        HIS  15   6.717   0.054   1.201
  147    HA   HIS  15           HA       HIS  15   8.982   1.067   2.538
  148   1HB   HIS  15          2HB       HIS  15   7.343  -1.369   2.489
  149   2HB   HIS  15          1HB       HIS  15   8.989  -1.648   3.049
  150    HD1  HIS  15           HD1      HIS  15   8.449   1.693   4.061
  151    HD2  HIS  15           HD2      HIS  15   6.987  -1.956   5.453
  152    HE1  HIS  15           HE1      HIS  15   7.690   2.088   6.436
  153    H    SER  16           H        SER  16   8.733  -1.067  -0.182
  154    HA   SER  16           HA       SER  16  11.509  -1.939  -0.175
  155   1HB   SER  16          2HB       SER  16   9.541  -3.136  -1.196
  156   2HB   SER  16          1HB       SER  16   9.454  -1.852  -2.401
  157    HG   SER  16           HG       SER  16  10.777  -3.199  -3.390
  158    H    ALA  17           H        ALA  17   9.690   0.711  -1.458
  159    HA   ALA  17           HA       ALA  17  11.537   1.648  -3.434
  160   1HB   ALA  17          1HB       ALA  17   9.507   3.112  -1.722
  161   2HB   ALA  17          2HB       ALA  17   9.154   2.289  -3.241
  162   3HB   ALA  17          3HB       ALA  17  10.191   3.715  -3.232
  163    H    LYS  18           H        LYS  18  11.500   1.851   0.015
  164    HA   LYS  18           HA       LYS  18  13.268   4.147   0.260
  165   1HB   LYS  18          2HB       LYS  18  11.795   2.298   1.917
  166   2HB   LYS  18          1HB       LYS  18  13.440   2.459   2.533
  167   1HG   LYS  18          2HG       LYS  18  13.176   4.951   2.428
  168   2HG   LYS  18          1HG       LYS  18  11.487   4.712   1.981
  169   1HD   LYS  18          2HD       LYS  18  12.713   3.555   4.497
  170   2HD   LYS  18          1HD       LYS  18  11.886   5.112   4.453
  171   1HE   LYS  18          2HE       LYS  18   9.948   3.735   3.309
  172   2HE   LYS  18          1HE       LYS  18  10.739   2.358   4.103
  173   1HZ   LYS  18          1HZ       LYS  18  10.402   3.226   6.175
  174   2HZ   LYS  18          2HZ       LYS  18   9.017   3.831   5.400
  175   3HZ   LYS  18          3HZ       LYS  18  10.370   4.832   5.633
  176    H    LYS  19           H        LYS  19  13.701   0.882  -0.589
  177    HA   LYS  19           HA       LYS  19  16.488   0.671   0.319
  178   1HB   LYS  19          2HB       LYS  19  14.908  -1.103  -1.554
  179   2HB   LYS  19          1HB       LYS  19  16.288  -1.564  -0.554
  180   1HG   LYS  19          2HG       LYS  19  13.637  -0.583   0.539
  181   2HG   LYS  19          1HG       LYS  19  14.099  -2.280   0.422
  182   1HD   LYS  19          2HD       LYS  19  15.288  -2.137   2.328
  183   2HD   LYS  19          1HD       LYS  19  16.218  -0.784   1.687
  184   1HE   LYS  19          2HE       LYS  19  13.885   0.494   2.229
  185   2HE   LYS  19          1HE       LYS  19  13.852  -0.756   3.487
  186   1HZ   LYS  19          1HZ       LYS  19  15.707   1.447   3.128
  187   2HZ   LYS  19          2HZ       LYS  19  16.426  -0.041   3.524
  188   3HZ   LYS  19          3HZ       LYS  19  15.250   0.637   4.546
  189    H    PHE  20           H        PHE  20  14.736   1.658  -2.467
  190    HA   PHE  20           HA       PHE  20  17.215   1.652  -4.144
  191   1HB   PHE  20          2HB       PHE  20  14.377   2.203  -5.035
  192   2HB   PHE  20          1HB       PHE  20  15.730   1.615  -6.002
  193    HD1  PHE  20           HD1      PHE  20  12.751   0.607  -4.592
  194    HD2  PHE  20           HD2      PHE  20  16.865  -0.613  -4.807
  195    HE1  PHE  20           HE1      PHE  20  12.084  -1.730  -4.096
  196    HE2  PHE  20           HE2      PHE  20  16.197  -2.949  -4.313
  197    HZ   PHE  20           HZ       PHE  20  13.808  -3.509  -3.957
  198   1HN   NH2  21          1HN       NH2  21  14.323   3.816  -3.858
  199   2HN   NH2  21          2HN       NH2  21  15.214   5.261  -3.872
  Start of MODEL   15
    1   1H    LYS   1          1H        LYS   1 -10.769   9.427   8.779
    2   2H    LYS   1          2H        LYS   1 -11.430  10.123   7.378
    3   3H    LYS   1          3H        LYS   1 -10.059  10.813   8.108
    4    HA   LYS   1           HA       LYS   1  -9.658   8.047   7.423
    5   1HB   LYS   1          2HB       LYS   1 -10.341  10.121   5.313
    6   2HB   LYS   1          1HB       LYS   1  -9.648   8.537   4.968
    7   1HG   LYS   1          2HG       LYS   1 -11.613   7.443   5.359
    8   2HG   LYS   1          1HG       LYS   1 -12.072   8.523   6.675
    9   1HD   LYS   1          2HD       LYS   1 -12.819  10.212   5.150
   10   2HD   LYS   1          1HD       LYS   1 -12.094   9.379   3.774
   11   1HE   LYS   1          2HE       LYS   1 -14.102   7.852   5.382
   12   2HE   LYS   1          1HE       LYS   1 -14.707   9.135   4.315
   13   1HZ   LYS   1          1HZ       LYS   1 -13.551   6.605   3.624
   14   2HZ   LYS   1          2HZ       LYS   1 -12.762   7.894   2.850
   15   3HZ   LYS   1          3HZ       LYS   1 -14.435   7.681   2.658
   16    H    TRP   2           H        TRP   2  -7.431   7.816   7.114
   17    HA   TRP   2           HA       TRP   2  -5.691   9.967   6.246
   18   1HB   TRP   2          2HB       TRP   2  -6.595  10.024   8.911
   19   2HB   TRP   2          1HB       TRP   2  -4.932   9.440   8.987
   20    HD1  TRP   2           HD1      TRP   2  -4.082  11.119   6.279
   21    HE1  TRP   2           HE1      TRP   2  -3.615  13.640   6.558
   22    HE3  TRP   2           HE3      TRP   2  -6.526  11.979  10.671
   23    HZ2  TRP   2           HZ2      TRP   2  -4.205  15.746   8.407
   24    HZ3  TRP   2           HZ3      TRP   2  -6.563  14.249  11.672
   25    HH2  TRP   2           HH2      TRP   2  -5.405  16.132  10.546
   26    H    LYS   3           H        LYS   3  -3.454   9.158   7.799
   27    HA   LYS   3           HA       LYS   3  -2.131   7.271   6.356
   28   1HB   LYS   3          2HB       LYS   3  -2.080   8.291   9.077
   29   2HB   LYS   3          1HB       LYS   3  -1.454   6.644   8.998
   30   1HG   LYS   3          2HG       LYS   3   0.290   7.233   7.567
   31   2HG   LYS   3          1HG       LYS   3  -0.551   8.663   6.968
   32   1HD   LYS   3          2HD       LYS   3  -0.016   8.697   9.866
   33   2HD   LYS   3          1HD       LYS   3   1.432   8.718   8.859
   34   1HE   LYS   3          2HE       LYS   3  -0.454  10.510   7.674
   35   2HE   LYS   3          1HE       LYS   3  -0.347  10.891   9.406
   36   1HZ   LYS   3          1HZ       LYS   3   1.791  10.839   7.385
   37   2HZ   LYS   3          2HZ       LYS   3   2.173  10.488   9.003
   38   3HZ   LYS   3          3HZ       LYS   3   1.488  11.988   8.595
   39    H    LEU   4           H        LEU   4  -4.654   6.582   8.654
   40    HA   LEU   4           HA       LEU   4  -4.437   3.954   9.327
   41   1HB   LEU   4          2HB       LEU   4  -6.325   5.410   9.867
   42   2HB   LEU   4          1HB       LEU   4  -6.868   5.342   8.190
   43    HG   LEU   4           HG       LEU   4  -7.100   2.863   8.411
   44   1HD1  LEU   4          1HD1      LEU   4  -7.247   2.632  11.230
   45   2HD1  LEU   4          2HD1      LEU   4  -5.709   3.421  10.878
   46   3HD1  LEU   4          3HD1      LEU   4  -6.084   1.857  10.153
   47   1HD2  LEU   4          1HD2      LEU   4  -8.991   3.106  10.272
   48   2HD2  LEU   4          2HD2      LEU   4  -9.169   3.873   8.695
   49   3HD2  LEU   4          3HD2      LEU   4  -8.631   4.821  10.081
   50    H    PHE   5           H        PHE   5  -6.005   4.882   6.279
   51    HA   PHE   5           HA       PHE   5  -5.905   2.145   5.274
   52   1HB   PHE   5          2HB       PHE   5  -7.146   4.685   4.661
   53   2HB   PHE   5          1HB       PHE   5  -6.526   3.923   3.196
   54    HD1  PHE   5           HD1      PHE   5  -7.791   2.348   6.332
   55    HD2  PHE   5           HD2      PHE   5  -8.432   2.996   2.134
   56    HE1  PHE   5           HE1      PHE   5  -9.673   0.734   6.371
   57    HE2  PHE   5           HE2      PHE   5 -10.314   1.382   2.173
   58    HZ   PHE   5           HZ       PHE   5 -10.934   0.250   4.293
   59    H    LYS   6           H        LYS   6  -3.849   4.903   5.013
   60    HA   LYS   6           HA       LYS   6  -2.552   4.254   2.529
   61   1HB   LYS   6          2HB       LYS   6  -2.367   6.152   4.690
   62   2HB   LYS   6          1HB       LYS   6  -0.750   5.580   4.271
   63   1HG   LYS   6          2HG       LYS   6  -1.938   5.944   1.796
   64   2HG   LYS   6          1HG       LYS   6  -2.571   7.293   2.740
   65   1HD   LYS   6          2HD       LYS   6  -0.147   7.688   3.497
   66   2HD   LYS   6          1HD       LYS   6   0.318   6.593   2.194
   67   1HE   LYS   6          2HE       LYS   6   0.414   8.732   1.174
   68   2HE   LYS   6          1HE       LYS   6  -1.185   8.134   0.696
   69   1HZ   LYS   6          1HZ       LYS   6  -1.245   9.318   3.287
   70   2HZ   LYS   6          2HZ       LYS   6  -2.180   9.685   1.919
   71   3HZ   LYS   6          3HZ       LYS   6  -0.665  10.420   2.137
   72    H    LYS   7           H        LYS   7  -2.560   2.554   5.424
   73    HA   LYS   7           HA       LYS   7   0.104   1.319   4.811
   74   1HB   LYS   7          2HB       LYS   7  -1.323   1.426   7.480
   75   2HB   LYS   7          1HB       LYS   7   0.368   1.025   7.179
   76   1HG   LYS   7          2HG       LYS   7   0.594   3.379   6.194
   77   2HG   LYS   7          1HG       LYS   7  -0.976   3.717   6.921
   78   1HD   LYS   7          2HD       LYS   7  -0.121   3.807   9.019
   79   2HD   LYS   7          1HD       LYS   7   0.907   2.399   8.751
   80   1HE   LYS   7          2HE       LYS   7   1.611   4.977   7.376
   81   2HE   LYS   7          1HE       LYS   7   2.028   4.764   9.088
   82   1HZ   LYS   7          1HZ       LYS   7   3.266   3.604   6.834
   83   2HZ   LYS   7          2HZ       LYS   7   2.592   2.365   7.780
   84   3HZ   LYS   7          3HZ       LYS   7   3.698   3.457   8.466
   85    H    ILE   8           H        ILE   8  -3.031   0.773   4.301
   86    HA   ILE   8           HA       ILE   8  -3.510  -1.810   5.504
   87    HB   ILE   8           HB       ILE   8  -4.654  -0.213   3.210
   88   1HG1  ILE   8          2HG1      ILE   8  -4.992   0.432   5.653
   89   2HG1  ILE   8          1HG1      ILE   8  -6.473   0.170   4.731
   90   1HG2  ILE   8          1HG2      ILE   8  -6.560  -2.083   3.698
   91   2HG2  ILE   8          2HG2      ILE   8  -5.107  -3.052   3.939
   92   3HG2  ILE   8          3HG2      ILE   8  -5.372  -2.227   2.404
   93   1HD1  ILE   8          1HD1      ILE   8  -5.148  -1.914   6.494
   94   2HD1  ILE   8          2HD1      ILE   8  -6.679  -2.093   5.635
   95   3HD1  ILE   8          3HD1      ILE   8  -6.541  -0.939   6.962
   96    H    GLY   9           H        GLY   9  -1.780  -0.768   2.632
   97   1HA   GLY   9          2HA       GLY   9  -0.771  -3.465   2.213
   98   2HA   GLY   9          1HA       GLY   9  -1.898  -2.974   0.952
   99    H    ILE  10           H        ILE  10  -1.248  -0.280   0.636
  100    HA   ILE  10           HA       ILE  10   1.189  -0.456  -0.913
  101    HB   ILE  10           HB       ILE  10  -1.027   0.920  -1.120
  102   1HG1  ILE  10          2HG1      ILE  10   1.153   2.656  -1.985
