*HEADER    MEMBRANE PROTEIN                        29-OCT-99   1D9P              
*TITLE     SOLUTION STRUCTURE OF CECROPIN A(1-8)-MAGAININ 2(1-12)                
*TITLE    2 HYBRID PEPTIDE ANALOGUE( P4)                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CECROPIN A(1-8)-MAGAININ 2 HYBRID PEPTIDE                  
*COMPND   3 ANALOGUE;                                                            
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: XENOPUS LAEVIS + HYALOPHORA CECROPIA;           
*SOURCE   3 ORGANISM_COMMON: AFRICAN CLAWED FROG + CECROPIA MOTH;                
*SOURCE   4 CELLULAR_LOCATION: MEMBRANE                                          
*KEYWDS    HELIX-HINGE-HELIX                                                     
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    D.OH, Y.KIM                                                           
*REVDAT   1   12-NOV-99 1D9P    0 

! 
assign (resid    3 and  name HN   )(resid    2 and  name HN   ) 4.0 2.2 1.0 
assign (resid    4 and  name HN   )(resid    3 and  name HN   ) 3.0 1.2 0.3 
assign (resid    4 and  name HN   )(resid    5 and  name HN   ) 3.0 1.2 0.3 
assign (resid    5 and  name HN   )(resid    6 and  name HN   ) 3.0 1.2 0.3 
assign (resid    6 and  name HN   )(resid    7 and  name HN   ) 3.0 1.2 0.3 
assign (resid    8 and  name HN   )(resid    7 and  name HN   ) 3.0 1.2 0.3 
assign (resid    8 and  name HN   )(resid    9 and  name HN   ) 3.0 1.2 0.3 
assign (resid   10 and  name HN   )(resid    9 and  name HN   ) 3.0 1.2 0.3 
assign (resid   10 and  name HN   )(resid   11 and  name HN   ) 3.0 1.2 0.3 
assign (resid   12 and  name HN   )(resid   11 and  name HN   ) 3.0 1.2 0.3 
assign (resid   13 and  name HN   )(resid   12 and  name HN   ) 3.0 1.2 0.3 
assign (resid   13 and  name HN   )(resid   14 and  name HN   ) 2.5 0.7 0.2 
assign (resid   14 and  name HN   )(resid   15 and  name HN   ) 4.0 2.2 1.0 
assign (resid   15 and  name HN   )(resid   16 and  name HN   ) 4.0 2.2 1.0 
assign (resid   16 and  name HN   )(resid   17 and  name HN   ) 4.0 2.2 1.0 
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   ) 4.0 2.2 1.0 
assign (resid   19 and  name HN   )(resid   20 and  name HN   ) 4.0 2.2 1.0 
! 
assign (resid    2 and  name HN   )(resid    1 and  name HA   ) 2.5 0.7 0.2 
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   ) 4.0 2.2 1.0 
assign (resid    6 and  name HN   )(resid    5 and  name HA   ) 3.0 1.2 0.3 
assign (resid    7 and  name HN   )(resid    6 and  name HA   ) 4.0 2.2 1.0 
assign (resid    8 and  name HN   )(resid    7 and  name HA   ) 3.0 1.2 0.3 
assign (resid    9 and  name HN   )(resid    8 and  name HA   ) 4.0 2.2 1.0 
assign (resid   10 and  name HN   )(resid    9 and  name HA1  ) 4.0 2.2 1.0 
assign (resid   10 and  name HN   )(resid    9 and  name HA2  ) 4.0 2.2 1.0 
assign (resid   11 and  name HN   )(resid   10 and  name HA   ) 4.0 2.2 1.0 
assign (resid   12 and  name HN   )(resid   11 and  name HA1  ) 3.0 1.2 0.3 
assign (resid   12 and  name HN   )(resid   11 and  name HA2  ) 4.0 2.2 1.0 
assign (resid   13 and  name HN   )(resid   12 and  name HA   ) 4.0 2.2 1.0 
assign (resid   14 and  name HN   )(resid   13 and  name HA   ) 4.0 2.2 1.0 
assign (resid   15 and  name HN   )(resid   14 and  name HA   ) 4.0 2.2 1.0 
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   ) 4.0 2.2 1.0 
assign (resid   19 and  name HN   )(resid   18 and  name HA   ) 3.0 1.2 0.3 
assign (resid   20 and  name HN   )(resid   19 and  name HA   ) 4.0 2.2 1.0 
! 
assign (resid    3 and  name HN   )(resid    2 and  name HB#  ) 4.0 2.2 2.0 
assign (resid    3 and  name HN   )(resid    2 and  name HG   ) 4.0 2.2 1.0 
assign (resid    4 and  name HN   )(resid    3 and  name HB#  ) 4.0 2.2 2.0 
assign (resid    5 and  name HN   )(resid    4 and  name HB#  ) 4.0 2.2 2.0 
assign (resid    5 and  name HN   )(resid    4 and  name HG   ) 4.0 2.2 1.0 
assign (resid    5 and  name HN   )(resid    4 and  name HD1# ) 4.0 2.2 2.5 
assign (resid    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    9 and  name HN   )(resid    8 and  name HB   ) 3.0 1.2 0.3 
assign (resid    9 and  name HN   )(resid    8 and  name HG11 ) 4.0 2.2 1.0 
assign (resid    9 and  name HN   )(resid    8 and  name HG12 ) 4.0 2.2 1.0 
assign (resid    9 and  name HN   )(resid    8 and  name HG2# ) 4.0 2.2 2.5 
assign (resid   11 and  name HN   )(resid   10 and  name HB   ) 4.0 2.2 1.0 
assign (resid   11 and  name HN   )(resid   10 and  name HG2# ) 4.0 2.2 2.5 
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   14 and  name HN   )(resid   13 and  name HB1  ) 3.0 1.2 0.3 
assign (resid   14 and  name HN   )(resid   13 and  name HB2  ) 3.0 1.2 0.3 
assign (resid   15 and  name HN   )(resid   14 and  name HB#  ) 4.0 2.2 2.0 
assign (resid   16 and  name HN   )(resid   15 and  name HB1  ) 3.0 1.2 0.3 
assign (resid   16 and  name HN   )(resid   15 and  name HB2  ) 3.0 1.2 0.3 
assign (resid   17 and  name HN   )(resid   16 and  name HB#  ) 3.0 1.2 1.3 
assign (resid   18 and  name HN   )(resid   17 and  name HB#  ) 3.0 1.2 1.8 
assign (resid   19 and  name HN   )(resid   18 and  name HB#  ) 4.0 2.2 2.0 
assign (resid   20 and  name HN   )(resid   19 and  name HB#  ) 3.0 1.2 1.3 
assign (resid   20 and  name HN   )(resid   20 and  name H1   ) 4.0 2.2 1.0 
assign (resid   20 and  name HN   )(resid   20 and  name H2   ) 3.0 1.2 0.3 
! 
assign (resid    4 and  name HN   )(resid    2 and  name HB#  ) 4.0 2.2 2.0 
assign (resid    4 and  name HN   )(resid    2 and  name HA   ) 4.0 2.2 1.0 
assign (resid    5 and  name HN   )(resid    3 and  name HA   ) 4.0 2.2 1.0 
assign (resid    7 and  name HN   )(resid    9 and  name HN   ) 4.0 2.2 1.0 
assign (resid    7 and  name HN   )(resid    5 and  name HA   ) 4.0 2.2 1.0 
assign (resid    9 and  name HN   )(resid    7 and  name HA   ) 4.0 2.2 1.0 
assign (resid    9 and  name HN   )(resid   11 and  name HN   ) 4.0 2.2 1.0 
assign (resid   11 and  name HN   )(resid    9 and  name HA2  ) 4.0 2.2 1.0 
assign (resid   12 and  name HN   )(resid   10 and  name HA   ) 4.0 2.2 1.0 
assign (resid   13 and  name HN   )(resid   11 and  name HN   ) 4.0 2.2 1.0 
assign (resid   13 and  name HN   )(resid   11 and  name HA1  ) 4.0 2.2 1.0 
assign (resid   13 and  name HN   )(resid   11 and  name HA2  ) 4.0 2.2 1.0 
assign (resid   19 and  name HN   )(resid   17 and  name HN   ) 4.0 2.2 1.0 
! 