  103   2HG1  ILE  10          1HG1      ILE  10   1.440   0.959  -2.374
  104   1HG2  ILE  10          1HG2      ILE  10   0.794   2.884   0.289
  105   2HG2  ILE  10          2HG2      ILE  10  -0.676   2.193   0.979
  106   3HG2  ILE  10          3HG2      ILE  10  -0.775   3.255  -0.425
  107   1HD1  ILE  10          1HD1      ILE  10   0.042   1.197  -4.126
  108   2HD1  ILE  10          2HD1      ILE  10  -0.411   2.819  -3.601
  109   3HD1  ILE  10          3HD1      ILE  10  -1.274   1.416  -2.970
  110    H    GLY  11           H        GLY  11   0.298   1.063   2.104
  111   1HA   GLY  11          2HA       GLY  11   2.534   2.601   2.697
  112   2HA   GLY  11          1HA       GLY  11   1.687   1.684   3.933
  113    H    LYS  12           H        LYS  12   2.205  -0.816   3.539
  114    HA   LYS  12           HA       LYS  12   5.006  -1.167   4.189
  115   1HB   LYS  12          2HB       LYS  12   4.336  -3.506   4.382
  116   2HB   LYS  12          1HB       LYS  12   3.038  -2.501   5.029
  117   1HG   LYS  12          2HG       LYS  12   1.841  -2.640   2.884
  118   2HG   LYS  12          1HG       LYS  12   3.140  -3.628   2.215
  119   1HD   LYS  12          2HD       LYS  12   2.694  -5.204   4.224
  120   2HD   LYS  12          1HD       LYS  12   1.168  -4.334   4.383
  121   1HE   LYS  12          2HE       LYS  12   0.457  -4.982   2.183
  122   2HE   LYS  12          1HE       LYS  12   2.075  -5.587   1.772
  123   1HZ   LYS  12          1HZ       LYS  12   1.846  -7.104   3.729
  124   2HZ   LYS  12          2HZ       LYS  12   0.802  -7.455   2.437
  125   3HZ   LYS  12          3HZ       LYS  12   0.212  -6.659   3.817
  126    H    PHE  13           H        PHE  13   3.267  -0.989   1.289
  127    HA   PHE  13           HA       PHE  13   4.821  -2.732  -0.411
  128   1HB   PHE  13          2HB       PHE  13   2.459  -1.652  -0.577
  129   2HB   PHE  13          1HB       PHE  13   3.309  -0.263  -1.232
  130    HD1  PHE  13           HD1      PHE  13   4.310  -0.311  -3.418
  131    HD2  PHE  13           HD2      PHE  13   2.457  -3.817  -1.772
  132    HE1  PHE  13           HE1      PHE  13   4.393  -1.400  -5.649
  133    HE2  PHE  13           HE2      PHE  13   2.542  -4.910  -4.001
  134    HZ   PHE  13           HZ       PHE  13   3.508  -3.697  -5.941
  135    H    LEU  14           H        LEU  14   4.825   0.693   0.298
  136    HA   LEU  14           HA       LEU  14   6.926   1.436  -1.520
  137   1HB   LEU  14          2HB       LEU  14   5.081   2.737  -0.047
  138   2HB   LEU  14          1HB       LEU  14   6.490   2.965   0.991
  139    HG   LEU  14           HG       LEU  14   7.759   3.839  -0.956
  140   1HD1  LEU  14          1HD1      LEU  14   6.872   2.970  -2.900
  141   2HD1  LEU  14          2HD1      LEU  14   6.045   4.529  -2.888
  142   3HD1  LEU  14          3HD1      LEU  14   5.211   3.083  -2.317
  143   1HD2  LEU  14          1HD2      LEU  14   7.029   5.835  -0.211
  144   2HD2  LEU  14          2HD2      LEU  14   5.548   5.088   0.390
  145   3HD2  LEU  14          3HD2      LEU  14   5.622   5.694  -1.265
  146    H    HIS  15           H        HIS  15   6.990  -0.177   1.502
  147    HA   HIS  15           HA       HIS  15   9.411   0.673   2.659
  148   1HB   HIS  15          2HB       HIS  15   7.628  -1.615   2.721
  149   2HB   HIS  15          1HB       HIS  15   9.305  -2.127   2.909
  150    HD1  HIS  15           HD1      HIS  15  10.419   0.294   4.456
  151    HD2  HIS  15           HD2      HIS  15   6.804  -1.567   5.384
  152    HE1  HIS  15           HE1      HIS  15   9.934   0.839   6.881
  153    H    SER  16           H        SER  16   8.820  -1.043  -0.257
  154    HA   SER  16           HA       SER  16  11.521  -2.111  -0.591
  155   1HB   SER  16          2HB       SER  16   9.589  -3.205  -1.601
  156   2HB   SER  16          1HB       SER  16   9.139  -1.712  -2.420
  157    HG   SER  16           HG       SER  16  11.098  -3.574  -3.020
  158    H    ALA  17           H        ALA  17   9.751   0.755  -1.395
  159    HA   ALA  17           HA       ALA  17  11.613   1.815  -3.345
  160   1HB   ALA  17          1HB       ALA  17   9.941   3.673  -1.770
  161   2HB   ALA  17          2HB       ALA  17   9.054   2.329  -2.489
  162   3HB   ALA  17          3HB       ALA  17   9.992   3.417  -3.515
  163    H    LYS  18           H        LYS  18  11.777   1.412   0.006
  164    HA   LYS  18           HA       LYS  18  13.214   3.806   0.754
  165   1HB   LYS  18          2HB       LYS  18  12.144   1.478   1.945
  166   2HB   LYS  18          1HB       LYS  18  13.870   1.462   2.317
  167   1HG   LYS  18          2HG       LYS  18  12.988   4.138   2.647
  168   2HG   LYS  18          1HG       LYS  18  11.808   3.110   3.459
  169   1HD   LYS  18          2HD       LYS  18  14.765   2.677   3.856
  170   2HD   LYS  18          1HD       LYS  18  13.885   3.870   4.814
  171   1HE   LYS  18          2HE       LYS  18  13.099   0.941   4.583
  172   2HE   LYS  18          1HE       LYS  18  13.967   1.655   5.958
  173   1HZ   LYS  18          1HZ       LYS  18  12.047   3.401   5.795
  174   2HZ   LYS  18          2HZ       LYS  18  11.814   1.946   6.639
  175   3HZ   LYS  18          3HZ       LYS  18  11.211   2.122   5.060
  176    H    LYS  19           H        LYS  19  14.042   0.788  -0.695
  177    HA   LYS  19           HA       LYS  19  16.918   0.971  -0.251
  178   1HB   LYS  19          2HB       LYS  19  16.077  -1.202  -0.500
  179   2HB   LYS  19          1HB       LYS  19  14.978  -0.728  -1.794
  180   1HG   LYS  19          2HG       LYS  19  16.818  -2.038  -2.721
  181   2HG   LYS  19          1HG       LYS  19  16.932  -0.371  -3.287
  182   1HD   LYS  19          2HD       LYS  19  19.142  -1.159  -2.578
  183   2HD   LYS  19          1HD       LYS  19  18.578   0.107  -1.487
  184   1HE   LYS  19          2HE       LYS  19  17.676  -2.509  -0.578
  185   2HE   LYS  19          1HE       LYS  19  19.444  -2.452  -0.728
  186   1HZ   LYS  19          1HZ       LYS  19  19.050  -1.513   1.348
  187   2HZ   LYS  19          2HZ       LYS  19  17.668  -0.675   0.826
  188   3HZ   LYS  19          3HZ       LYS  19  19.211  -0.157   0.344
  189    H    PHE  20           H        PHE  20  14.742   2.534  -2.293
  190    HA   PHE  20           HA       PHE  20  16.909   3.201  -4.253
  191   1HB   PHE  20          2HB       PHE  20  13.892   3.086  -4.596
  192   2HB   PHE  20          1HB       PHE  20  15.053   3.465  -5.869
  193    HD1  PHE  20           HD1      PHE  20  17.237   1.577  -5.308
  194    HD2  PHE  20           HD2      PHE  20  12.984   0.983  -5.187
  195    HE1  PHE  20           HE1      PHE  20  17.564  -0.840  -5.743
  196    HE2  PHE  20           HE2      PHE  20  13.312  -1.437  -5.622
  197    HZ   PHE  20           HZ       PHE  20  15.601  -2.347  -5.901
  198   1HN   NH2  21          1HN       NH2  21  15.790   4.508  -1.577
  199   2HN   NH2  21          2HN       NH2  21  15.557   6.128  -2.028
  Start of MODEL   16
    1   1H    LYS   1          1H        LYS   1  -7.271 -16.183  -2.916
    2   2H    LYS   1          2H        LYS   1  -7.310 -14.668  -2.149
    3   3H    LYS   1          3H        LYS   1  -7.940 -16.037  -1.364
    4    HA   LYS   1           HA       LYS   1  -5.615 -15.207  -0.669
    5   1HB   LYS   1          2HB       LYS   1  -5.006 -17.708  -0.492
    6   2HB   LYS   1          1HB       LYS   1  -6.559 -17.223   0.186
    7   1HG   LYS   1          2HG       LYS   1  -7.646 -17.863  -1.978
    8   2HG   LYS   1          1HG       LYS   1  -6.088 -18.479  -2.531
    9   1HD   LYS   1          2HD       LYS   1  -6.324 -20.385  -1.345
   10   2HD   LYS   1          1HD       LYS   1  -6.770 -19.498   0.115
   11   1HE   LYS   1          2HE       LYS   1  -9.077 -19.413  -0.523
   12   2HE   LYS   1          1HE       LYS   1  -8.708 -19.940  -2.178
   13   1HZ   LYS   1          1HZ       LYS   1  -8.545 -21.495   0.328
   14   2HZ   LYS   1          2HZ       LYS   1  -7.647 -21.949  -1.041
   15   3HZ   LYS   1          3HZ       LYS   1  -9.344 -21.894  -1.114
   16    H    TRP   2           H        TRP   2  -4.953 -14.062  -2.848
   17    HA   TRP   2           HA       TRP   2  -2.705 -15.616  -3.983
   18   1HB   TRP   2          2HB       TRP   2  -5.278 -15.189  -5.275
   19   2HB   TRP   2          1HB       TRP   2  -3.959 -14.514  -6.231
   20    HD1  TRP   2           HD1      TRP   2  -5.737 -17.354  -6.615
   21    HE1  TRP   2           HE1      TRP   2  -4.362 -19.473  -7.132
   22    HE3  TRP   2           HE3      TRP   2  -1.130 -15.837  -5.012
   23    HZ2  TRP   2           HZ2      TRP   2  -1.670 -20.404  -6.898
   24    HZ3  TRP   2           HZ3      TRP   2   0.820 -17.361  -5.172
   25    HH2  TRP   2           HH2      TRP   2   0.556 -19.639  -6.111
   26    H    LYS   3           H        LYS   3  -2.196 -13.877  -6.112
   27    HA   LYS   3           HA       LYS   3  -0.801 -11.743  -4.833
   28   1HB   LYS   3          2HB       LYS   3  -0.567 -13.024  -7.121
   29   2HB   LYS   3          1HB       LYS   3  -1.582 -11.714  -7.726
   30   1HG   LYS   3          2HG       LYS   3   0.232 -10.398  -7.839
   31   2HG   LYS   3          1HG       LYS   3   0.399 -10.521  -6.087
   32   1HD   LYS   3          2HD       LYS   3   1.700 -12.597  -6.349
   33   2HD   LYS   3          1HD       LYS   3   1.531 -12.484  -8.101
   34   1HE   LYS   3          2HE       LYS   3   3.620 -11.473  -7.789
   35   2HE   LYS   3          1HE       LYS   3   2.553 -10.057  -7.707
   36   1HZ   LYS   3          1HZ       LYS   3   2.419 -10.322  -5.316
   37   2HZ   LYS   3          2HZ       LYS   3   4.043 -10.160  -5.788
   38   3HZ   LYS   3          3HZ       LYS   3   3.423 -11.687  -5.378
   39    H    LEU   4           H        LEU   4  -4.112 -11.939  -5.464
   40    HA   LEU   4           HA       LEU   4  -4.703  -9.299  -6.391
   41   1HB   LEU   4          2HB       LEU   4  -6.813 -10.138  -6.267
   42   2HB   LEU   4          1HB       LEU   4  -6.051 -11.640  -5.763
   43    HG   LEU   4           HG       LEU   4  -6.793  -9.495  -3.766
   44   1HD1  LEU   4          1HD1      LEU   4  -8.861 -10.020  -4.874
   45   2HD1  LEU   4          2HD1      LEU   4  -8.843 -10.922  -3.359
   46   3HD1  LEU   4          3HD1      LEU   4  -8.486 -11.743  -4.879
   47   1HD2  LEU   4          1HD2      LEU   4  -6.514 -11.212  -2.167
   48   2HD2  LEU   4          2HD2      LEU   4  -5.195 -11.492  -3.303
   49   3HD2  LEU   4          3HD2      LEU   4  -6.651 -12.485  -3.381
   50    H    PHE   5           H        PHE   5  -3.622 -10.474  -3.376
   51    HA   PHE   5           HA       PHE   5  -4.583  -8.212  -1.779
   52   1HB   PHE   5          2HB       PHE   5  -3.449 -10.848  -1.461
   53   2HB   PHE   5          1HB       PHE   5  -2.606  -9.690  -0.434
   54    HD1  PHE   5           HD1      PHE   5  -5.463 -11.775  -0.710
   55    HD2  PHE   5           HD2      PHE   5  -4.151  -8.001   0.864
   56    HE1  PHE   5           HE1      PHE   5  -7.375 -11.769   0.872
   57    HE2  PHE   5           HE2      PHE   5  -6.060  -7.994   2.448
   58    HZ   PHE   5           HZ       PHE   5  -7.672  -9.879   2.452
   59    H    LYS   6           H        LYS   6  -1.806  -8.973  -3.651