assign (resid    7 and  name HN   )(resid    4 and  name HA   ) 4.0 2.2 1.0 
assign (resid    7 and  name HB   )(resid    4 and  name HA   ) 4.0 2.2 1.0 
assign (resid    8 and  name HN   )(resid    5 and  name HA   ) 4.0 2.2 1.0 
assign (resid    8 and  name HB   )(resid    5 and  name HA   ) 4.0 2.2 1.0 
assign (resid   13 and  name HN   )(resid   10 and  name HA   ) 4.0 2.2 1.0 
assign (resid   13 and  name HB1  )(resid   10 and  name HA   ) 4.0 2.2 1.0 
assign (resid   13 and  name HB2  )(resid   10 and  name HA   ) 4.0 2.2 1.0 
assign (resid   14 and  name HN   )(resid   11 and  name HA1  ) 4.0 2.2 1.0 
assign (resid   14 and  name HB#  )(resid   11 and  name HA1  ) 4.0 2.2 2.0 
assign (resid   15 and  name HN   )(resid   12 and  name HA   ) 4.0 2.2 1.0 
assign (resid   15 and  name HB2  )(resid   12 and  name HA   ) 4.0 2.2 1.0 
assign (resid   15 and  name HB1  )(resid   12 and  name HA   ) 4.0 2.2 1.0 
assign (resid   16 and  name HB2  )(resid   13 and  name HA   ) 4.0 2.2 1.0 
assign (resid   16 and  name HB1  )(resid   13 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   18 and  name HB#  )(resid   15 and  name HA   ) 4.0 2.2 2.0 
assign (resid   19 and  name HN   )(resid   16 and  name HA   ) 4.0 2.2 1.0 
assign (resid   19 and  name HB#  )(resid   16 and  name HA   ) 4.0 2.2 2.0 
assign (resid   20 and  name HN   )(resid   17 and  name HA   ) 4.0 2.2 1.0 
assign (resid   20 and  name HB1  )(resid   17 and  name HA   ) 4.0 2.2 1.0 
assign (resid   20 and  name HB2  )(resid   17 and  name HA   ) 4.0 2.2 1.0 
! 
assign (resid   19 and  name HN   )(resid   15 and  name HA   ) 4.0 2.2 1.0 
!
assign (resid    2 and  name HN   )(resid    2 and  name HB#  ) 4.0 2.2 2.0 
assign (resid    2 and  name HN   )(resid    2 and  name HG   ) 4.0 2.2 1.0 
assign (resid    2 and  name HG   )(resid    2 and  name HA   ) 2.5 0.7 0.2 
assign (resid    3 and  name HN   )(resid    3 and  name HB#  ) 3.0 1.2 1.3 
assign (resid    3 and  name HN   )(resid    3 and  name HG2  ) 4.0 2.2 1.0 
assign (resid    3 and  name HN   )(resid    3 and  name HG1  ) 4.0 2.2 1.0 
assign (resid    4 and  name HN   )(resid    4 and  name HD1# ) 4.0 2.2 2.5 
assign (resid    4 and  name HA   )(resid    4 and  name HD2# ) 4.0 2.2 2.5 
assign (resid    4 and  name HA   )(resid    4 and  name HD1# ) 4.0 2.2 2.5 
assign (resid    5 and  name HN   )(resid    5 and  name HB1  ) 4.0 2.2 1.0 
assign (resid    5 and  name HN   )(resid    5 and  name HB2  ) 3.0 1.2 0.3 
assign (resid    5 and  name HN   )(resid    5 and  name HD#  ) 4.0 2.2 3.0 
assign (resid    5 and  name HD#  )(resid    5 and  name HB1  ) 3.0 1.2 2.3 
assign (resid    5 and  name HD#  )(resid    5 and  name HB2  ) 4.0 2.2 3.0 
assign (resid    6 and  name HN   )(resid    6 and  name HG#  ) 3.0 1.2 1.3 
assign (resid    7 and  name HN   )(resid    7 and  name HB#  ) 2.5 0.7 1.2 
assign (resid    7 and  name HN   )(resid    7 and  name HG#  ) 3.0 1.2 1.3 
assign (resid    8 and  name HN   )(resid    8 and  name HG11 ) 3.0 1.2 0.3 
assign (resid    8 and  name HN   )(resid    8 and  name HG2# ) 4.0 2.2 2.5 
assign (resid    8 and  name HN   )(resid    8 and  name HD1# ) 4.0 2.2 2.5 
assign (resid    8 and  name HN   )(resid    8 and  name HB   ) 2.5 0.7 0.2 
assign (resid    8 and  name HN   )(resid    8 and  name HG12 ) 3.0 1.2 0.3 
assign (resid    8 and  name HA   )(resid    8 and  name HG2# ) 4.0 2.2 2.5 
assign (resid   10 and  name HN   )(resid   10 and  name HB   ) 2.5 0.7 0.2 
assign (resid   10 and  name HN   )(resid   10 and  name HG11 ) 3.0 1.2 0.3 
assign (resid   10 and  name HN   )(resid   10 and  name HG2# ) 4.0 2.2 2.5 
assign (resid   10 and  name HA   )(resid   10 and  name HG2# ) 4.0 2.2 2.5 
assign (resid   10 and  name HN   )(resid   10 and  name HG12 ) 4.0 2.2 1.0 
assign (resid   12 and  name HN   )(resid   12 and  name HG#  ) 3.0 1.2 1.3 
assign (resid   13 and  name HN   )(resid   13 and  name HB1  ) 4.0 2.2 1.0 
assign (resid   13 and  name HN   )(resid   13 and  name HB2  ) 2.5 0.7 0.2 
assign (resid   13 and  name HN   )(resid   13 and  name HD#  ) 4.0 2.2 3.0 
assign (resid   13 and  name HD#  )(resid   13 and  name HB2  ) 4.0 2.2 3.0 
assign (resid   13 and  name HD#  )(resid   13 and  name HB1  ) 4.0 2.2 3.0 
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 HB2  ) 2.5 0.7 0.2 
assign (resid   15 and  name HN   )(resid   15 and  name HB1  ) 2.5 0.7 0.2 
assign (resid   15 and  name HN   )(resid   15 and  name HD1  ) 4.0 2.2 1.0 
assign (resid   15 and  name HD2  )(resid   15 and  name HB2  ) 3.0 1.2 0.3 
assign (resid   17 and  name HN   )(resid   17 and  name HB#  ) 3.0 1.2 1.3 
assign (resid   18 and  name HN   )(resid   18 and  name HG#  ) 4.0 2.2 2.0 
assign (resid   18 and  name HN   )(resid   18 and  name HB#  ) 4.0 2.2 2.0 
assign (resid   19 and  name HA   )(resid   19 and  name HG#  ) 4.0 2.2 2.0 
assign (resid   19 and  name HN   )(resid   19 and  name HG#  ) 4.0 2.2 2.0 
assign (resid   19 and  name HN   )(resid   19 and  name HB#  ) 3.0 1.2 1.3 
assign (resid   20 and  name HN   )(resid   20 and  name HB1  ) 4.0 2.2 1.0 
assign (resid   20 and  name HN   )(resid   20 and  name HB2  ) 4.0 2.2 1.0 
assign (resid   20 and  name HN   )(resid   20 and  name HD#  ) 4.0 2.2 3.0 
assign (resid   20 and  name HD#  )(resid   20 and  name HB1  ) 3.0 1.2 2.3 
assign (resid   20 and  name HD#  )(resid   20 and  name HB2  ) 3.0 1.2 2.3 
!
assign (resid   16 and  name N    )(resid   12 and  name O    ) 3.3 0.8 0.2
assign (resid   18 and  name N    )(resid   14 and  name O    ) 3.3 0.8 0.2
assign (resid   19 and  name N    )(resid   15 and  name O    ) 3.3 0.8 0.2
assign (resid   20 and  name N    )(resid   16 and  name O    ) 3.3 0.8 0.2
assign (resid   16 and  name HN   )(resid   12 and  name O    ) 2.3 0.8 0.2
assign (resid   18 and  name HN   )(resid   14 and  name O    ) 2.3 0.8 0.2
assign (resid   19 and  name HN   )(resid   15 and  name O    ) 2.3 0.8 0.2
assign (resid   20 and  name HN   )(resid   16 and  name O    ) 2.3 0.8 0.2
!
!!Phi
  !!    3
 assign (resid   2 and name c )   (resid   3 and name n ) 
        (resid   3 and name ca)   (resid   3 and name c )  1.0 -105.0 60.0 2
  !!    4
 assign (resid   3 and name c )   (resid   4 and name n ) 
        (resid   4 and name ca)   (resid   4 and name c )  1.0 -105.0 60.0 2
  !!    5
 assign (resid   4 and name c )   (resid   5 and name n ) 
        (resid   5 and name ca)   (resid   5 and name c )  1.0 -105.0 60.0 2
  !!    6
 assign (resid   5 and name c )   (resid   6 and name n ) 
        (resid   6 and name ca)   (resid   6 and name c )  1.0 -60.0 25.0 2
  !!    7
 assign (resid   6 and name c )   (resid   7 and name n ) 
        (resid   7 and name ca)   (resid   7 and name c )  1.0 -60.0 25.0 2
  !!    8
 assign (resid   7 and name c )   (resid   8 and name n ) 
        (resid   8 and name ca)   (resid   8 and name c )  1.0 -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
  !!    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 -105.0 60.0 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 -60.0 25.0 2
  !!    16 
 assign (resid   15 and name c )   (resid   16 and name n ) 
        (resid   16 and name ca)   (resid   16 and name c )  1.0 -60.0 25.0 2
  !!    17 
 assign (resid   16 and name c )   (resid   17 and name n ) 
        (resid   17 and name ca)   (resid   17 and name c )  1.0 -105.0 60.0 2
  !!    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 -105.0 60.0 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
                                               

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    LYS   1          1H        LYS   1  19.103   5.676   2.541
    2   2H    LYS   1          2H        LYS   1  17.663   5.814   3.431
    3   3H    LYS   1          3H        LYS   1  18.087   7.015   2.307
    4    HA   LYS   1           HA       LYS   1  17.515   5.737   0.489
    5   1HB   LYS   1          2HB       LYS   1  18.049   3.462   2.420
    6   2HB   LYS   1          1HB       LYS   1  17.434   3.211   0.786
    7   1HG   LYS   1          2HG       LYS   1  19.800   4.976   0.963
    8   2HG   LYS   1          1HG       LYS   1  20.089   3.295   1.413
    9   1HD   LYS   1          2HD       LYS   1  18.475   3.163  -0.878
   10   2HD   LYS   1          1HD       LYS   1  19.653   4.431  -1.220
   11   1HE   LYS   1          2HE       LYS   1  20.295   1.608  -0.290
   12   2HE   LYS   1          1HE       LYS   1  20.598   2.277  -1.906
   13   1HZ   LYS   1          1HZ       LYS   1  22.563   2.872  -1.016
   14   2HZ   LYS   1          2HZ       LYS   1  22.004   2.762   0.584
   15   3HZ   LYS   1          3HZ       LYS   1  21.683   4.153  -0.337
   16    H    LEU   2           H        LEU   2  15.549   3.890   0.302
   17    HA   LEU   2           HA       LEU   2  13.451   4.682   2.292
   18   1HB   LEU   2          2HB       LEU   2  13.739   5.391  -0.485
   19   2HB   LEU   2          1HB       LEU   2  12.301   4.387  -0.296
   20    HG   LEU   2           HG       LEU   2  12.181   6.114   1.884
   21   1HD1  LEU   2          1HD1      LEU   2  13.582   7.822   1.318
   22   2HD1  LEU   2          2HD1      LEU   2  12.265   8.294   0.245
   23   3HD1  LEU   2          3HD1      LEU   2  13.620   7.357  -0.383
   24   1HD2  LEU   2          1HD2      LEU   2  10.105   6.286   1.019
   25   2HD2  LEU   2          2HD2      LEU   2  10.670   5.405  -0.401
   26   3HD2  LEU   2          3HD2      LEU   2  10.722   7.167  -0.378
   27    H    LYS   3           H        LYS   3  11.454   3.188   1.953
   28    HA   LYS   3           HA       LYS   3  12.400   0.413   1.309
   29   1HB   LYS   3          2HB       LYS   3  11.927   1.170   3.747
   30   2HB   LYS   3          1HB       LYS   3  10.227   1.147   3.275
   31   1HG   LYS   3          2HG       LYS   3  11.699  -1.256   2.445
   32   2HG   LYS   3          1HG       LYS   3  11.641  -1.038   4.195
   33   1HD   LYS   3          2HD       LYS   3   9.114  -0.554   3.829
   34   2HD   LYS   3          1HD       LYS   3   9.350  -1.322   2.260
   35   1HE   LYS   3          2HE       LYS   3   9.663  -3.413   3.181
   36   2HE   LYS   3          1HE       LYS   3  10.438  -2.766   4.639
   37   1HZ   LYS   3          1HZ       LYS   3   8.486  -2.715   5.671
   38   2HZ   LYS   3          2HZ       LYS   3   7.769  -3.477   4.333
   39   3HZ   LYS   3          3HZ       LYS   3   7.795  -1.782   4.435
   40    H    LEU   4           H        LEU   4  11.435   1.583  -0.870
   41    HA   LEU   4           HA       LEU   4   8.704   1.928  -1.334
   42   1HB   LEU   4          2HB       LEU   4   9.268   1.506  -3.631
   43   2HB   LEU   4          1HB       LEU   4  10.708   2.198  -2.886
   44    HG   LEU   4           HG       LEU   4  10.693  -0.686  -2.572
   45   1HD1  LEU   4          1HD1      LEU   4  10.052   0.453  -5.254
   46   2HD1  LEU   4          2HD1      LEU   4   9.601  -1.105  -4.560
   47   3HD1  LEU   4          3HD1      LEU   4  11.232  -0.855  -5.183
   48   1HD2  LEU   4          1HD2      LEU   4  12.737   0.200  -4.320
   49   2HD2  LEU   4          2HD2      LEU   4  12.868  -0.119  -2.591
   50   3HD2  LEU   4          3HD2      LEU   4  12.470   1.502  -3.160
   51    H    PHE   5           H        PHE   5  10.352  -1.035  -0.537
   52    HA   PHE   5           HA       PHE   5   8.848  -3.056  -1.681
   53   1HB   PHE   5          2HB       PHE   5  10.168  -2.574   0.942
   54   2HB   PHE   5          1HB       PHE   5   9.102  -3.974   0.841
   55    HD1  PHE   5           HD1      PHE   5   9.409  -5.110  -1.735
   56    HD2  PHE   5           HD2      PHE   5  12.399  -3.171   0.666
   57    HE1  PHE   5           HE1      PHE   5  11.184  -6.374  -2.922
   58    HE2  PHE   5           HE2      PHE   5  14.171  -4.435  -0.523
   59    HZ   PHE   5           HZ       PHE   5  13.564  -6.036  -2.315
   60    H    LYS   6           H        LYS   6   7.901  -0.852   0.841
   61    HA   LYS   6           HA       LYS   6   5.439  -2.156   1.605
   62   1HB   LYS   6          2HB       LYS   6   6.601  -0.567   3.038
   63   2HB   LYS   6          1HB       LYS   6   6.464   0.694   1.812
   64   1HG   LYS   6          2HG       LYS   6   4.549   1.302   2.847
   65   2HG   LYS   6          1HG       LYS   6   3.841  -0.159   2.156
   66   1HD   LYS   6          2HD       LYS   6   3.420  -0.260   4.512
   67   2HD   LYS   6          1HD       LYS   6   4.720  -1.407   4.193
   68   1HE   LYS   6          2HE       LYS   6   5.942  -0.314   5.763