   60    HA   LYS   6           HA       LYS   6   0.261  -7.568  -2.372
   61   1HB   LYS   6          2HB       LYS   6   1.371  -7.918  -4.366
   62   2HB   LYS   6          1HB       LYS   6   0.003  -8.994  -4.628
   63   1HG   LYS   6          2HG       LYS   6  -1.178  -7.202  -5.852
   64   2HG   LYS   6          1HG       LYS   6   0.187  -6.118  -5.582
   65   1HD   LYS   6          2HD       LYS   6   0.858  -8.741  -6.790
   66   2HD   LYS   6          1HD       LYS   6  -0.076  -7.648  -7.810
   67   1HE   LYS   6          2HE       LYS   6   1.930  -6.061  -6.568
   68   2HE   LYS   6          1HE       LYS   6   2.731  -7.522  -7.182
   69   1HZ   LYS   6          1HZ       LYS   6   2.142  -5.470  -8.745
   70   2HZ   LYS   6          2HZ       LYS   6   0.682  -6.328  -8.881
   71   3HZ   LYS   6          3HZ       LYS   6   2.149  -7.069  -9.308
   72    H    LYS   7           H        LYS   7  -2.605  -6.265  -3.723
   73    HA   LYS   7           HA       LYS   7  -1.402  -3.548  -3.958
   74   1HB   LYS   7          2HB       LYS   7  -4.007  -4.809  -4.849
   75   2HB   LYS   7          1HB       LYS   7  -3.655  -3.091  -5.042
   76   1HG   LYS   7          2HG       LYS   7  -1.380  -4.255  -6.060
   77   2HG   LYS   7          1HG       LYS   7  -2.632  -5.393  -6.560
   78   1HD   LYS   7          2HD       LYS   7  -3.584  -3.910  -8.000
   79   2HD   LYS   7          1HD       LYS   7  -3.335  -2.546  -6.910
   80   1HE   LYS   7          2HE       LYS   7  -1.318  -2.006  -7.849
   81   2HE   LYS   7          1HE       LYS   7  -0.859  -3.708  -8.067
   82   1HZ   LYS   7          1HZ       LYS   7  -2.400  -3.900  -9.879
   83   2HZ   LYS   7          2HZ       LYS   7  -1.369  -2.585 -10.188
   84   3HZ   LYS   7          3HZ       LYS   7  -2.956  -2.315  -9.644
   85    H    ILE   8           H        ILE   8  -3.185  -5.457  -1.795
   86    HA   ILE   8           HA       ILE   8  -4.756  -3.273  -0.608
   87    HB   ILE   8           HB       ILE   8  -4.138  -6.067   0.402
   88   1HG1  ILE   8          2HG1      ILE   8  -6.313  -5.053  -1.456
   89   2HG1  ILE   8          1HG1      ILE   8  -5.053  -6.221  -1.850
   90   1HG2  ILE   8          1HG2      ILE   8  -6.746  -4.763   0.899
   91   2HG2  ILE   8          2HG2      ILE   8  -5.371  -4.015   1.712
   92   3HG2  ILE   8          3HG2      ILE   8  -5.738  -5.717   1.987
   93   1HD1  ILE   8          1HD1      ILE   8  -7.576  -6.882  -0.973
   94   2HD1  ILE   8          2HD1      ILE   8  -6.643  -6.943   0.522
   95   3HD1  ILE   8          3HD1      ILE   8  -6.167  -7.933  -0.856
   96    H    GLY   9           H        GLY   9  -1.522  -4.231  -0.458
   97   1HA   GLY   9          2HA       GLY   9  -1.231  -2.934   2.222
   98   2HA   GLY   9          1HA       GLY   9  -0.221  -4.292   1.725
   99    H    ILE  10           H        ILE  10  -1.214  -1.356  -0.071
  100    HA   ILE  10           HA       ILE  10   1.262  -0.980  -1.359
  101    HB   ILE  10           HB       ILE  10   0.356   1.310  -1.691
  102   1HG1  ILE  10          2HG1      ILE  10  -1.695   0.346   0.308
  103   2HG1  ILE  10          1HG1      ILE  10  -0.637   1.747   0.460
  104   1HG2  ILE  10          1HG2      ILE  10  -1.336   0.611  -3.122
  105   2HG2  ILE  10          2HG2      ILE  10  -1.963  -0.557  -1.959
  106   3HG2  ILE  10          3HG2      ILE  10  -0.479  -0.906  -2.847
  107   1HD1  ILE  10          1HD1      ILE  10  -2.877   2.477  -0.193
  108   2HD1  ILE  10          2HD1      ILE  10  -2.852   1.389  -1.580
  109   3HD1  ILE  10          3HD1      ILE  10  -1.751   2.766  -1.518
  110    H    GLY  11           H        GLY  11   0.012   0.417   1.606
  111   1HA   GLY  11          2HA       GLY  11   2.015   2.209   2.299
  112   2HA   GLY  11          1HA       GLY  11   1.158   1.252   3.500
  113    H    LYS  12           H        LYS  12   2.000  -1.260   2.877
  114    HA   LYS  12           HA       LYS  12   4.680  -1.322   4.010
  115   1HB   LYS  12          2HB       LYS  12   3.150  -3.025   4.663
  116   2HB   LYS  12          1HB       LYS  12   2.673  -3.338   2.993
  117   1HG   LYS  12          2HG       LYS  12   5.547  -3.688   3.444
  118   2HG   LYS  12          1HG       LYS  12   4.559  -4.781   4.412
  119   1HD   LYS  12          2HD       LYS  12   3.518  -4.584   1.713
  120   2HD   LYS  12          1HD       LYS  12   5.214  -5.074   1.694
  121   1HE   LYS  12          2HE       LYS  12   3.724  -7.053   1.867
  122   2HE   LYS  12          1HE       LYS  12   4.688  -6.870   3.346
  123   1HZ   LYS  12          1HZ       LYS  12   2.902  -5.759   4.418
  124   2HZ   LYS  12          2HZ       LYS  12   2.255  -7.176   3.742
  125   3HZ   LYS  12          3HZ       LYS  12   1.994  -5.677   2.988
  126    H    PHE  13           H        PHE  13   3.401  -1.137   0.871
  127    HA   PHE  13           HA       PHE  13   5.434  -2.553  -0.604
  128   1HB   PHE  13          2HB       PHE  13   2.996  -1.624  -1.144
  129   2HB   PHE  13          1HB       PHE  13   3.913  -0.228  -1.703
  130    HD1  PHE  13           HD1      PHE  13   3.438  -3.884  -2.138
  131    HD2  PHE  13           HD2      PHE  13   5.207  -0.298  -3.702
  132    HE1  PHE  13           HE1      PHE  13   3.999  -5.079  -4.241
  133    HE2  PHE  13           HE2      PHE  13   5.770  -1.489  -5.805
  134    HZ   PHE  13           HZ       PHE  13   5.166  -3.880  -6.074
  135    H    LEU  14           H        LEU  14   4.881   0.818   0.202
  136    HA   LEU  14           HA       LEU  14   7.156   1.896  -1.150
  137   1HB   LEU  14          2HB       LEU  14   4.967   2.760   0.416
  138   2HB   LEU  14          1HB       LEU  14   6.412   3.381   1.213
  139    HG   LEU  14           HG       LEU  14   7.113   4.551  -0.735
  140   1HD1  LEU  14          1HD1      LEU  14   6.873   3.184  -2.580
  141   2HD1  LEU  14          2HD1      LEU  14   5.484   4.242  -2.832
  142   3HD1  LEU  14          3HD1      LEU  14   5.262   2.650  -2.105
  143   1HD2  LEU  14          1HD2      LEU  14   5.360   6.096  -1.025
  144   2HD2  LEU  14          2HD2      LEU  14   4.980   5.352   0.528
  145   3HD2  LEU  14          3HD2      LEU  14   4.121   4.845  -0.927
  146    H    HIS  15           H        HIS  15   6.890   0.125   1.779
  147    HA   HIS  15           HA       HIS  15   9.128   1.102   3.233
  148   1HB   HIS  15          2HB       HIS  15   7.766  -1.573   2.928
  149   2HB   HIS  15          1HB       HIS  15   9.166  -1.397   3.985
  150    HD1  HIS  15           HD1      HIS  15   8.063   1.721   4.586
  151    HD2  HIS  15           HD2      HIS  15   6.216  -1.930   5.389
  152    HE1  HIS  15           HE1      HIS  15   6.388   2.157   6.429
  153    H    SER  16           H        SER  16   8.845  -1.042   0.509
  154    HA   SER  16           HA       SER  16  11.657  -1.800   0.414
  155   1HB   SER  16          2HB       SER  16   9.728  -3.140  -0.461
  156   2HB   SER  16          1HB       SER  16   9.469  -1.891  -1.679
  157    HG   SER  16           HG       SER  16  10.775  -3.679  -2.399
  158    H    ALA  17           H        ALA  17   9.659   0.740  -0.842
  159    HA   ALA  17           HA       ALA  17  11.098   1.727  -3.027
  160   1HB   ALA  17          1HB       ALA  17   8.922   2.549  -2.085
  161   2HB   ALA  17          2HB       ALA  17  10.049   3.858  -2.444
  162   3HB   ALA  17          3HB       ALA  17   9.826   3.317  -0.781
  163    H    LYS  18           H        LYS  18  11.999   1.647   0.297
  164    HA   LYS  18           HA       LYS  18  13.886   3.787   0.394
  165   1HB   LYS  18          2HB       LYS  18  12.910   2.396   2.275
  166   2HB   LYS  18          1HB       LYS  18  14.019   1.109   1.800
  167   1HG   LYS  18          2HG       LYS  18  15.210   3.805   2.190
  168   2HG   LYS  18          1HG       LYS  18  14.663   2.968   3.643
  169   1HD   LYS  18          2HD       LYS  18  16.363   1.558   1.588
  170   2HD   LYS  18          1HD       LYS  18  17.094   2.542   2.855
  171   1HE   LYS  18          2HE       LYS  18  17.012   0.583   4.056
  172   2HE   LYS  18          1HE       LYS  18  15.324   1.056   4.325
  173   1HZ   LYS  18          1HZ       LYS  18  15.657  -0.138   1.762
  174   2HZ   LYS  18          2HZ       LYS  18  14.617  -0.587   3.026
  175   3HZ   LYS  18          3HZ       LYS  18  16.206  -1.186   2.977
  176    H    LYS  19           H        LYS  19  13.977   0.776  -1.234
  177    HA   LYS  19           HA       LYS  19  16.908   0.594  -1.370
  178   1HB   LYS  19          2HB       LYS  19  15.580  -1.423  -1.258
  179   2HB   LYS  19          1HB       LYS  19  14.598  -0.907  -2.628
  180   1HG   LYS  19          2HG       LYS  19  16.042  -1.938  -4.007
  181   2HG   LYS  19          1HG       LYS  19  17.296  -0.813  -3.487
  182   1HD   LYS  19          2HD       LYS  19  18.188  -2.952  -3.001
  183   2HD   LYS  19          1HD       LYS  19  17.595  -2.358  -1.450
  184   1HE   LYS  19          2HE       LYS  19  15.388  -3.584  -2.021
  185   2HE   LYS  19          1HE       LYS  19  16.338  -4.428  -3.262
  186   1HZ   LYS  19          1HZ       LYS  19  16.308  -5.457  -0.950
  187   2HZ   LYS  19          2HZ       LYS  19  17.298  -4.161  -0.476
  188   3HZ   LYS  19          3HZ       LYS  19  17.827  -5.242  -1.674
  189    H    PHE  20           H        PHE  20  14.381   2.108  -3.120
  190    HA   PHE  20           HA       PHE  20  16.204   2.549  -5.464
  191   1HB   PHE  20          2HB       PHE  20  13.199   2.893  -5.366
  192   2HB   PHE  20          1HB       PHE  20  14.220   2.690  -6.788
  193    HD1  PHE  20           HD1      PHE  20  12.151   1.024  -4.419
  194    HD2  PHE  20           HD2      PHE  20  15.600   0.468  -6.919
  195    HE1  PHE  20           HE1      PHE  20  11.849  -1.433  -4.291
  196    HE2  PHE  20           HE2      PHE  20  15.298  -1.989  -6.791
  197    HZ   PHE  20           HZ       PHE  20  13.421  -2.940  -5.477
  198   1HN   NH2  21          1HN       NH2  21  16.784   4.728  -5.879
  199   2HN   NH2  21          2HN       NH2  21  16.113   6.068  -5.084
  Start of MODEL   17
    1   1H    LYS   1          1H        LYS   1 -10.774   8.638   8.513
    2   2H    LYS   1          2H        LYS   1 -12.400   8.605   8.999
    3   3H    LYS   1          3H        LYS   1 -11.907   9.636   7.742
    4    HA   LYS   1           HA       LYS   1 -11.291   6.845   7.278
    5   1HB   LYS   1          2HB       LYS   1 -13.797   7.585   8.414
    6   2HB   LYS   1          1HB       LYS   1 -14.085   7.243   6.708
    7   1HG   LYS   1          2HG       LYS   1 -13.625   5.028   6.945
    8   2HG   LYS   1          1HG       LYS   1 -12.285   5.328   8.052
    9   1HD   LYS   1          2HD       LYS   1 -14.973   5.966   9.118
   10   2HD   LYS   1          1HD       LYS   1 -14.662   4.253   8.827
   11   1HE   LYS   1          2HE       LYS   1 -12.318   5.012  10.033
   12   2HE   LYS   1          1HE       LYS   1 -13.496   6.042  10.869
   13   1HZ   LYS   1          1HZ       LYS   1 -13.840   3.126  10.409
   14   2HZ   LYS   1          2HZ       LYS   1 -14.868   4.141  11.305
   15   3HZ   LYS   1          3HZ       LYS   1 -13.299   3.802  11.867
   16    H    TRP   2           H        TRP   2 -10.112   7.744   5.507