   69   2HE   LYS   6          1HE       LYS   6   6.009   1.063   4.647
   70   1HZ   LYS   6          1HZ       LYS   6   4.394   2.146   5.744
   71   2HZ   LYS   6          2HZ       LYS   6   4.801   1.131   7.043
   72   3HZ   LYS   6          3HZ       LYS   6   3.490   0.742   6.036
   73    H    LYS   7           H        LYS   7   6.340  -0.026  -1.030
   74    HA   LYS   7           HA       LYS   7   3.909   1.181  -1.722
   75   1HB   LYS   7          2HB       LYS   7   6.362   1.124  -2.741
   76   2HB   LYS   7          1HB       LYS   7   5.635  -0.064  -3.826
   77   1HG   LYS   7          2HG       LYS   7   4.913   1.702  -5.036
   78   2HG   LYS   7          1HG       LYS   7   3.742   1.958  -3.743
   79   1HD   LYS   7          2HD       LYS   7   4.719   3.929  -3.277
   80   2HD   LYS   7          1HD       LYS   7   6.205   3.071  -2.863
   81   1HE   LYS   7          2HE       LYS   7   7.214   3.660  -4.820
   82   2HE   LYS   7          1HE       LYS   7   5.750   3.331  -5.768
   83   1HZ   LYS   7          1HZ       LYS   7   6.325   5.728  -4.115
   84   2HZ   LYS   7          2HZ       LYS   7   4.781   5.365  -4.723
   85   3HZ   LYS   7          3HZ       LYS   7   6.066   5.670  -5.790
   86    H    ILE   8           H        ILE   8   4.752  -2.157  -1.787
   87    HA   ILE   8           HA       ILE   8   2.417  -2.842  -3.510
   88    HB   ILE   8           HB       ILE   8   4.451  -4.722  -2.293
   89   1HG1  ILE   8          2HG1      ILE   8   4.717  -2.977  -4.759
   90   2HG1  ILE   8          1HG1      ILE   8   5.794  -3.027  -3.362
   91   1HG2  ILE   8          1HG2      ILE   8   3.179  -4.885  -5.016
   92   2HG2  ILE   8          2HG2      ILE   8   2.282  -5.404  -3.589
   93   3HG2  ILE   8          3HG2      ILE   8   3.806  -6.189  -4.007
   94   1HD1  ILE   8          1HD1      ILE   8   5.920  -4.611  -5.733
   95   2HD1  ILE   8          2HD1      ILE   8   5.542  -5.686  -4.387
   96   3HD1  ILE   8          3HD1      ILE   8   6.985  -4.673  -4.329
   97    H    GLY   9           H        GLY   9   3.308  -2.542  -0.232
   98   1HA   GLY   9          2HA       GLY   9   1.351  -4.567   0.693
   99   2HA   GLY   9          1HA       GLY   9   2.463  -3.666   1.724
  100    H    ILE  10           H        ILE  10   1.476  -1.256  -0.079
  101    HA   ILE  10           HA       ILE  10  -0.602  -0.414   1.838
  102    HB   ILE  10           HB       ILE  10   0.591   0.989  -0.574
  103   1HG1  ILE  10          2HG1      ILE  10   1.501   1.351   2.276
  104   2HG1  ILE  10          1HG1      ILE  10   2.185   0.065   1.282
  105   1HG2  ILE  10          1HG2      ILE  10  -1.376   1.699   1.438
  106   2HG2  ILE  10          2HG2      ILE  10  -0.873   2.602   0.009
  107   3HG2  ILE  10          3HG2      ILE  10   0.018   2.776   1.522
  108   1HD1  ILE  10          1HD1      ILE  10   2.295   2.202  -0.434
  109   2HD1  ILE  10          2HD1      ILE  10   3.636   1.665   0.578
  110   3HD1  ILE  10          3HD1      ILE  10   2.593   2.979   1.122
  111    H    GLY  11           H        GLY  11  -1.300  -2.593  -0.019
  112   1HA   GLY  11          2HA       GLY  11  -3.133  -1.308  -1.958
  113   2HA   GLY  11          1HA       GLY  11  -2.788  -3.036  -1.852
  114    H    LYS  12           H        LYS  12  -3.526  -4.039   0.323
  115    HA   LYS  12           HA       LYS  12  -6.280  -4.053   0.588
  116   1HB   LYS  12          2HB       LYS  12  -3.961  -4.941   2.023
  117   2HB   LYS  12          1HB       LYS  12  -5.139  -4.337   3.192
  118   1HG   LYS  12          2HG       LYS  12  -5.902  -6.508   2.955
  119   2HG   LYS  12          1HG       LYS  12  -6.829  -5.724   1.675
  120   1HD   LYS  12          2HD       LYS  12  -5.878  -7.640   0.641
  121   2HD   LYS  12          1HD       LYS  12  -4.856  -6.297   0.126
  122   1HE   LYS  12          2HE       LYS  12  -3.073  -6.961   1.467
  123   2HE   LYS  12          1HE       LYS  12  -4.127  -7.775   2.640
  124   1HZ   LYS  12          1HZ       LYS  12  -3.321  -8.680  -0.054
  125   2HZ   LYS  12          2HZ       LYS  12  -4.748  -9.260   0.662
  126   3HZ   LYS  12          3HZ       LYS  12  -3.248  -9.527   1.414
  127    H    PHE  13           H        PHE  13  -4.002  -1.768   2.048
  128    HA   PHE  13           HA       PHE  13  -5.883  -0.471   3.803
  129   1HB   PHE  13          2HB       PHE  13  -3.202  -0.448   3.416
  130   2HB   PHE  13          1HB       PHE  13  -3.631   1.048   2.585
  131    HD1  PHE  13           HD1      PHE  13  -4.741   2.892   3.791
  132    HD2  PHE  13           HD2      PHE  13  -3.482  -0.684   5.810
  133    HE1  PHE  13           HE1      PHE  13  -4.993   4.037   5.975
  134    HE2  PHE  13           HE2      PHE  13  -3.733   0.461   7.995
  135    HZ   PHE  13           HZ       PHE  13  -4.489   2.822   8.078
  136    H    LEU  14           H        LEU  14  -4.629   0.419   0.570
  137    HA   LEU  14           HA       LEU  14  -6.389   2.683   0.228
  138   1HB   LEU  14          2HB       LEU  14  -4.350   1.164  -1.213
  139   2HB   LEU  14          1HB       LEU  14  -5.638   1.714  -2.285
  140    HG   LEU  14           HG       LEU  14  -3.738   3.358  -2.003
  141   1HD1  LEU  14          1HD1      LEU  14  -6.185   3.911  -2.582
  142   2HD1  LEU  14          2HD1      LEU  14  -5.183   5.238  -1.992
  143   3HD1  LEU  14          3HD1      LEU  14  -6.331   4.450  -0.909
  144   1HD2  LEU  14          1HD2      LEU  14  -4.625   4.486   0.473
  145   2HD2  LEU  14          2HD2      LEU  14  -3.028   3.850   0.076
  146   3HD2  LEU  14          3HD2      LEU  14  -4.261   2.782   0.747
  147    H    HIS  15           H        HIS  15  -6.698  -0.762  -0.334
  148    HA   HIS  15           HA       HIS  15  -8.974  -0.643  -2.123
  149   1HB   HIS  15          2HB       HIS  15  -7.230  -2.498  -1.669
  150   2HB   HIS  15          1HB       HIS  15  -8.231  -2.900  -0.277
  151    HD1  HIS  15           HD1      HIS  15 -10.915  -3.193  -0.950
  152    HD2  HIS  15           HD2      HIS  15  -8.102  -3.759  -3.974
  153    HE1  HIS  15           HE1      HIS  15 -12.093  -4.466  -2.794
  154    H    SER  16           H        SER  16  -8.687  -1.635   1.245
  155    HA   SER  16           HA       SER  16 -11.315  -2.008   1.985
  156   1HB   SER  16          2HB       SER  16  -9.049  -1.983   3.312
  157   2HB   SER  16          1HB       SER  16  -9.504  -0.325   3.694
  158    HG   SER  16           HG       SER  16 -11.183  -2.582   4.078
  159    H    ALA  17           H        ALA  17  -9.717   1.013   1.349
  160    HA   ALA  17           HA       ALA  17 -11.988   2.660   2.239
  161   1HB   ALA  17          1HB       ALA  17 -10.478   4.480   1.413
  162   2HB   ALA  17          2HB       ALA  17  -9.377   3.245   0.803
  163   3HB   ALA  17          3HB       ALA  17  -9.668   3.388   2.536
  164    H    LYS  18           H        LYS  18 -10.715   1.305  -0.735
  165    HA   LYS  18           HA       LYS  18 -11.983   2.951  -2.660
  166   1HB   LYS  18          2HB       LYS  18 -10.285   0.905  -2.721
  167   2HB   LYS  18          1HB       LYS  18 -11.760  -0.014  -3.015
  168   1HG   LYS  18          2HG       LYS  18 -12.278   1.695  -4.855
  169   2HG   LYS  18          1HG       LYS  18 -10.607   2.232  -4.675
  170   1HD   LYS  18          2HD       LYS  18  -9.772   0.023  -5.219
  171   2HD   LYS  18          1HD       LYS  18 -11.405  -0.640  -5.215
  172   1HE   LYS  18          2HE       LYS  18 -11.840   1.221  -7.051
  173   2HE   LYS  18          1HE       LYS  18 -10.082   1.104  -7.266
  174   1HZ   LYS  18          1HZ       LYS  18 -12.088  -1.069  -7.448
  175   2HZ   LYS  18          2HZ       LYS  18 -10.430  -1.383  -7.250
  176   3HZ   LYS  18          3HZ       LYS  18 -10.984  -0.567  -8.634
  177    H    LYS  19           H        LYS  19 -13.279   0.525  -0.553
  178    HA   LYS  19           HA       LYS  19 -15.958   0.861  -1.870
  179   1HB   LYS  19          2HB       LYS  19 -14.387  -1.422  -1.666
  180   2HB   LYS  19          1HB       LYS  19 -15.542  -1.604  -0.344
  181   1HG   LYS  19          2HG       LYS  19 -17.202  -2.089  -1.786
  182   2HG   LYS  19          1HG       LYS  19 -16.885  -0.620  -2.709
  183   1HD   LYS  19          2HD       LYS  19 -14.803  -2.591  -3.153
  184   2HD   LYS  19          1HD       LYS  19 -16.389  -3.256  -3.537
  185   1HE   LYS  19          2HE       LYS  19 -16.485  -2.037  -5.443
  186   2HE   LYS  19          1HE       LYS  19 -16.200  -0.540  -4.536
  187   1HZ   LYS  19          1HZ       LYS  19 -14.102  -0.528  -5.224
  188   2HZ   LYS  19          2HZ       LYS  19 -14.397  -1.908  -6.168
  189   3HZ   LYS  19          3HZ       LYS  19 -13.832  -2.072  -4.577
  190    H    PHE  20           H        PHE  20 -14.194   1.524   0.885
  191    HA   PHE  20           HA       PHE  20 -16.644   2.039   2.438
  192   1HB   PHE  20          2HB       PHE  20 -15.054  -0.350   2.729
  193   2HB   PHE  20          1HB       PHE  20 -14.943   0.608   4.205
  194    HD1  PHE  20           HD1      PHE  20 -16.531  -2.108   3.351
  195    HD2  PHE  20           HD2      PHE  20 -17.596   1.975   4.153
  196    HE1  PHE  20           HE1      PHE  20 -18.815  -2.830   3.994
  197    HE2  PHE  20           HE2      PHE  20 -19.879   1.253   4.797
  198    HZ   PHE  20           HZ       PHE  20 -20.489  -1.149   4.716
  199   1HN   NH2  21          1HN       NH2  21 -14.027   3.381   1.328
  200   2HN   NH2  21          2HN       NH2  21 -13.432   4.236   2.667
  Start of MODEL    2
    1   1H    LYS   1          1H        LYS   1  10.180   0.497 -14.031
    2   2H    LYS   1          2H        LYS   1  11.824   0.922 -14.018
    3   3H    LYS   1          3H        LYS   1  10.640   2.093 -13.687
    4    HA   LYS   1           HA       LYS   1  10.751  -0.285 -11.964
    5   1HB   LYS   1          2HB       LYS   1  13.012   1.229 -12.608
    6   2HB   LYS   1          1HB       LYS   1  12.454   1.917 -11.084
    7   1HG   LYS   1          2HG       LYS   1  12.739  -0.075  -9.918
    8   2HG   LYS   1          1HG       LYS   1  12.571  -1.065 -11.368
    9   1HD   LYS   1          2HD       LYS   1  14.933   0.737 -10.756
   10   2HD   LYS   1          1HD       LYS   1  14.917  -1.017 -10.560
   11   1HE   LYS   1          2HE       LYS   1  14.210  -1.077 -13.068
   12   2HE   LYS   1          1HE       LYS   1  14.822   0.588 -13.114
   13   1HZ   LYS   1          1HZ       LYS   1  16.406  -1.523 -11.806
   14   2HZ   LYS   1          2HZ       LYS   1  16.931  -0.066 -12.506
   15   3HZ   LYS   1          3HZ       LYS   1  16.461  -1.366 -13.494
   16    H    LEU   2           H        LEU   2   8.566   0.280 -11.419
   17    HA   LEU   2           HA       LEU   2   7.664   2.927 -10.794
   18   1HB   LEU   2          2HB       LEU   2   6.757   0.165 -10.705
   19   2HB   LEU   2          1HB       LEU   2   6.178   1.063  -9.301
   20    HG   LEU   2           HG       LEU   2   5.200   2.768 -10.715
   21   1HD1  LEU   2          1HD1      LEU   2   7.151   1.938 -12.546
   22   2HD1  LEU   2          2HD1      LEU   2   5.912   3.161 -12.821
   23   3HD1  LEU   2          3HD1      LEU   2   5.620   1.488 -13.296
   24   1HD2  LEU   2          1HD2      LEU   2   3.644   1.031 -10.460
   25   2HD2  LEU   2          2HD2      LEU   2   4.606  -0.102 -11.409
   26   3HD2  LEU   2          3HD2      LEU   2   3.727   1.199 -12.214
   27    H    LYS   3           H        LYS   3   7.327   3.885  -8.688
   28    HA   LYS   3           HA       LYS   3   9.323   3.003  -6.659
   29   1HB   LYS   3          2HB       LYS   3   8.580   5.441  -7.785
   30   2HB   LYS   3          1HB       LYS   3   7.838   5.479  -6.185
   31   1HG   LYS   3          2HG       LYS   3   9.845   5.592  -5.118
   32   2HG   LYS   3          1HG       LYS   3  10.603   4.445  -6.224
   33   1HD   LYS   3          2HD       LYS   3  11.592   6.151  -7.304
   34   2HD   LYS   3          1HD       LYS   3  10.005   6.804  -7.710
   35   1HE   LYS   3          2HE       LYS   3   9.925   8.059  -5.620
   36   2HE   LYS   3          1HE       LYS   3  11.452   7.324  -5.088
   37   1HZ   LYS   3          1HZ       LYS   3  12.589   8.277  -6.931
   38   2HZ   LYS   3          2HZ       LYS   3  11.722   9.531  -6.183
   39   3HZ   LYS   3          3HZ       LYS   3  11.146   8.838  -7.623
   40    H    LEU   4           H        LEU   4   6.999   1.383  -6.813
   41    HA   LEU   4           HA       LEU   4   5.375   2.247  -4.445
   42   1HB   LEU   4          2HB       LEU   4   4.910   0.332  -6.751
   43   2HB   LEU   4          1HB       LEU   4   3.796   0.497  -5.394
   44    HG   LEU   4           HG       LEU   4   4.677   2.931  -6.924
   45   1HD1  LEU   4          1HD1      LEU   4   2.368   1.099  -7.648
   46   2HD1  LEU   4          2HD1      LEU   4   3.844   1.299  -8.593
   47   3HD1  LEU   4          3HD1      LEU   4   2.729   2.653  -8.402
   48   1HD2  LEU   4          1HD2      LEU   4   2.579   3.819  -6.095