   17    HA   TRP   2           HA       TRP   2 -11.774   8.514   3.206
   18   1HB   TRP   2          2HB       TRP   2 -10.927  10.709   2.980
   19   2HB   TRP   2          1HB       TRP   2 -11.299  10.557   4.695
   20    HD1  TRP   2           HD1      TRP   2  -8.535  11.344   2.355
   21    HE1  TRP   2           HE1      TRP   2  -6.321  11.614   3.647
   22    HE3  TRP   2           HE3      TRP   2  -9.926   9.458   6.884
   23    HZ2  TRP   2           HZ2      TRP   2  -5.278  11.104   6.266
   24    HZ3  TRP   2           HZ3      TRP   2  -8.309   9.361   8.762
   25    HH2  TRP   2           HH2      TRP   2  -5.988  10.180   8.457
   26    H    LYS   3           H        LYS   3  -9.548   9.712   1.850
   27    HA   LYS   3           HA       LYS   3  -8.436   7.592   0.451
   28   1HB   LYS   3          2HB       LYS   3  -7.578  10.398   1.063
   29   2HB   LYS   3          1HB       LYS   3  -6.533   9.370   0.084
   30   1HG   LYS   3          2HG       LYS   3  -8.200   9.082  -1.586
   31   2HG   LYS   3          1HG       LYS   3  -9.470   9.706  -0.534
   32   1HD   LYS   3          2HD       LYS   3  -9.086  11.609  -1.773
   33   2HD   LYS   3          1HD       LYS   3  -7.859  11.851  -0.528
   34   1HE   LYS   3          2HE       LYS   3  -6.735  12.170  -2.632
   35   2HE   LYS   3          1HE       LYS   3  -6.258  10.555  -2.077
   36   1HZ   LYS   3          1HZ       LYS   3  -7.205   9.698  -3.878
   37   2HZ   LYS   3          2HZ       LYS   3  -7.691  11.238  -4.400
   38   3HZ   LYS   3          3HZ       LYS   3  -8.709  10.318  -3.399
   39    H    LEU   4           H        LEU   4  -7.568   8.574   3.647
   40    HA   LEU   4           HA       LEU   4  -4.894   7.850   3.904
   41   1HB   LEU   4          2HB       LEU   4  -5.776   8.580   5.892
   42   2HB   LEU   4          1HB       LEU   4  -7.329   7.804   5.604
   43    HG   LEU   4           HG       LEU   4  -6.424   5.643   6.248
   44   1HD1  LEU   4          1HD1      LEU   4  -3.948   6.892   5.567
   45   2HD1  LEU   4          2HD1      LEU   4  -4.232   5.204   5.993
   46   3HD1  LEU   4          3HD1      LEU   4  -3.846   6.378   7.251
   47   1HD2  LEU   4          1HD2      LEU   4  -7.073   6.542   8.256
   48   2HD2  LEU   4          2HD2      LEU   4  -6.103   7.998   8.033
   49   3HD2  LEU   4          3HD2      LEU   4  -5.339   6.504   8.577
   50    H    PHE   5           H        PHE   5  -7.659   5.769   3.485
   51    HA   PHE   5           HA       PHE   5  -6.504   3.260   4.153
   52   1HB   PHE   5          2HB       PHE   5  -8.820   4.365   2.761
   53   2HB   PHE   5          1HB       PHE   5  -8.301   2.830   2.073
   54    HD1  PHE   5           HD1      PHE   5  -7.932   3.928   5.615
   55    HD2  PHE   5           HD2      PHE   5 -10.005   1.361   2.863
   56    HE1  PHE   5           HE1      PHE   5  -8.976   2.728   7.519
   57    HE2  PHE   5           HE2      PHE   5 -11.048   0.162   4.765
   58    HZ   PHE   5           HZ       PHE   5 -10.534   0.845   7.094
   59    H    LYS   6           H        LYS   6  -6.137   5.273   1.356
   60    HA   LYS   6           HA       LYS   6  -5.135   3.274  -0.451
   61   1HB   LYS   6          2HB       LYS   6  -5.127   5.075  -1.840
   62   2HB   LYS   6          1HB       LYS   6  -5.801   5.976  -0.489
   63   1HG   LYS   6          2HG       LYS   6  -3.633   6.760   0.180
   64   2HG   LYS   6          1HG       LYS   6  -2.823   5.650  -0.927
   65   1HD   LYS   6          2HD       LYS   6  -4.136   6.853  -2.797
   66   2HD   LYS   6          1HD       LYS   6  -4.447   8.106  -1.595
   67   1HE   LYS   6          2HE       LYS   6  -2.013   8.385  -1.246
   68   2HE   LYS   6          1HE       LYS   6  -1.700   7.137  -2.469
   69   1HZ   LYS   6          1HZ       LYS   6  -3.341   8.583  -3.861
   70   2HZ   LYS   6          2HZ       LYS   6  -1.701   9.016  -3.766
   71   3HZ   LYS   6          3HZ       LYS   6  -2.851   9.820  -2.810
   72    H    LYS   7           H        LYS   7  -3.872   4.542   2.410
   73    HA   LYS   7           HA       LYS   7  -1.038   4.367   1.715
   74   1HB   LYS   7          2HB       LYS   7  -1.746   5.937   3.401
   75   2HB   LYS   7          1HB       LYS   7  -2.626   4.683   4.275
   76   1HG   LYS   7          2HG       LYS   7   0.096   3.837   3.945
   77   2HG   LYS   7          1HG       LYS   7   0.085   5.465   4.625
   78   1HD   LYS   7          2HD       LYS   7  -1.147   4.807   6.512
   79   2HD   LYS   7          1HD       LYS   7  -1.750   3.348   5.725
   80   1HE   LYS   7          2HE       LYS   7   0.844   2.737   5.631
   81   2HE   LYS   7          1HE       LYS   7   0.901   3.832   7.028
   82   1HZ   LYS   7          1HZ       LYS   7  -1.352   2.012   6.977
   83   2HZ   LYS   7          2HZ       LYS   7  -0.350   2.464   8.273
   84   3HZ   LYS   7          3HZ       LYS   7   0.155   1.262   7.186
   85    H    ILE   8           H        ILE   8  -3.524   2.264   2.882
   86    HA   ILE   8           HA       ILE   8  -1.793   0.251   4.072
   87    HB   ILE   8           HB       ILE   8  -4.655   0.384   3.102
   88   1HG1  ILE   8          2HG1      ILE   8  -4.999   0.010   5.610
   89   2HG1  ILE   8          1HG1      ILE   8  -3.265   0.276   5.790
   90   1HG2  ILE   8          1HG2      ILE   8  -3.010  -1.976   3.688
   91   2HG2  ILE   8          2HG2      ILE   8  -4.591  -1.874   2.916
   92   3HG2  ILE   8          3HG2      ILE   8  -4.468  -1.886   4.675
   93   1HD1  ILE   8          1HD1      ILE   8  -4.906   2.264   4.250
   94   2HD1  ILE   8          2HD1      ILE   8  -3.402   2.511   5.138
   95   3HD1  ILE   8          3HD1      ILE   8  -4.919   2.310   6.013
   96    H    GLY   9           H        GLY   9  -2.737   1.052   0.829
   97   1HA   GLY   9          2HA       GLY   9  -1.804  -1.600  -0.167
   98   2HA   GLY   9          1HA       GLY   9  -2.749  -0.444  -1.106
   99    H    ILE  10           H        ILE  10  -0.129   0.722   0.839
  100    HA   ILE  10           HA       ILE  10   1.810   0.704  -1.373
  101    HB   ILE  10           HB       ILE  10   0.021   2.577  -1.548
  102   1HG1  ILE  10          2HG1      ILE  10   2.595   3.934  -1.733
  103   2HG1  ILE  10          1HG1      ILE  10   2.647   2.308  -2.418
  104   1HG2  ILE  10          1HG2      ILE  10   0.648   4.637  -0.337
  105   2HG2  ILE  10          2HG2      ILE  10   1.904   3.740   0.517
  106   3HG2  ILE  10          3HG2      ILE  10   0.205   3.345   0.779
  107   1HD1  ILE  10          1HD1      ILE  10   0.206   3.412  -3.287
  108   2HD1  ILE  10          2HD1      ILE  10   1.649   3.129  -4.263
  109   3HD1  ILE  10          3HD1      ILE  10   1.401   4.694  -3.487
  110    H    GLY  11           H        GLY  11   0.909   1.922   1.772
  111   1HA   GLY  11          2HA       GLY  11   3.297   2.797   2.860
  112   2HA   GLY  11          1HA       GLY  11   2.133   1.885   3.811
  113    H    LYS  12           H        LYS  12   2.242  -0.521   3.451
  114    HA   LYS  12           HA       LYS  12   4.834  -1.549   4.047
  115   1HB   LYS  12          2HB       LYS  12   2.709  -2.624   4.649
  116   2HB   LYS  12          1HB       LYS  12   2.348  -2.882   2.941
  117   1HG   LYS  12          2HG       LYS  12   4.818  -4.019   3.107
  118   2HG   LYS  12          1HG       LYS  12   4.196  -4.355   4.723
  119   1HD   LYS  12          2HD       LYS  12   2.386  -4.853   2.396
  120   2HD   LYS  12          1HD       LYS  12   3.693  -6.000   2.689
  121   1HE   LYS  12          2HE       LYS  12   1.825  -6.833   3.941
  122   2HE   LYS  12          1HE       LYS  12   2.866  -6.043   5.142
  123   1HZ   LYS  12          1HZ       LYS  12   0.479  -5.347   5.220
  124   2HZ   LYS  12          2HZ       LYS  12   0.688  -4.641   3.690
  125   3HZ   LYS  12          3HZ       LYS  12   1.578  -4.071   5.021
  126    H    PHE  13           H        PHE  13   3.373  -0.645   1.116
  127    HA   PHE  13           HA       PHE  13   4.840  -2.357  -0.716
  128   1HB   PHE  13          2HB       PHE  13   2.602  -0.864  -0.789
  129   2HB   PHE  13          1HB       PHE  13   3.730   0.304  -1.467
  130    HD1  PHE  13           HD1      PHE  13   5.421  -2.294  -2.496
  131    HD2  PHE  13           HD2      PHE  13   1.464  -0.727  -3.066
  132    HE1  PHE  13           HE1      PHE  13   5.290  -3.446  -4.690
  133    HE2  PHE  13           HE2      PHE  13   1.329  -1.881  -5.264
  134    HZ   PHE  13           HZ       PHE  13   3.241  -3.239  -6.073
  135    H    LEU  14           H        LEU  14   5.109   0.948   0.439
  136    HA   LEU  14           HA       LEU  14   7.384   1.698  -1.149
  137   1HB   LEU  14          2HB       LEU  14   5.564   2.873   0.602
  138   2HB   LEU  14          1HB       LEU  14   7.106   3.025   1.446
  139    HG   LEU  14           HG       LEU  14   8.108   4.158  -0.434
  140   1HD1  LEU  14          1HD1      LEU  14   5.671   3.139  -1.837
  141   2HD1  LEU  14          2HD1      LEU  14   7.341   3.208  -2.398
  142   3HD1  LEU  14          3HD1      LEU  14   6.356   4.671  -2.381
  143   1HD2  LEU  14          1HD2      LEU  14   6.058   5.919  -0.805
  144   2HD2  LEU  14          2HD2      LEU  14   7.083   5.898   0.631
  145   3HD2  LEU  14          3HD2      LEU  14   5.517   5.089   0.655
  146    H    HIS  15           H        HIS  15   7.106  -0.431   1.464
  147    HA   HIS  15           HA       HIS  15   9.454  -0.032   2.975
  148   1HB   HIS  15          2HB       HIS  15   7.657  -2.261   2.227
  149   2HB   HIS  15          1HB       HIS  15   9.254  -2.749   2.789
  150    HD1  HIS  15           HD1      HIS  15   9.626  -2.735   5.266
  151    HD2  HIS  15           HD2      HIS  15   6.281  -0.491   4.188
  152    HE1  HIS  15           HE1      HIS  15   8.516  -2.021   7.427
  153    H    SER  16           H        SER  16   8.967  -1.719  -0.058
  154    HA   SER  16           HA       SER  16  11.776  -2.422  -0.421
  155   1HB   SER  16          2HB       SER  16   9.668  -3.622  -1.262
  156   2HB   SER  16          1HB       SER  16   9.541  -2.336  -2.458
  157    HG   SER  16           HG       SER  16  10.847  -4.449  -2.829
  158    H    ALA  17           H        ALA  17   9.645   0.161  -1.348
  159    HA   ALA  17           HA       ALA  17  11.403   1.310  -3.372
  160   1HB   ALA  17          1HB       ALA  17   9.738   3.182  -3.191
  161   2HB   ALA  17          2HB       ALA  17   9.010   2.346  -1.818
  162   3HB   ALA  17          3HB       ALA  17   8.978   1.607  -3.419
  163    H    LYS  18           H        LYS  18  11.502   1.199   0.000
  164    HA   LYS  18           HA       LYS  18  12.484   3.864   0.566
  165   1HB   LYS  18          2HB       LYS  18  11.519   1.931   2.079
  166   2HB   LYS  18          1HB       LYS  18  13.204   1.412   2.147
  167   1HG   LYS  18          2HG       LYS  18  13.621   3.979   2.680
  168   2HG   LYS  18          1HG       LYS  18  11.945   3.903   3.225
  169   1HD   LYS  18          2HD       LYS  18  12.437   2.194   4.819
  170   2HD   LYS  18          1HD       LYS  18  14.032   1.906   4.119
  171   1HE   LYS  18          2HE       LYS  18  13.946   4.667   4.773
  172   2HE   LYS  18          1HE       LYS  18  13.308   3.789   6.177