   49   2HD2  LEU   4          2HD2      LEU   4   3.417   3.060  -4.741
   50   3HD2  LEU   4          3HD2      LEU   4   2.078   2.225  -5.528
   51    H    PHE   5           H        PHE   5   8.062   0.526  -4.994
   52    HA   PHE   5           HA       PHE   5   7.814  -2.084  -4.105
   53   1HB   PHE   5          2HB       PHE   5   9.813   0.080  -3.978
   54   2HB   PHE   5          1HB       PHE   5  10.071  -1.233  -2.829
   55    HD1  PHE   5           HD1      PHE   5   9.031  -0.819  -6.415
   56    HD2  PHE   5           HD2      PHE   5  11.369  -3.012  -3.557
   57    HE1  PHE   5           HE1      PHE   5   9.921  -2.245  -8.238
   58    HE2  PHE   5           HE2      PHE   5  12.259  -4.439  -5.379
   59    HZ   PHE   5           HZ       PHE   5  11.535  -4.055  -7.720
   60    H    LYS   6           H        LYS   6   8.106   0.763  -2.039
   61    HA   LYS   6           HA       LYS   6   7.671  -0.808   0.402
   62   1HB   LYS   6          2HB       LYS   6   7.730   2.195   0.010
   63   2HB   LYS   6          1HB       LYS   6   8.110   1.297   1.482
   64   1HG   LYS   6          2HG       LYS   6   9.822   0.155  -0.348
   65   2HG   LYS   6          1HG       LYS   6   9.796   1.840  -0.867
   66   1HD   LYS   6          2HD       LYS   6  10.941   2.534   0.958
   67   2HD   LYS   6          1HD       LYS   6   9.980   1.532   2.046
   68   1HE   LYS   6          2HE       LYS   6  12.101   0.353   0.229
   69   2HE   LYS   6          1HE       LYS   6  12.452   0.895   1.883
   70   1HZ   LYS   6          1HZ       LYS   6  11.816  -1.376   2.022
   71   2HZ   LYS   6          2HZ       LYS   6  10.454  -1.130   1.037
   72   3HZ   LYS   6          3HZ       LYS   6  10.507  -0.468   2.600
   73    H    LYS   7           H        LYS   7   5.656   0.795  -1.897
   74    HA   LYS   7           HA       LYS   7   3.484   1.376  -0.001
   75   1HB   LYS   7          2HB       LYS   7   4.021   2.760  -1.998
   76   2HB   LYS   7          1HB       LYS   7   3.615   1.390  -3.033
   77   1HG   LYS   7          2HG       LYS   7   1.389   1.725  -2.795
   78   2HG   LYS   7          1HG       LYS   7   1.534   2.010  -1.060
   79   1HD   LYS   7          2HD       LYS   7   2.762   4.236  -2.195
   80   2HD   LYS   7          1HD       LYS   7   1.375   3.943  -3.244
   81   1HE   LYS   7          2HE       LYS   7   0.582   3.608  -0.480
   82   2HE   LYS   7          1HE       LYS   7   1.340   5.195  -0.706
   83   1HZ   LYS   7          1HZ       LYS   7  -1.202   4.554  -1.433
   84   2HZ   LYS   7          2HZ       LYS   7  -0.354   4.428  -2.898
   85   3HZ   LYS   7          3HZ       LYS   7  -0.318   5.878  -2.015
   86    H    ILE   8           H        ILE   8   4.620  -1.483  -1.118
   87    HA   ILE   8           HA       ILE   8   2.179  -2.748  -2.095
   88    HB   ILE   8           HB       ILE   8   4.819  -3.797  -1.027
   89   1HG1  ILE   8          2HG1      ILE   8   4.741  -2.283  -3.115
   90   2HG1  ILE   8          1HG1      ILE   8   5.545  -3.841  -3.285
   91   1HG2  ILE   8          1HG2      ILE   8   3.749  -5.644  -2.820
   92   2HG2  ILE   8          2HG2      ILE   8   2.364  -5.149  -1.847
   93   3HG2  ILE   8          3HG2      ILE   8   3.798  -5.813  -1.065
   94   1HD1  ILE   8          1HD1      ILE   8   3.563  -2.922  -4.950
   95   2HD1  ILE   8          2HD1      ILE   8   2.650  -3.922  -3.821
   96   3HD1  ILE   8          3HD1      ILE   8   3.983  -4.622  -4.739
   97    H    GLY   9           H        GLY   9   4.027  -2.930   0.970
   98   1HA   GLY   9          2HA       GLY   9   2.322  -4.696   2.355
   99   2HA   GLY   9          1HA       GLY   9   3.306  -3.460   3.139
  100    H    ILE  10           H        ILE  10   1.878  -1.320   1.562
  101    HA   ILE  10           HA       ILE  10  -0.570  -1.232   3.286
  102    HB   ILE  10           HB       ILE  10   1.015   0.969   1.919
  103   1HG1  ILE  10          2HG1      ILE  10   1.542   1.380   4.480
  104   2HG1  ILE  10          1HG1      ILE  10   1.185  -0.343   4.614
  105   1HG2  ILE  10          1HG2      ILE  10  -0.388   1.994   4.097
  106   2HG2  ILE  10          2HG2      ILE  10  -1.532   0.880   3.348
  107   3HG2  ILE  10          3HG2      ILE  10  -0.826   2.189   2.400
  108   1HD1  ILE  10          1HD1      ILE  10   3.597   0.864   3.721
  109   2HD1  ILE  10          2HD1      ILE  10   2.861   0.085   2.321
  110   3HD1  ILE  10          3HD1      ILE  10   3.205  -0.855   3.772
  111    H    GLY  11           H        GLY  11  -0.776  -2.723   0.900
  112   1HA   GLY  11          2HA       GLY  11  -1.999  -0.918  -1.105
  113   2HA   GLY  11          1HA       GLY  11  -1.695  -2.643  -1.322
  114    H    LYS  12           H        LYS  12  -2.922  -3.711   0.934
  115    HA   LYS  12           HA       LYS  12  -5.639  -3.910   0.186
  116   1HB   LYS  12          2HB       LYS  12  -3.850  -4.788   2.269
  117   2HB   LYS  12          1HB       LYS  12  -5.398  -4.339   2.985
  118   1HG   LYS  12          2HG       LYS  12  -6.095  -5.736   0.666
  119   2HG   LYS  12          1HG       LYS  12  -4.737  -6.645   1.331
  120   1HD   LYS  12          2HD       LYS  12  -6.908  -7.419   2.256
  121   2HD   LYS  12          1HD       LYS  12  -5.851  -6.767   3.509
  122   1HE   LYS  12          2HE       LYS  12  -7.224  -4.516   2.647
  123   2HE   LYS  12          1HE       LYS  12  -8.462  -5.785   2.595
  124   1HZ   LYS  12          1HZ       LYS  12  -8.324  -6.150   4.806
  125   2HZ   LYS  12          2HZ       LYS  12  -7.762  -4.547   4.841
  126   3HZ   LYS  12          3HZ       LYS  12  -6.658  -5.837   4.878
  127    H    PHE  13           H        PHE  13  -4.013  -1.570   2.245
  128    HA   PHE  13           HA       PHE  13  -6.237  -0.461   3.631
  129   1HB   PHE  13          2HB       PHE  13  -3.479  -0.001   3.225
  130   2HB   PHE  13          1HB       PHE  13  -4.281   1.510   2.803
  131    HD1  PHE  13           HD1      PHE  13  -4.466  -1.172   5.430
  132    HD2  PHE  13           HD2      PHE  13  -4.737   3.017   4.515
  133    HE1  PHE  13           HE1      PHE  13  -4.801  -0.667   7.837
  134    HE2  PHE  13           HE2      PHE  13  -5.071   3.521   6.919
  135    HZ   PHE  13           HZ       PHE  13  -5.103   1.679   8.580
  136    H    LEU  14           H        LEU  14  -5.134  -0.088   0.321
  137    HA   LEU  14           HA       LEU  14  -6.685   2.297  -0.280
  138   1HB   LEU  14          2HB       LEU  14  -5.315   0.131  -1.895