  173   1HZ   LYS  18          1HZ       LYS  18  15.189   2.231   5.952
  174   2HZ   LYS  18          2HZ       LYS  18  15.693   3.815   6.306
  175   3HZ   LYS  18          3HZ       LYS  18  15.835   3.210   4.726
  176    H    LYS  19           H        LYS  19  13.827   1.019  -0.786
  177    HA   LYS  19           HA       LYS  19  16.621   1.532  -0.187
  178   1HB   LYS  19          2HB       LYS  19  16.074  -0.698  -0.689
  179   2HB   LYS  19          1HB       LYS  19  14.993  -0.232  -2.003
  180   1HG   LYS  19          2HG       LYS  19  17.000  -1.190  -2.973
  181   2HG   LYS  19          1HG       LYS  19  17.000   0.541  -3.300
  182   1HD   LYS  19          2HD       LYS  19  18.329   0.636  -1.006
  183   2HD   LYS  19          1HD       LYS  19  18.718  -1.034  -1.421
  184   1HE   LYS  19          2HE       LYS  19  19.020   1.050  -3.557
  185   2HE   LYS  19          1HE       LYS  19  20.262   0.944  -2.292
  186   1HZ   LYS  19          1HZ       LYS  19  20.316  -0.617  -4.407
  187   2HZ   LYS  19          2HZ       LYS  19  19.278  -1.556  -3.444
  188   3HZ   LYS  19          3HZ       LYS  19  20.833  -1.159  -2.885
  189    H    PHE  20           H        PHE  20  14.382   3.017  -2.222
  190    HA   PHE  20           HA       PHE  20  16.562   4.130  -3.955
  191   1HB   PHE  20          2HB       PHE  20  13.654   3.501  -4.563
  192   2HB   PHE  20          1HB       PHE  20  14.783   4.237  -5.700
  193    HD1  PHE  20           HD1      PHE  20  13.806   1.155  -3.977
  194    HD2  PHE  20           HD2      PHE  20  16.702   2.958  -6.586
  195    HE1  PHE  20           HE1      PHE  20  14.646  -1.094  -4.598
  196    HE2  PHE  20           HE2      PHE  20  17.541   0.709  -7.207
  197    HZ   PHE  20           HZ       PHE  20  16.514  -1.316  -6.213
  198   1HN   NH2  21          1HN       NH2  21  16.277   6.445  -4.500
  199   2HN   NH2  21          2HN       NH2  21  15.271   7.447  -3.571
  Start of MODEL   18
    1   1H    LYS   1          1H        LYS   1 -12.531 -10.962   3.198
    2   2H    LYS   1          2H        LYS   1 -12.762 -11.493   1.601
    3   3H    LYS   1          3H        LYS   1 -12.500  -9.845   1.923
    4    HA   LYS   1           HA       LYS   1 -10.246 -10.159   2.427
    5   1HB   LYS   1          2HB       LYS   1 -11.200 -12.304   3.733
    6   2HB   LYS   1          1HB       LYS   1 -10.514 -13.132   2.335
    7   1HG   LYS   1          2HG       LYS   1  -8.340 -12.154   2.743
    8   2HG   LYS   1          1HG       LYS   1  -8.992 -11.133   4.026
    9   1HD   LYS   1          2HD       LYS   1  -9.498 -14.035   4.330
   10   2HD   LYS   1          1HD       LYS   1  -7.812 -13.539   4.481
   11   1HE   LYS   1          2HE       LYS   1  -8.510 -11.815   6.163
   12   2HE   LYS   1          1HE       LYS   1 -10.162 -12.460   6.076
   13   1HZ   LYS   1          1HZ       LYS   1  -7.923 -14.322   6.450
   14   2HZ   LYS   1          2HZ       LYS   1  -9.539 -14.462   6.961
   15   3HZ   LYS   1          3HZ       LYS   1  -8.468 -13.435   7.789
   16    H    TRP   2           H        TRP   2  -9.137 -12.724   1.104
   17    HA   TRP   2           HA       TRP   2  -8.602 -13.479  -1.081
   18   1HB   TRP   2          2HB       TRP   2 -11.289 -12.799  -1.095
   19   2HB   TRP   2          1HB       TRP   2 -10.632 -11.864  -2.439
   20    HD1  TRP   2           HD1      TRP   2 -12.499 -14.554  -2.648
   21    HE1  TRP   2           HE1      TRP   2 -11.617 -16.487  -4.109
   22    HE3  TRP   2           HE3      TRP   2  -7.538 -13.376  -2.768
   23    HZ2  TRP   2           HZ2      TRP   2  -9.132 -17.412  -5.188
   24    HZ3  TRP   2           HZ3      TRP   2  -5.932 -14.795  -4.014
   25    HH2  TRP   2           HH2      TRP   2  -6.722 -16.813  -5.223
   26    H    LYS   3           H        LYS   3  -8.844 -12.001  -3.471
   27    HA   LYS   3           HA       LYS   3  -6.524 -10.590  -3.746
   28   1HB   LYS   3          2HB       LYS   3  -7.558  -9.592  -5.688
   29   2HB   LYS   3          1HB       LYS   3  -8.273 -11.187  -5.463
   30   1HG   LYS   3          2HG       LYS   3 -10.305 -10.232  -5.366
   31   2HG   LYS   3          1HG       LYS   3  -9.809  -9.385  -3.903
   32   1HD   LYS   3          2HD       LYS   3  -9.226  -7.449  -5.055
   33   2HD   LYS   3          1HD       LYS   3  -8.960  -8.310  -6.572
   34   1HE   LYS   3          2HE       LYS   3 -11.518  -8.817  -6.475
   35   2HE   LYS   3          1HE       LYS   3 -11.572  -7.471  -5.319
   36   1HZ   LYS   3          1HZ       LYS   3 -11.818  -6.739  -7.653
   37   2HZ   LYS   3          2HZ       LYS   3 -10.266  -7.345  -7.986
   38   3HZ   LYS   3          3HZ       LYS   3 -10.464  -6.060  -6.892
   39    H    LEU   4           H        LEU   4  -9.350  -9.425  -2.093
   40    HA   LEU   4           HA       LEU   4  -9.187  -6.686  -2.071
   41   1HB   LEU   4          2HB       LEU   4 -10.763  -7.249  -0.541
   42   2HB   LEU   4          1HB       LEU   4 -10.027  -8.827  -0.314
   43    HG   LEU   4           HG       LEU   4  -8.782  -6.411   0.966
   44   1HD1  LEU   4          1HD1      LEU   4 -10.548  -7.915   2.729
   45   2HD1  LEU   4          2HD1      LEU   4 -11.439  -7.130   1.425
   46   3HD1  LEU   4          3HD1      LEU   4 -10.419  -6.171   2.498
   47   1HD2  LEU   4          1HD2      LEU   4  -8.775  -8.719   2.602
   48   2HD2  LEU   4          2HD2      LEU   4  -7.414  -8.045   1.702
   49   3HD2  LEU   4          3HD2      LEU   4  -8.435  -9.281   0.964
   50    H    PHE   5           H        PHE   5  -7.028  -8.897  -0.431
   51    HA   PHE   5           HA       PHE   5  -5.503  -7.245   1.190
   52   1HB   PHE   5          2HB       PHE   5  -5.256  -9.759  -0.255
   53   2HB   PHE   5          1HB       PHE   5  -3.700  -8.959  -0.062
   54    HD1  PHE   5           HD1      PHE   5  -5.421 -11.445   1.356
   55    HD2  PHE   5           HD2      PHE   5  -3.898  -7.591   2.490
   56    HE1  PHE   5           HE1      PHE   5  -5.349 -12.171   3.728
   57    HE2  PHE   5           HE2      PHE   5  -3.825  -8.319   4.861
   58    HZ   PHE   5           HZ       PHE   5  -4.550 -10.608   5.481
   59    H    LYS   6           H        LYS   6  -5.652  -7.255  -2.250
   60    HA   LYS   6           HA       LYS   6  -3.174  -6.151  -3.014
   61   1HB   LYS   6          2HB       LYS   6  -4.344  -5.543  -5.024
   62   2HB   LYS   6          1HB       LYS   6  -5.112  -7.010  -4.423
   63   1HG   LYS   6          2HG       LYS   6  -7.066  -5.882  -4.495
   64   2HG   LYS   6          1HG       LYS   6  -6.474  -4.953  -3.118
   65   1HD   LYS   6          2HD       LYS   6  -7.145  -3.407  -4.876
   66   2HD   LYS   6          1HD       LYS   6  -5.389  -3.363  -4.719
   67   1HE   LYS   6          2HE       LYS   6  -5.207  -4.978  -6.622
   68   2HE   LYS   6          1HE       LYS   6  -6.969  -4.887  -6.821
   69   1HZ   LYS   6          1HZ       LYS   6  -5.195  -3.166  -7.936
   70   2HZ   LYS   6          2HZ       LYS   6  -5.696  -2.316  -6.551
   71   3HZ   LYS   6          3HZ       LYS   6  -6.842  -2.843  -7.690
   72    H    LYS   7           H        LYS   7  -5.594  -4.708  -1.076
   73    HA   LYS   7           HA       LYS   7  -4.253  -2.049  -1.412
   74   1HB   LYS   7          2HB       LYS   7  -7.127  -2.868  -1.533
   75   2HB   LYS   7          1HB       LYS   7  -6.750  -1.302  -0.815
   76   1HG   LYS   7          2HG       LYS   7  -5.255  -1.759  -3.278
   77   2HG   LYS   7          1HG       LYS   7  -6.999  -1.831  -3.539
   78   1HD   LYS   7          2HD       LYS   7  -6.302   0.360  -1.763
   79   2HD   LYS   7          1HD       LYS   7  -5.442   0.488  -3.299
   80   1HE   LYS   7          2HE       LYS   7  -7.674   1.616  -3.383
   81   2HE   LYS   7          1HE       LYS   7  -7.582   0.261  -4.526
   82   1HZ   LYS   7          1HZ       LYS   7  -9.238  -0.721  -3.444
   83   2HZ   LYS   7          2HZ       LYS   7  -9.325   0.566  -2.340
   84   3HZ   LYS   7          3HZ       LYS   7  -8.312  -0.760  -2.023
   85    H    ILE   8           H        ILE   8  -4.827  -4.558   0.652
   86    HA   ILE   8           HA       ILE   8  -5.515  -3.073   3.087
   87    HB   ILE   8           HB       ILE   8  -4.854  -5.875   2.247
   88   1HG1  ILE   8          2HG1      ILE   8  -7.176  -4.852   2.259
   89   2HG1  ILE   8          1HG1      ILE   8  -7.015  -6.341   3.190
   90   1HG2  ILE   8          1HG2      ILE   8  -3.521  -5.807   4.214
   91   2HG2  ILE   8          2HG2      ILE   8  -5.057  -6.503   4.727
   92   3HG2  ILE   8          3HG2      ILE   8  -4.697  -4.811   5.071
   93   1HD1  ILE   8          1HD1      ILE   8  -7.635  -5.279   5.075
   94   2HD1  ILE   8          2HD1      ILE   8  -7.924  -3.824   4.121
   95   3HD1  ILE   8          3HD1      ILE   8  -6.347  -4.093   4.862
   96    H    GLY   9           H        GLY   9  -2.594  -4.608   1.724
   97   1HA   GLY   9          2HA       GLY   9  -0.992  -3.179   3.805
   98   2HA   GLY   9          1HA       GLY   9  -0.498  -4.701   3.063
   99    H    ILE  10           H        ILE  10  -0.843  -1.251   2.538
  100    HA   ILE  10           HA       ILE  10   0.718  -1.507   0.018
  101    HB   ILE  10           HB       ILE  10  -0.232   0.933  -0.148
  102   1HG1  ILE  10          2HG1      ILE  10  -2.281  -0.353   1.673
  103   2HG1  ILE  10          1HG1      ILE  10  -1.126   0.869   2.206
  104   1HG2  ILE  10          1HG2      ILE  10  -1.630   0.038  -1.690
  105   2HG2  ILE  10          2HG2      ILE  10  -2.465  -0.941  -0.485
  106   3HG2  ILE  10          3HG2      ILE  10  -0.948  -1.506  -1.184
  107   1HD1  ILE  10          1HD1      ILE  10  -3.378   1.802   1.581
  108   2HD1  ILE  10          2HD1      ILE  10  -3.077   1.279  -0.076
  109   3HD1  ILE  10          3HD1      ILE  10  -2.041   2.499   0.666
  110    H    GLY  11           H        GLY  11   0.417   0.211   3.053
  111   1HA   GLY  11          2HA       GLY  11   2.424   2.120   2.863
  112   2HA   GLY  11          1HA       GLY  11   2.077   1.264   4.358
  113    H    LYS  12           H        LYS  12   2.785  -1.292   3.600
  114    HA   LYS  12           HA       LYS  12   5.686  -1.166   3.838
  115   1HB   LYS  12          2HB       LYS  12   5.481  -3.555   4.120
  116   2HB   LYS  12          1HB       LYS  12   4.100  -2.815   4.927
  117   1HG   LYS  12          2HG       LYS  12   2.594  -3.614   3.386
  118   2HG   LYS  12          1HG       LYS  12   3.744  -3.527   2.055
  119   1HD   LYS  12          2HD       LYS  12   3.763  -5.798   2.301
  120   2HD   LYS  12          1HD       LYS  12   4.943  -5.426   3.559
  121   1HE   LYS  12          2HE       LYS  12   3.566  -6.358   5.092
  122   2HE   LYS  12          1HE       LYS  12   2.331  -5.143   4.700
  123   1HZ   LYS  12          1HZ       LYS  12   1.410  -6.470   3.067
  124   2HZ   LYS  12          2HZ       LYS  12   1.815  -7.619   4.249
  125   3HZ   LYS  12          3HZ       LYS  12   2.805  -7.416   2.885
  126    H    PHE  13           H        PHE  13   3.560  -1.104   1.229
  127    HA   PHE  13           HA       PHE  13   5.084  -2.596  -0.724
  128   1HB   PHE  13          2HB       PHE  13   2.583  -1.537  -0.532
  129   2HB   PHE  13          1HB       PHE  13   3.365  -0.330  -1.552