  139   2HB   LEU  14          1HB       LEU  14  -6.121   1.505  -2.652
  140    HG   LEU  14           HG       LEU  14  -3.808   2.103  -2.439
  141   1HD1  LEU  14          1HD1      LEU  14  -4.785   3.478   0.004
  142   2HD1  LEU  14          2HD1      LEU  14  -5.804   3.623  -1.428
  143   3HD1  LEU  14          3HD1      LEU  14  -4.123   4.158  -1.484
  144   1HD2  LEU  14          1HD2      LEU  14  -2.514   1.817  -0.467
  145   2HD2  LEU  14          2HD2      LEU  14  -3.439   0.322  -0.607
  146   3HD2  LEU  14          3HD2      LEU  14  -3.946   1.568   0.532
  147    H    HIS  15           H        HIS  15  -7.082  -1.115  -1.334
  148    HA   HIS  15           HA       HIS  15  -9.594  -0.930  -2.535
  149   1HB   HIS  15          2HB       HIS  15  -7.954  -2.891  -2.264
  150   2HB   HIS  15          1HB       HIS  15  -8.741  -3.178  -0.715
  151    HD1  HIS  15           HD1      HIS  15 -10.981  -1.872  -3.332
  152    HD2  HIS  15           HD2      HIS  15  -9.778  -5.626  -1.973
  153    HE1  HIS  15           HE1      HIS  15 -12.635  -3.540  -4.276
  154    H    SER  16           H        SER  16  -9.087  -2.047   0.770
  155    HA   SER  16           HA       SER  16 -11.702  -1.999   1.714
  156   1HB   SER  16          2HB       SER  16 -10.547  -1.464   3.947
  157   2HB   SER  16          1HB       SER  16  -9.936  -2.863   3.068
  158    HG   SER  16           HG       SER  16  -8.115  -1.801   3.361
  159    H    ALA  17           H        ALA  17  -9.651   0.676   0.955
  160    HA   ALA  17           HA       ALA  17 -11.362   2.660   2.326
  161   1HB   ALA  17          1HB       ALA  17  -9.000   2.982   0.443
  162   2HB   ALA  17          2HB       ALA  17  -8.856   2.792   2.191
  163   3HB   ALA  17          3HB       ALA  17  -9.655   4.216   1.521
  164    H    LYS  18           H        LYS  18 -10.901   1.252  -0.841
  165    HA   LYS  18           HA       LYS  18 -12.322   3.345  -2.309
  166   1HB   LYS  18          2HB       LYS  18 -10.528   1.756  -3.167
  167   2HB   LYS  18          1HB       LYS  18 -11.735   0.472  -3.088
  168   1HG   LYS  18          2HG       LYS  18 -13.199   1.766  -4.610
  169   2HG   LYS  18          1HG       LYS  18 -11.967   3.024  -4.709
  170   1HD   LYS  18          2HD       LYS  18 -11.402   1.794  -6.584
  171   2HD   LYS  18          1HD       LYS  18 -10.421   0.959  -5.378
  172   1HE   LYS  18          2HE       LYS  18 -11.946  -0.852  -5.218
  173   2HE   LYS  18          1HE       LYS  18 -13.250   0.072  -5.989
  174   1HZ   LYS  18          1HZ       LYS  18 -11.292   0.255  -7.814
  175   2HZ   LYS  18          2HZ       LYS  18 -12.521  -0.918  -7.857
  176   3HZ   LYS  18          3HZ       LYS  18 -11.003  -1.300  -7.199
  177    H    LYS  19           H        LYS  19 -13.303   0.981  -0.157
  178    HA   LYS  19           HA       LYS  19 -15.969   0.632  -1.483
  179   1HB   LYS  19          2HB       LYS  19 -14.711  -0.936   0.789
  180   2HB   LYS  19          1HB       LYS  19 -16.111  -1.401  -0.180
  181   1HG   LYS  19          2HG       LYS  19 -13.366  -0.941  -1.368
  182   2HG   LYS  19          1HG       LYS  19 -13.929  -2.524  -0.831
  183   1HD   LYS  19          2HD       LYS  19 -15.938  -1.244  -2.480
  184   2HD   LYS  19          1HD       LYS  19 -14.397  -1.331  -3.336
  185   1HE   LYS  19          2HE       LYS  19 -14.337  -3.806  -2.469
  186   2HE   LYS  19          1HE       LYS  19 -16.086  -3.585  -2.265
  187   1HZ   LYS  19          1HZ       LYS  19 -14.540  -3.765  -4.687
  188   2HZ   LYS  19          2HZ       LYS  19 -15.585  -2.425  -4.664
  189   3HZ   LYS  19          3HZ       LYS  19 -16.203  -3.993  -4.448
  190    H    PHE  20           H        PHE  20 -14.337   1.454   1.570
  191    HA   PHE  20           HA       PHE  20 -16.863   2.786   2.474
  192   1HB   PHE  20          2HB       PHE  20 -15.557   0.469   3.518
  193   2HB   PHE  20          1HB       PHE  20 -15.326   1.774   4.682
  194    HD1  PHE  20           HD1      PHE  20 -18.160   1.128   2.325
  195    HD2  PHE  20           HD2      PHE  20 -16.868   1.372   6.414
  196    HE1  PHE  20           HE1      PHE  20 -20.507   0.875   3.080
  197    HE2  PHE  20           HE2      PHE  20 -19.218   1.120   7.170
  198    HZ   PHE  20           HZ       PHE  20 -21.037   0.871   5.503
  199   1HN   NH2  21          1HN       NH2  21 -13.628   3.159   1.667
  200   2HN   NH2  21          2HN       NH2  21 -13.254   4.509   2.615
  Start of MODEL    3
    1   1H    LYS   1          1H        LYS   1  14.184  -1.663  -2.228
    2   2H    LYS   1          2H        LYS   1  14.120  -3.327  -2.567
    3   3H    LYS   1          3H        LYS   1  15.538  -2.446  -2.885
    4    HA   LYS   1           HA       LYS   1  15.150  -3.904  -0.659
    5   1HB   LYS   1          2HB       LYS   1  17.103  -2.545   0.130
    6   2HB   LYS   1          1HB       LYS   1  17.246  -3.018  -1.564
    7   1HG   LYS   1          2HG       LYS   1  17.028  -0.876  -2.317
    8   2HG   LYS   1          1HG       LYS   1  15.848  -0.455  -1.075
    9   1HD   LYS   1          2HD       LYS   1  17.938   0.782  -0.711
   10   2HD   LYS   1          1HD       LYS   1  17.666  -0.360   0.606
   11   1HE   LYS   1          2HE       LYS   1  19.808  -1.036   0.170
   12   2HE   LYS   1          1HE       LYS   1  19.087  -1.891  -1.207
   13   1HZ   LYS   1          1HZ       LYS   1  20.305   0.806  -1.160
   14   2HZ   LYS   1          2HZ       LYS   1  19.243   0.332  -2.396
   15   3HZ   LYS   1          3HZ       LYS   1  20.700  -0.507  -2.159
   16    H    LEU   2           H        LEU   2  12.803  -3.160  -0.103
   17    HA   LEU   2           HA       LEU   2  12.830  -0.739   1.664
   18   1HB   LEU   2          2HB       LEU   2  10.573  -2.322   0.389
   19   2HB   LEU   2          1HB       LEU   2  10.373  -0.847   1.334
   20    HG   LEU   2           HG       LEU   2  12.354  -0.433  -0.731
   21   1HD1  LEU   2          1HD1      LEU   2  10.032  -2.043  -1.467
   22   2HD1  LEU   2          2HD1      LEU   2  11.464  -1.646  -2.417
   23   3HD1  LEU   2          3HD1      LEU   2  10.099  -0.529  -2.368
   24   1HD2  LEU   2          1HD2      LEU   2   9.575   0.722  -0.321
   25   2HD2  LEU   2          2HD2      LEU   2  10.874   1.447  -1.267
   26   3HD2  LEU   2          3HD2      LEU   2  11.035   1.302   0.482
   27    H    LYS   3           H        LYS   3  12.991  -1.227   3.829
   28    HA   LYS   3           HA       LYS   3  11.784  -3.810   4.772