  130    HD1  PHE  13           HD1      PHE  13   3.070  -4.043  -1.195
  131    HD2  PHE  13           HD2      PHE  13   3.458  -0.695  -3.856
  132    HE1  PHE  13           HE1      PHE  13   2.884  -5.571  -3.141
  133    HE2  PHE  13           HE2      PHE  13   3.271  -2.223  -5.804
  134    HZ   PHE  13           HZ       PHE  13   2.986  -4.660  -5.445
  135    H    LEU  14           H        LEU  14   4.843   0.772   0.228
  136    HA   LEU  14           HA       LEU  14   6.817   1.677  -1.726
  137   1HB   LEU  14          2HB       LEU  14   4.773   2.808  -0.247
  138   2HB   LEU  14          1HB       LEU  14   6.213   3.392   0.588
  139    HG   LEU  14           HG       LEU  14   7.095   4.353  -1.434
  140   1HD1  LEU  14          1HD1      LEU  14   6.688   3.215  -3.340
  141   2HD1  LEU  14          2HD1      LEU  14   5.132   4.041  -3.388
  142   3HD1  LEU  14          3HD1      LEU  14   5.259   2.443  -2.655
  143   1HD2  LEU  14          1HD2      LEU  14   5.458   6.043  -1.883
  144   2HD2  LEU  14          2HD2      LEU  14   5.189   5.545  -0.213
  145   3HD2  LEU  14          3HD2      LEU  14   4.126   4.953  -1.490
  146    H    HIS  15           H        HIS  15   6.882   0.290   1.390
  147    HA   HIS  15           HA       HIS  15   9.256   1.443   2.476
  148   1HB   HIS  15          2HB       HIS  15   7.759  -1.152   2.724
  149   2HB   HIS  15          1HB       HIS  15   9.327  -0.990   3.516
  150    HD1  HIS  15           HD1      HIS  15   7.585   2.205   3.317
  151    HD2  HIS  15           HD2      HIS  15   7.616  -1.014   5.967
  152    HE1  HIS  15           HE1      HIS  15   6.541   3.037   5.468
  153    H    SER  16           H        SER  16   8.680  -0.674  -0.154
  154    HA   SER  16           HA       SER  16  11.349  -1.836  -0.321
  155   1HB   SER  16          2HB       SER  16   9.428  -3.010  -1.226
  156   2HB   SER  16          1HB       SER  16   8.969  -1.606  -2.184
  157    HG   SER  16           HG       SER  16  10.076  -3.105  -3.464
  158    H    ALA  17           H        ALA  17   9.651   0.935  -1.554
  159    HA   ALA  17           HA       ALA  17  11.527   1.723  -3.586
  160   1HB   ALA  17          1HB       ALA  17   9.611   3.357  -1.886
  161   2HB   ALA  17          2HB       ALA  17   9.164   2.494  -3.358
  162   3HB   ALA  17          3HB       ALA  17  10.286   3.852  -3.439
  163    H    LYS  18           H        LYS  18  11.570   1.828  -0.160
  164    HA   LYS  18           HA       LYS  18  13.488   4.029   0.069
  165   1HB   LYS  18          2HB       LYS  18  13.082   3.805   2.335
  166   2HB   LYS  18          1HB       LYS  18  11.636   3.013   1.714
  167   1HG   LYS  18          2HG       LYS  18  13.102   0.844   1.771
  168   2HG   LYS  18          1HG       LYS  18  14.118   1.765   2.879
  169   1HD   LYS  18          2HD       LYS  18  12.370   2.016   4.456
  170   2HD   LYS  18          1HD       LYS  18  11.134   1.558   3.285
  171   1HE   LYS  18          2HE       LYS  18  11.430  -0.384   4.653
  172   2HE   LYS  18          1HE       LYS  18  12.365  -0.730   3.184
  173   1HZ   LYS  18          1HZ       LYS  18  13.613   0.726   5.418
  174   2HZ   LYS  18          2HZ       LYS  18  14.349  -0.209   4.205
  175   3HZ   LYS  18          3HZ       LYS  18  13.513  -0.966   5.475
  176    H    LYS  19           H        LYS  19  13.559   0.608  -0.345
  177    HA   LYS  19           HA       LYS  19  16.267   0.131   0.562
  178   1HB   LYS  19          2HB       LYS  19  14.489  -1.344  -1.405
  179   2HB   LYS  19          1HB       LYS  19  15.901  -2.021  -0.591
  180   1HG   LYS  19          2HG       LYS  19  14.238  -0.862   1.404
  181   2HG   LYS  19          1HG       LYS  19  13.210  -1.851   0.366
  182   1HD   LYS  19          2HD       LYS  19  15.349  -3.502   0.628
  183   2HD   LYS  19          1HD       LYS  19  15.403  -2.673   2.185
  184   1HE   LYS  19          2HE       LYS  19  13.535  -3.739   2.929
  185   2HE   LYS  19          1HE       LYS  19  12.688  -3.501   1.388
  186   1HZ   LYS  19          1HZ       LYS  19  13.672  -5.860   2.181
  187   2HZ   LYS  19          2HZ       LYS  19  14.987  -5.265   1.287
  188   3HZ   LYS  19          3HZ       LYS  19  13.461  -5.428   0.555
  189    H    PHE  20           H        PHE  20  14.895   1.623  -2.156
  190    HA   PHE  20           HA       PHE  20  17.439   1.320  -3.718
  191   1HB   PHE  20          2HB       PHE  20  14.661   2.098  -4.659
  192   2HB   PHE  20          1HB       PHE  20  16.039   1.675  -5.673
  193    HD1  PHE  20           HD1      PHE  20  13.176   0.352  -5.419
  194    HD2  PHE  20           HD2      PHE  20  17.063  -0.603  -3.863
  195    HE1  PHE  20           HE1      PHE  20  12.538  -2.040  -5.303
  196    HE2  PHE  20           HE2      PHE  20  16.426  -2.996  -3.746
  197    HZ   PHE  20           HZ       PHE  20  14.164  -3.715  -4.463
  198   1HN   NH2  21          1HN       NH2  21  18.041   3.201  -2.024
  199   2HN   NH2  21          2HN       NH2  21  17.690   4.781  -2.539
  Start of MODEL   19
    1   1H    LYS   1          1H        LYS   1 -11.957  -6.907  -9.943
    2   2H    LYS   1          2H        LYS   1 -12.184  -7.514 -11.515
    3   3H    LYS   1          3H        LYS   1 -10.613  -7.271 -10.913
    4    HA   LYS   1           HA       LYS   1 -12.566  -9.364 -10.145
    5   1HB   LYS   1          2HB       LYS   1  -9.754  -9.167 -11.246
    6   2HB   LYS   1          1HB       LYS   1 -10.422 -10.683 -10.638
    7   1HG   LYS   1          2HG       LYS   1 -11.188 -10.948 -12.763
    8   2HG   LYS   1          1HG       LYS   1 -12.446  -9.813 -12.270
    9   1HD   LYS   1          2HD       LYS   1 -11.695  -8.309 -13.763
   10   2HD   LYS   1          1HD       LYS   1 -10.112  -8.315 -12.986
   11   1HE   LYS   1          2HE       LYS   1  -9.679 -10.504 -14.305
   12   2HE   LYS   1          1HE       LYS   1 -11.071 -10.016 -15.292
   13   1HZ   LYS   1          1HZ       LYS   1  -8.495  -8.646 -14.915
   14   2HZ   LYS   1          2HZ       LYS   1  -9.882  -7.722 -15.244
   15   3HZ   LYS   1          3HZ       LYS   1  -9.368  -8.911 -16.345
   16    H    TRP   2           H        TRP   2  -9.207  -8.400  -9.340
   17    HA   TRP   2           HA       TRP   2  -9.893  -8.703  -6.443
   18   1HB   TRP   2          2HB       TRP   2  -7.683  -9.893  -6.251
   19   2HB   TRP   2          1HB       TRP   2  -8.862 -10.759  -7.236
   20    HD1  TRP   2           HD1      TRP   2  -8.510 -10.754  -9.882
   21    HE1  TRP   2           HE1      TRP   2  -6.422 -10.330 -11.333
   22    HE3  TRP   2           HE3      TRP   2  -5.467  -8.566  -6.420
   23    HZ2  TRP   2           HZ2      TRP   2  -3.800  -9.215 -11.057
   24    HZ3  TRP   2           HZ3      TRP   2  -3.181  -7.836  -7.035
   25    HH2  TRP   2           HH2      TRP   2  -2.343  -8.157  -9.347
   26    H    LYS   3           H        LYS   3  -9.658  -6.315  -7.946
   27    HA   LYS   3           HA       LYS   3  -7.021  -5.131  -7.632
   28   1HB   LYS   3          2HB       LYS   3  -8.132  -3.156  -8.454
   29   2HB   LYS   3          1HB       LYS   3  -8.849  -4.529  -9.297
   30   1HG   LYS   3          2HG       LYS   3 -10.359  -4.285  -6.955
   31   2HG   LYS   3          1HG       LYS   3 -10.106  -2.625  -7.492
   32   1HD   LYS   3          2HD       LYS   3 -10.701  -4.312  -9.759
   33   2HD   LYS   3          1HD       LYS   3 -11.957  -4.485  -8.531
   34   1HE   LYS   3          2HE       LYS   3 -12.819  -2.501  -9.198
   35   2HE   LYS   3          1HE       LYS   3 -11.316  -1.708  -8.690
   36   1HZ   LYS   3          1HZ       LYS   3 -11.795  -3.047 -11.300
   37   2HZ   LYS   3          2HZ       LYS   3 -10.315  -2.375 -10.806
   38   3HZ   LYS   3          3HZ       LYS   3 -11.667  -1.374 -11.051
   39    H    LEU   4           H        LEU   4  -9.286  -6.009  -5.361
   40    HA   LEU   4           HA       LEU   4  -9.360  -3.700  -3.640
   41   1HB   LEU   4          2HB       LEU   4 -10.272  -5.283  -2.040
   42   2HB   LEU   4          1HB       LEU   4 -10.885  -5.717  -3.634
   43    HG   LEU   4           HG       LEU   4  -8.318  -6.989  -2.834
   44   1HD1  LEU   4          1HD1      LEU   4  -9.352  -8.608  -1.384
   45   2HD1  LEU   4          2HD1      LEU   4 -10.955  -7.938  -1.684
   46   3HD1  LEU   4          3HD1      LEU   4  -9.773  -7.015  -0.755
   47   1HD2  LEU   4          1HD2      LEU   4  -9.073  -7.844  -4.843
   48   2HD2  LEU   4          2HD2      LEU   4 -10.770  -7.585  -4.434
   49   3HD2  LEU   4          3HD2      LEU   4  -9.896  -8.954  -3.747
   50    H    PHE   5           H        PHE   5  -6.860  -5.830  -4.456
   51    HA   PHE   5           HA       PHE   5  -5.414  -5.683  -1.902
   52   1HB   PHE   5          2HB       PHE   5  -5.275  -7.028  -4.512
   53   2HB   PHE   5          1HB       PHE   5  -3.698  -6.611  -3.845
   54    HD1  PHE   5           HD1      PHE   5  -3.517  -7.094  -1.185
   55    HD2  PHE   5           HD2      PHE   5  -6.176  -9.082  -3.913
   56    HE1  PHE   5           HE1      PHE   5  -3.693  -9.009   0.381
   57    HE2  PHE   5           HE2      PHE   5  -6.350 -10.996  -2.346
   58    HZ   PHE   5           HZ       PHE   5  -5.109 -10.959  -0.201
   59    H    LYS   6           H        LYS   6  -5.575  -3.965  -4.882
   60    HA   LYS   6           HA       LYS   6  -3.071  -2.722  -5.103
   61   1HB   LYS   6          2HB       LYS   6  -5.904  -2.060  -5.778
   62   2HB   LYS   6          1HB       LYS   6  -4.695  -0.791  -5.973
   63   1HG   LYS   6          2HG       LYS   6  -3.907  -3.435  -7.032
   64   2HG   LYS   6          1HG       LYS   6  -5.249  -2.662  -7.877
   65   1HD   LYS   6          2HD       LYS   6  -3.836  -1.234  -8.886
   66   2HD   LYS   6          1HD       LYS   6  -3.227  -0.693  -7.320
   67   1HE   LYS   6          2HE       LYS   6  -1.395  -2.087  -7.402
   68   2HE   LYS   6          1HE       LYS   6  -2.270  -3.351  -8.290
   69   1HZ   LYS   6          1HZ       LYS   6  -0.574  -1.910  -9.566
   70   2HZ   LYS   6          2HZ       LYS   6  -1.783  -0.717  -9.525
   71   3HZ   LYS   6          3HZ       LYS   6  -2.083  -2.210 -10.279
   72    H    LYS   7           H        LYS   7  -5.445  -2.277  -2.654
   73    HA   LYS   7           HA       LYS   7  -4.184   0.276  -1.770
   74   1HB   LYS   7          2HB       LYS   7  -6.756  -0.263  -2.138
   75   2HB   LYS   7          1HB       LYS   7  -6.616  -0.950  -0.521
   76   1HG   LYS   7          2HG       LYS   7  -7.139   1.235   0.029
   77   2HG   LYS   7          1HG       LYS   7  -5.381   1.360  -0.032
   78   1HD   LYS   7          2HD       LYS   7  -5.394   2.460  -2.083
   79   2HD   LYS   7          1HD       LYS   7  -6.958   1.788  -2.546
   80   1HE   LYS   7          2HE       LYS   7  -7.228   4.169  -2.006
   81   2HE   LYS   7          1HE       LYS   7  -8.026   3.202  -0.750
   82   1HZ   LYS   7          1HZ       LYS   7  -6.217   3.443   0.688
   83   2HZ   LYS   7          2HZ       LYS   7  -6.420   4.997   0.031
   84   3HZ   LYS   7          3HZ       LYS   7  -5.180   3.985  -0.539
   85    H    ILE   8           H        ILE   8  -4.670  -3.047  -0.923
   86    HA   ILE   8           HA       ILE   8  -3.686  -2.730   1.837
   87    HB   ILE   8           HB       ILE   8  -4.185  -5.236   0.201
   88   1HG1  ILE   8          2HG1      ILE   8  -6.211  -3.955   0.066
   89   2HG1  ILE   8          1HG1      ILE   8  -6.463  -5.137   1.350
   90   1HG2  ILE   8          1HG2      ILE   8  -4.068  -6.381   2.186
   91   2HG2  ILE   8          2HG2      ILE   8  -4.736  -5.040   3.116
   92   3HG2  ILE   8          3HG2      ILE   8  -3.039  -5.023   2.639
   93   1HD1  ILE   8          1HD1      ILE   8  -7.129  -3.282   2.517
   94   2HD1  ILE   8          2HD1      ILE   8  -6.168  -2.186   1.526
   95   3HD1  ILE   8          3HD1      ILE   8  -5.396  -3.125   2.803
   96    H    GLY   9           H        GLY   9  -2.355  -3.286  -1.308
   97   1HA   GLY   9          2HA       GLY   9   0.202  -4.220  -0.071
   98   2HA   GLY   9          1HA       GLY   9  -0.275  -4.586  -1.728
   99    H    ILE  10           H        ILE  10   0.096  -1.652   0.297
  100    HA   ILE  10           HA       ILE  10   1.893  -0.509  -1.753
  101    HB   ILE  10           HB       ILE  10  -0.562  -0.035  -2.231
  102   1HG1  ILE  10          2HG1      ILE  10  -0.146   2.369  -2.717
  103   2HG1  ILE  10          1HG1      ILE  10   1.297   2.298  -1.709
  104   1HG2  ILE  10          1HG2      ILE  10  -1.630   1.687  -0.874
  105   2HG2  ILE  10          2HG2      ILE  10  -0.226   1.727   0.191
  106   3HG2  ILE  10          3HG2      ILE  10  -1.233   0.281   0.112
  107   1HD1  ILE  10          1HD1      ILE  10   0.809   0.624  -4.190
  108   2HD1  ILE  10          2HD1      ILE  10   2.261   0.584  -3.191
  109   3HD1  ILE  10          3HD1      ILE  10   1.861   2.038  -4.103
  110    H    GLY  11           H        GLY  11   0.181  -0.038   1.252
  111   1HA   GLY  11          2HA       GLY  11   1.691   2.015   2.431
  112   2HA   GLY  11          1HA       GLY  11   0.953   0.717   3.358
  113    H    LYS  12           H        LYS  12   2.167  -1.342   3.349
  114    HA   LYS  12           HA       LYS  12   4.892  -0.973   4.197
  115   1HB   LYS  12          2HB       LYS  12   3.497  -2.734   5.093
  116   2HB   LYS  12          1HB       LYS  12   3.170  -3.366   3.481
  117   1HG   LYS  12          2HG       LYS  12   5.837  -3.577   3.436
  118   2HG   LYS  12          1HG       LYS  12   5.606  -3.669   5.181
  119   1HD   LYS  12          2HD       LYS  12   5.456  -5.917   4.472
  120   2HD   LYS  12          1HD       LYS  12   3.773  -5.413   4.641
  121   1HE   LYS  12          2HE       LYS  12   3.379  -5.585   2.398
  122   2HE   LYS  12          1HE       LYS  12   4.948  -4.869   1.979
  123   1HZ   LYS  12          1HZ       LYS  12   5.028  -7.453   3.310
  124   2HZ   LYS  12          2HZ       LYS  12   5.985  -6.856   2.040
  125   3HZ   LYS  12          3HZ       LYS  12   4.433  -7.468   1.722
  126    H    PHE  13           H        PHE  13   3.465  -1.210   1.132
  127    HA   PHE  13           HA       PHE  13   5.523  -2.592  -0.332
  128   1HB   PHE  13          2HB       PHE  13   2.990  -1.664  -0.736
  129   2HB   PHE  13          1HB       PHE  13   3.932  -0.499  -1.661
  130    HD1  PHE  13           HD1      PHE  13   5.446  -1.274  -3.472
  131    HD2  PHE  13           HD2      PHE  13   2.761  -3.937  -1.441
  132    HE1  PHE  13           HE1      PHE  13   5.738  -2.945  -5.286
  133    HE2  PHE  13           HE2      PHE  13   3.051  -5.612  -3.252
  134    HZ   PHE  13           HZ       PHE  13   4.538  -5.114  -5.175
  135    H    LEU  14           H        LEU  14   4.952   0.749   0.535
  136    HA   LEU  14           HA       LEU  14   6.974   1.914  -1.136
  137   1HB   LEU  14          2HB       LEU  14   5.003   2.730   0.698
  138   2HB   LEU  14          1HB       LEU  14   6.527   3.325   1.360
  139    HG   LEU  14           HG       LEU  14   7.035   4.533  -0.642
  140   1HD1  LEU  14          1HD1      LEU  14   5.358   2.525  -1.843
  141   2HD1  LEU  14          2HD1      LEU  14   6.443   3.670  -2.634
  142   3HD1  LEU  14          3HD1      LEU  14   4.770   4.123  -2.307
  143   1HD2  LEU  14          1HD2      LEU  14   5.212   6.091  -0.758
  144   2HD2  LEU  14          2HD2      LEU  14   5.221   5.462   0.889
  145   3HD2  LEU  14          3HD2      LEU  14   4.045   4.859  -0.278
  146    H    HIS  15           H        HIS  15   7.083   0.278   1.916
  147    HA   HIS  15           HA       HIS  15   9.547   1.194   2.959
  148   1HB   HIS  15          2HB       HIS  15   8.169  -1.503   2.933
  149   2HB   HIS  15          1HB       HIS  15   9.614  -1.190   3.895
  150    HD1  HIS  15           HD1      HIS  15   8.367   1.931   4.213
  151    HD2  HIS  15           HD2      HIS  15   6.833  -1.702   5.566
  152    HE1  HIS  15           HE1      HIS  15   6.786   2.484   6.111
  153    H    SER  16           H        SER  16   8.796  -0.680   0.183
  154    HA   SER  16           HA       SER  16  11.466  -1.793  -0.221
  155   1HB   SER  16          2HB       SER  16   9.479  -2.940  -1.046
  156   2HB   SER  16          1HB       SER  16   8.985  -1.506  -1.942
  157    HG   SER  16           HG       SER  16  10.021  -2.682  -3.431
  158    H    ALA  17           H        ALA  17   9.635   1.014  -1.216
  159    HA   ALA  17           HA       ALA  17  11.316   1.960  -3.315
  160   1HB   ALA  17          1HB       ALA  17  10.006   3.876  -3.125
  161   2HB   ALA  17          2HB       ALA  17  10.040   3.837  -1.362
  162   3HB   ALA  17          3HB       ALA  17   8.990   2.731  -2.247
  163    H    LYS  18           H        LYS  18  11.784   1.710   0.069
  164    HA   LYS  18           HA       LYS  18  13.746   3.798   0.437
  165   1HB   LYS  18          2HB       LYS  18  12.273   2.116   2.007
  166   2HB   LYS  18          1HB       LYS  18  13.849   1.326   2.074
  167   1HG   LYS  18          2HG       LYS  18  14.108   2.823   3.808
  168   2HG   LYS  18          1HG       LYS  18  14.669   3.834   2.475
  169   1HD   LYS  18          2HD       LYS  18  12.314   4.687   2.227
  170   2HD   LYS  18          1HD       LYS  18  11.897   3.808   3.698
  171   1HE   LYS  18          2HE       LYS  18  13.186   5.207   5.061
  172   2HE   LYS  18          1HE       LYS  18  14.240   5.700   3.720
  173   1HZ   LYS  18          1HZ       LYS  18  12.635   7.069   2.833
  174   2HZ   LYS  18          2HZ       LYS  18  12.359   7.287   4.495
  175   3HZ   LYS  18          3HZ       LYS  18  11.353   6.258   3.592
  176    H    LYS  19           H        LYS  19  13.747   0.671  -0.954
  177    HA   LYS  19           HA       LYS  19  16.646   0.233  -0.746
  178   1HB   LYS  19          2HB       LYS  19  14.631  -1.230  -2.467
  179   2HB   LYS  19          1HB       LYS  19  16.106  -1.869  -1.742
  180   1HG   LYS  19          2HG       LYS  19  14.947  -1.202   0.522
  181   2HG   LYS  19          1HG       LYS  19  13.470  -1.262  -0.440
  182   1HD   LYS  19          2HD       LYS  19  15.337  -3.549  -0.768
  183   2HD   LYS  19          1HD       LYS  19  14.508  -3.438   0.786
  184   1HE   LYS  19          2HE       LYS  19  12.676  -2.913  -1.426
  185   2HE   LYS  19          1HE       LYS  19  13.431  -4.514  -1.562
  186   1HZ   LYS  19          1HZ       LYS  19  12.663  -3.705   1.117
  187   2HZ   LYS  19          2HZ       LYS  19  12.519  -5.218   0.357
  188   3HZ   LYS  19          3HZ       LYS  19  11.372  -4.001   0.059
  189    H    PHE  20           H        PHE  20  14.624   2.101  -2.660
  190    HA   PHE  20           HA       PHE  20  16.646   2.174  -4.871
  191   1HB   PHE  20          2HB       PHE  20  13.615   2.284  -4.962
  192   2HB   PHE  20          1HB       PHE  20  14.650   2.608  -6.352
  193    HD1  PHE  20           HD1      PHE  20  16.394   0.782  -6.968
  194    HD2  PHE  20           HD2      PHE  20  12.981   0.083  -4.457
  195    HE1  PHE  20           HE1      PHE  20  16.570  -1.652  -7.410
  196    HE2  PHE  20           HE2      PHE  20  13.154  -2.352  -4.900
  197    HZ   PHE  20           HZ       PHE  20  14.949  -3.219  -6.375
  198   1HN   NH2  21          1HN       NH2  21  17.223   4.321  -5.510
  199   2HN   NH2  21          2HN       NH2  21  16.566   5.722  -4.813
  Start of MODEL   20
    1   1H    LYS   1          1H        LYS   1 -11.194 -12.511  -3.287
    2   2H    LYS   1          2H        LYS   1 -11.013 -10.829  -3.451
    3   3H    LYS   1          3H        LYS   1 -12.551 -11.538  -3.584
    4    HA   LYS   1           HA       LYS   1 -12.472 -10.576  -1.432
    5   1HB   LYS   1          2HB       LYS   1 -12.488 -13.435  -1.986
    6   2HB   LYS   1          1HB       LYS   1 -12.008 -13.111  -0.318
    7   1HG   LYS   1          2HG       LYS   1 -14.042 -12.167   0.231
    8   2HG   LYS   1          1HG       LYS   1 -14.331 -11.584  -1.408
    9   1HD   LYS   1          2HD       LYS   1 -15.457 -13.457  -1.973
   10   2HD   LYS   1          1HD       LYS   1 -14.203 -14.497  -1.297
   11   1HE   LYS   1          2HE       LYS   1 -15.318 -14.754   0.685
   12   2HE   LYS   1          1HE       LYS   1 -15.847 -13.059   0.711
   13   1HZ   LYS   1          1HZ       LYS   1 -17.205 -13.812  -1.364
   14   2HZ   LYS   1          2HZ       LYS   1 -17.805 -14.113   0.197
   15   3HZ   LYS   1          3HZ       LYS   1 -17.046 -15.355  -0.680
   16    H    TRP   2           H        TRP   2 -10.067  -9.629  -2.003
   17    HA   TRP   2           HA       TRP   2  -8.395 -10.433   0.310
   18   1HB   TRP   2          2HB       TRP   2  -6.513 -10.094  -1.682
   19   2HB   TRP   2          1HB       TRP   2  -7.090 -11.655  -1.105
   20    HD1  TRP   2           HD1      TRP   2  -9.228 -12.698  -2.467
   21    HE1  TRP   2           HE1      TRP   2  -9.776 -12.573  -4.986
   22    HE3  TRP   2           HE3      TRP   2  -6.356  -8.705  -3.778
   23    HZ2  TRP   2           HZ2      TRP   2  -9.083 -10.977  -7.259
   24    HZ3  TRP   2           HZ3      TRP   2  -6.314  -7.895  -6.124
   25    HH2  TRP   2           HH2      TRP   2  -7.674  -9.023  -7.864
   26    H    LYS   3           H        LYS   3 -10.006  -8.149  -0.294
   27    HA   LYS   3           HA       LYS   3  -8.400  -5.905  -1.161
   28   1HB   LYS   3          2HB       LYS   3 -10.769  -5.697  -1.265
   29   2HB   LYS   3          1HB       LYS   3 -10.970  -6.268   0.391
   30   1HG   LYS   3          2HG       LYS   3 -10.030  -4.240   1.288
   31   2HG   LYS   3          1HG       LYS   3  -9.532  -3.698  -0.313
   32   1HD   LYS   3          2HD       LYS   3 -11.965  -3.672  -0.976
   33   2HD   LYS   3          1HD       LYS   3 -12.368  -3.999   0.709
   34   1HE   LYS   3          2HE       LYS   3 -11.696  -1.889   1.424
   35   2HE   LYS   3          1HE       LYS   3 -10.523  -1.706   0.107
   36   1HZ   LYS   3          1HZ       LYS   3 -13.148  -0.799   0.152
   37   2HZ   LYS   3          2HZ       LYS   3 -13.115  -2.088  -0.955
   38   3HZ   LYS   3          3HZ       LYS   3 -12.070  -0.765  -1.156
   39    H    LEU   4           H        LEU   4  -8.272  -7.798   1.618
   40    HA   LEU   4           HA       LEU   4  -7.679  -5.790   3.606
   41   1HB   LEU   4          2HB       LEU   4  -7.499  -7.634   4.977
   42   2HB   LEU   4          1HB       LEU   4  -8.309  -8.410   3.625
   43    HG   LEU   4           HG       LEU   4  -5.295  -8.312   3.942
   44   1HD1  LEU   4          1HD1      LEU   4  -5.535  -9.908   5.510
   45   2HD1  LEU   4          2HD1      LEU   4  -6.246 -10.940   4.269
   46   3HD1  LEU   4          3HD1      LEU   4  -7.283  -9.936   5.282
   47   1HD2  LEU   4          1HD2      LEU   4  -7.158  -9.237   1.878
   48   2HD2  LEU   4          2HD2      LEU   4  -6.046 -10.502   2.402
   49   3HD2  LEU   4          3HD2      LEU   4  -5.418  -8.976   1.779
   50    H    PHE   5           H        PHE   5  -5.908  -7.182   1.033
   51    HA   PHE   5           HA       PHE   5  -3.256  -6.598   2.149
   52   1HB   PHE   5          2HB       PHE   5  -4.479  -8.033  -0.072
   53   2HB   PHE   5          1HB       PHE   5  -3.077  -7.100  -0.593
   54    HD1  PHE   5           HD1      PHE   5  -1.548  -8.937  -0.948
   55    HD2  PHE   5           HD2      PHE   5  -3.561  -8.466   2.817
   56    HE1  PHE   5           HE1      PHE   5  -0.046 -10.631   0.067
   57    HE2  PHE   5           HE2      PHE   5  -2.060 -10.159   3.831
   58    HZ   PHE   5           HZ       PHE   5  -0.303 -11.242   2.456
   59    H    LYS   6           H        LYS   6  -5.642  -5.042   0.219
   60    HA   LYS   6           HA       LYS   6  -4.303  -3.232  -1.385
   61   1HB   LYS   6          2HB       LYS   6  -6.843  -3.474  -0.082
   62   2HB   LYS   6          1HB       LYS   6  -6.317  -1.792   0.017
   63   1HG   LYS   6          2HG       LYS   6  -6.999  -1.539  -2.115
   64   2HG   LYS   6          1HG       LYS   6  -5.674  -2.602  -2.592
   65   1HD   LYS   6          2HD       LYS   6  -7.166  -4.568  -2.192
   66   2HD   LYS   6          1HD       LYS   6  -8.493  -3.451  -1.872
   67   1HE   LYS   6          2HE       LYS   6  -6.909  -3.294  -4.446
   68   2HE   LYS   6          1HE       LYS   6  -8.314  -4.366  -4.283
   69   1HZ   LYS   6          1HZ       LYS   6  -8.197  -1.455  -4.284
   70   2HZ   LYS   6          2HZ       LYS   6  -9.268  -2.158  -3.168
   71   3HZ   LYS   6          3HZ       LYS   6  -9.428  -2.488  -4.827
   72    H    LYS   7           H        LYS   7  -4.874  -2.907   2.082
   73    HA   LYS   7           HA       LYS   7  -3.634  -0.376   2.462
   74   1HB   LYS   7          2HB       LYS   7  -4.846  -2.386   3.990
   75   2HB   LYS   7          1HB       LYS   7  -3.211  -2.264   4.641
   76   1HG   LYS   7          2HG       LYS   7  -4.478   0.339   4.098
   77   2HG   LYS   7          1HG       LYS   7  -5.291  -0.610   5.344
   78   1HD   LYS   7          2HD       LYS   7  -2.294  -0.259   5.363
   79   2HD   LYS   7          1HD       LYS   7  -3.357   0.946   6.089
   80   1HE   LYS   7          2HE       LYS   7  -3.629  -1.981   6.796
   81   2HE   LYS   7          1HE       LYS   7  -2.488  -0.923   7.651
   82   1HZ   LYS   7          1HZ       LYS   7  -4.331  -0.443   8.854
   83   2HZ   LYS   7          2HZ       LYS   7  -5.404  -0.851   7.600
   84   3HZ   LYS   7          3HZ       LYS   7  -4.606   0.650   7.586
   85    H    ILE   8           H        ILE   8  -2.351  -3.579   2.118
   86    HA   ILE   8           HA       ILE   8   0.396  -2.826   2.870
   87    HB   ILE   8           HB       ILE   8  -0.912  -5.308   1.715
   88   1HG1  ILE   8          2HG1      ILE   8  -1.604  -4.713   4.012
   89   2HG1  ILE   8          1HG1      ILE   8  -0.611  -6.171   4.013
   90   1HG2  ILE   8          1HG2      ILE   8   1.873  -4.570   1.933
   91   2HG2  ILE   8          2HG2      ILE   8   1.168  -6.047   1.273
   92   3HG2  ILE   8          3HG2      ILE   8   1.525  -5.933   2.997
   93   1HD1  ILE   8          1HD1      ILE   8   0.146  -3.380   4.856
   94   2HD1  ILE   8          2HD1      ILE   8   1.383  -4.543   4.382
   95   3HD1  ILE   8          3HD1      ILE   8   0.326  -4.889   5.750
   96    H    GLY   9           H        GLY   9  -1.546  -2.455   0.144
   97   1HA   GLY   9          2HA       GLY   9   0.456  -3.001  -1.904
   98   2HA   GLY   9          1HA       GLY   9  -1.094  -2.201  -2.159
   99    H    ILE  10           H        ILE  10   0.389  -0.693   0.412
  100    HA   ILE  10           HA       ILE  10   1.989   1.149  -1.246
  101    HB   ILE  10           HB       ILE  10  -0.105   2.130  -1.449
  102   1HG1  ILE  10          2HG1      ILE  10  -0.085   4.098   0.190
  103   2HG1  ILE  10          1HG1      ILE  10   1.341   3.342   0.895
  104   1HG2  ILE  10          1HG2      ILE  10  -1.853   1.650  -0.145
  105   2HG2  ILE  10          2HG2      ILE  10  -1.052   2.361   1.255
  106   3HG2  ILE  10          3HG2      ILE  10  -0.774   0.672   0.846
  107   1HD1  ILE  10          1HD1      ILE  10   1.202   3.778  -2.074
  108   2HD1  ILE  10          2HD1      ILE  10   2.622   3.647  -1.036
  109   3HD1  ILE  10          3HD1      ILE  10   1.644   5.115  -1.010
  110    H    GLY  11           H        GLY  11   0.608   1.370   1.971
  111   1HA   GLY  11          2HA       GLY  11   2.731   2.509   3.311
  112   2HA   GLY  11          1HA       GLY  11   1.675   1.339   4.086
  113    H    LYS  12           H        LYS  12   2.207  -0.978   3.491
  114    HA   LYS  12           HA       LYS  12   5.004  -1.496   4.117
  115   1HB   LYS  12          2HB       LYS  12   2.449  -2.972   3.770
  116   2HB   LYS  12          1HB       LYS  12   3.914  -3.908   3.476
  117   1HG   LYS  12          2HG       LYS  12   3.664  -4.204   5.769
  118   2HG   LYS  12          1HG       LYS  12   4.713  -2.786   5.731
  119   1HD   LYS  12          2HD       LYS  12   3.026  -1.346   6.372
  120   2HD   LYS  12          1HD       LYS  12   1.761  -2.335   5.643
  121   1HE   LYS  12          2HE       LYS  12   1.489  -2.590   8.016
  122   2HE   LYS  12          1HE       LYS  12   2.295  -4.074   7.474
  123   1HZ   LYS  12          1HZ       LYS  12   4.221  -2.057   7.911
  124   2HZ   LYS  12          2HZ       LYS  12   4.069  -3.560   8.686
  125   3HZ   LYS  12          3HZ       LYS  12   3.256  -2.201   9.298
  126    H    PHE  13           H        PHE  13   3.471  -0.695   1.270
  127    HA   PHE  13           HA       PHE  13   4.884  -2.500  -0.558
  128   1HB   PHE  13          2HB       PHE  13   2.552  -1.333  -0.657
  129   2HB   PHE  13          1HB       PHE  13   3.463   0.053  -1.237
  130    HD1  PHE  13           HD1      PHE  13   2.316  -3.342  -1.990
  131    HD2  PHE  13           HD2      PHE  13   4.680  -0.033  -3.368
  132    HE1  PHE  13           HE1      PHE  13   2.386  -4.339  -4.261
  133    HE2  PHE  13           HE2      PHE  13   4.752  -1.030  -5.639
  134    HZ   PHE  13           HZ       PHE  13   3.604  -3.183  -6.085
  135    H    LEU  14           H        LEU  14   4.901   0.916   0.245
  136    HA   LEU  14           HA       LEU  14   7.077   1.685  -1.461
  137   1HB   LEU  14          2HB       LEU  14   5.184   2.875   0.145
  138   2HB   LEU  14          1HB       LEU  14   6.669   3.185   1.041
  139    HG   LEU  14           HG       LEU  14   7.677   4.277  -0.857
  140   1HD1  LEU  14          1HD1      LEU  14   7.141   3.370  -2.872
  141   2HD1  LEU  14          2HD1      LEU  14   5.781   4.493  -2.845
  142   3HD1  LEU  14          3HD1      LEU  14   5.561   2.829  -2.306
  143   1HD2  LEU  14          1HD2      LEU  14   5.234   5.649  -1.377
  144   2HD2  LEU  14          2HD2      LEU  14   6.526   6.125  -0.275
  145   3HD2  LEU  14          3HD2      LEU  14   5.195   5.125   0.307
  146    H    HIS  15           H        HIS  15   7.109  -0.261   1.292
  147    HA   HIS  15           HA       HIS  15   9.460   0.596   2.652
  148   1HB   HIS  15          2HB       HIS  15   7.687  -1.706   2.508
  149   2HB   HIS  15          1HB       HIS  15   9.360  -2.206   2.753
  150    HD1  HIS  15           HD1      HIS  15  10.385   0.094   4.503
  151    HD2  HIS  15           HD2      HIS  15   6.707  -1.771   5.117
  152    HE1  HIS  15           HE1      HIS  15   9.764   0.510   6.924
  153    H    SER  16           H        SER  16   8.949  -1.292  -0.226
  154    HA   SER  16           HA       SER  16  11.726  -2.118  -0.544
  155   1HB   SER  16          2HB       SER  16   9.720  -3.336  -1.408
  156   2HB   SER  16          1HB       SER  16   9.412  -1.984  -2.495
  157    HG   SER  16           HG       SER  16  11.269  -4.006  -2.645
  158    H    ALA  17           H        ALA  17   9.747   0.565  -1.498
  159    HA   ALA  17           HA       ALA  17  11.530   1.594  -3.550
  160   1HB   ALA  17          1HB       ALA  17   9.003   1.976  -3.175
  161   2HB   ALA  17          2HB       ALA  17   9.962   3.387  -3.623
  162   3HB   ALA  17          3HB       ALA  17   9.491   3.137  -1.941
  163    H    LYS  18           H        LYS  18  11.530   1.607  -0.137
  164    HA   LYS  18           HA       LYS  18  12.999   4.109   0.217
  165   1HB   LYS  18          2HB       LYS  18  11.839   1.931   1.819
  166   2HB   LYS  18          1HB       LYS  18  13.322   2.596   2.502
  167   1HG   LYS  18          2HG       LYS  18  12.099   4.311   3.302
  168   2HG   LYS  18          1HG       LYS  18  11.845   4.827   1.634
  169   1HD   LYS  18          2HD       LYS  18   9.707   4.057   1.590
  170   2HD   LYS  18          1HD       LYS  18  10.114   2.598   2.496
  171   1HE   LYS  18          2HE       LYS  18  10.369   5.000   4.146
  172   2HE   LYS  18          1HE       LYS  18   8.724   4.788   3.515
  173   1HZ   LYS  18          1HZ       LYS  18   9.237   2.296   4.109
  174   2HZ   LYS  18          2HZ       LYS  18   8.644   3.369   5.285
  175   3HZ   LYS  18          3HZ       LYS  18  10.302   3.003   5.224
  176    H    LYS  19           H        LYS  19  13.774   0.903  -0.661
  177    HA   LYS  19           HA       LYS  19  16.555   0.986   0.297
  178   1HB   LYS  19          2HB       LYS  19  15.114  -0.916  -1.575
  179   2HB   LYS  19          1HB       LYS  19  16.628  -1.235  -0.724
  180   1HG   LYS  19          2HG       LYS  19  14.603  -0.346   1.133
  181   2HG   LYS  19          1HG       LYS  19  14.020  -1.734   0.213
  182   1HD   LYS  19          2HD       LYS  19  15.158  -2.874   1.863
  183   2HD   LYS  19          1HD       LYS  19  16.499  -2.619   0.744
  184   1HE   LYS  19          2HE       LYS  19  17.574  -1.277   2.226
  185   2HE   LYS  19          1HE       LYS  19  16.108  -0.317   2.507
  186   1HZ   LYS  19          1HZ       LYS  19  16.891  -1.648   4.468
  187   2HZ   LYS  19          2HZ       LYS  19  16.490  -3.050   3.597
  188   3HZ   LYS  19          3HZ       LYS  19  15.283  -1.927   4.010
  189    H    PHE  20           H        PHE  20  14.795   2.085  -2.379
  190    HA   PHE  20           HA       PHE  20  17.269   2.260  -4.065
  191   1HB   PHE  20          2HB       PHE  20  14.364   2.549  -4.883
  192   2HB   PHE  20          1HB       PHE  20  15.751   2.293  -5.941
  193    HD1  PHE  20           HD1      PHE  20  17.257   0.203  -4.490
  194    HD2  PHE  20           HD2      PHE  20  13.032   0.630  -5.142
  195    HE1  PHE  20           HE1      PHE  20  16.972  -2.251  -4.270
  196    HE2  PHE  20           HE2      PHE  20  12.748  -1.823  -4.917
  197    HZ   PHE  20           HZ       PHE  20  14.718  -3.264  -4.482
  198   1HN   NH2  21          1HN       NH2  21  15.184   4.328  -5.488
  199   2HN   NH2  21          2HN       NH2  21  15.557   5.774  -4.681