   29   1HB   LYS   3          2HB       LYS   3  14.395  -3.332   4.679
   30   2HB   LYS   3          1HB       LYS   3  14.063  -2.455   6.174
   31   1HG   LYS   3          2HG       LYS   3  12.880  -4.530   7.018
   32   2HG   LYS   3          1HG       LYS   3  13.496  -5.375   5.598
   33   1HD   LYS   3          2HD       LYS   3  15.672  -3.960   6.795
   34   2HD   LYS   3          1HD       LYS   3  14.843  -4.867   8.060
   35   1HE   LYS   3          2HE       LYS   3  16.564  -6.290   7.022
   36   2HE   LYS   3          1HE       LYS   3  14.956  -6.910   6.597
   37   1HZ   LYS   3          1HZ       LYS   3  16.082  -6.752   4.564
   38   2HZ   LYS   3          2HZ       LYS   3  16.769  -5.247   4.950
   39   3HZ   LYS   3          3HZ       LYS   3  15.109  -5.365   4.611
   40    H    LEU   4           H        LEU   4  11.216  -0.603   4.781
   41    HA   LEU   4           HA       LEU   4   9.903  -0.715   7.455
   42   1HB   LEU   4          2HB       LEU   4  11.892   1.347   6.461
   43   2HB   LEU   4          1HB       LEU   4  10.862   1.601   7.869
   44    HG   LEU   4           HG       LEU   4  11.869  -0.819   8.501
   45   1HD1  LEU   4          1HD1      LEU   4  13.261  -0.522   6.282
   46   2HD1  LEU   4          2HD1      LEU   4  14.041  -1.177   7.722
   47   3HD1  LEU   4          3HD1      LEU   4  14.269   0.518   7.286
   48   1HD2  LEU   4          1HD2      LEU   4  12.149   0.755  10.156
   49   2HD2  LEU   4          2HD2      LEU   4  12.714   1.990   9.031
   50   3HD2  LEU   4          3HD2      LEU   4  13.810   0.716   9.565
   51    H    PHE   5           H        PHE   5   8.548  -0.926   5.019
   52    HA   PHE   5           HA       PHE   5   6.859   1.452   5.097
   53   1HB   PHE   5          2HB       PHE   5   9.135   1.528   3.528
   54   2HB   PHE   5          1HB       PHE   5   7.874   1.075   2.380
   55    HD1  PHE   5           HD1      PHE   5   5.548   2.426   2.853
   56    HD2  PHE   5           HD2      PHE   5   9.510   3.806   3.767
   57    HE1  PHE   5           HE1      PHE   5   4.739   4.770   2.816
   58    HE2  PHE   5           HE2      PHE   5   8.702   6.149   3.729
   59    HZ   PHE   5           HZ       PHE   5   6.317   6.631   3.255
   60    H    LYS   6           H        LYS   6   7.778  -1.308   3.103
   61    HA   LYS   6           HA       LYS   6   5.009  -1.712   2.186
   62   1HB   LYS   6          2HB       LYS   6   7.347  -2.042   0.992
   63   2HB   LYS   6          1HB       LYS   6   7.272  -3.632   1.750
   64   1HG   LYS   6          2HG       LYS   6   4.805  -3.608   0.764
   65   2HG   LYS   6          1HG       LYS   6   5.518  -2.460  -0.370
   66   1HD   LYS   6          2HD       LYS   6   5.846  -4.561  -1.406
   67   2HD   LYS   6          1HD       LYS   6   7.403  -4.209  -0.654
   68   1HE   LYS   6          2HE       LYS   6   5.655  -5.549   1.239
   69   2HE   LYS   6          1HE       LYS   6   5.844  -6.514  -0.237
   70   1HZ   LYS   6          1HZ       LYS   6   8.049  -5.273   1.326
   71   2HZ   LYS   6          2HZ       LYS   6   8.239  -6.149  -0.116
   72   3HZ   LYS   6          3HZ       LYS   6   7.676  -6.927   1.285
   73    H    LYS   7           H        LYS   7   7.163  -2.998   4.629
   74    HA   LYS   7           HA       LYS   7   5.863  -5.517   5.076
   75   1HB   LYS   7          2HB       LYS   7   7.721  -3.670   6.513
   76   2HB   LYS   7          1HB       LYS   7   6.974  -4.970   7.444
   77   1HG   LYS   7          2HG       LYS   7   8.129  -5.687   4.790
   78   2HG   LYS   7          1HG       LYS   7   9.261  -5.333   6.095
   79   1HD   LYS   7          2HD       LYS   7   7.011  -7.364   6.190
   80   2HD   LYS   7          1HD       LYS   7   8.734  -7.726   6.083
   81   1HE   LYS   7          2HE       LYS   7   8.550  -6.008   8.282
   82   2HE   LYS   7          1HE       LYS   7   7.148  -7.084   8.444
   83   1HZ   LYS   7          1HZ       LYS   7   9.133  -8.100   9.394
   84   2HZ   LYS   7          2HZ       LYS   7   9.940  -7.951   7.906
   85   3HZ   LYS   7          3HZ       LYS   7   8.594  -8.977   8.046
   86    H    ILE   8           H        ILE   8   4.735  -2.378   5.583
   87    HA   ILE   8           HA       ILE   8   3.179  -2.915   8.011
   88    HB   ILE   8           HB       ILE   8   3.194  -0.689   5.952
   89   1HG1  ILE   8          2HG1      ILE   8   5.272  -1.230   7.412
   90   2HG1  ILE   8          1HG1      ILE   8   4.692   0.432   7.393
   91   1HG2  ILE   8          1HG2      ILE   8   1.970  -0.742   8.728
   92   2HG2  ILE   8          2HG2      ILE   8   1.053  -0.865   7.226
   93   3HG2  ILE   8          3HG2      ILE   8   1.945   0.611   7.596
   94   1HD1  ILE   8          1HD1      ILE   8   5.222  -0.767   9.689
   95   2HD1  ILE   8          2HD1      ILE   8   3.614  -1.455   9.462
   96   3HD1  ILE   8          3HD1      ILE   8   3.821   0.295   9.548
   97    H    GLY   9           H        GLY   9   2.633  -2.952   4.514
   98   1HA   GLY   9          2HA       GLY   9   0.893  -4.140   3.398
   99   2HA   GLY   9          1HA       GLY   9   0.105  -4.394   4.956
  100    H    ILE  10           H        ILE  10   1.016  -1.583   2.918
  101    HA   ILE  10           HA       ILE  10  -1.477  -0.205   3.768
  102    HB   ILE  10           HB       ILE  10   1.016   0.576   2.223
  103   1HG1  ILE  10          2HG1      ILE  10   0.562   2.163   4.525
  104   2HG1  ILE  10          1HG1      ILE  10   0.274   0.492   5.007
  105   1HG2  ILE  10          1HG2      ILE  10   0.195   2.778   1.999
  106   2HG2  ILE  10          2HG2      ILE  10  -1.118   2.501   3.145
  107   3HG2  ILE  10          3HG2      ILE  10  -1.179   1.773   1.540
  108   1HD1  ILE  10          1HD1      ILE  10   2.642   1.022   5.301
  109   2HD1  ILE  10          2HD1      ILE  10   2.755   1.552   3.622
  110   3HD1  ILE  10          3HD1      ILE  10   2.458  -0.147   3.993
  111    H    GLY  11           H        GLY  11  -0.347  -2.157   1.202
  112   1HA   GLY  11          2HA       GLY  11  -1.615  -0.997  -1.059
  113   2HA   GLY  11          1HA       GLY  11  -1.290  -2.720  -0.871
  114    H    LYS  12           H        LYS  12  -2.878  -3.797   0.789
  115    HA   LYS  12           HA       LYS  12  -5.480  -3.834  -0.233
  116   1HB   LYS  12          2HB       LYS  12  -3.979  -4.974   1.869
  117   2HB   LYS  12          1HB       LYS  12  -5.449  -4.346   2.614
  118   1HG   LYS  12          2HG       LYS  12  -6.770  -5.877   1.580
  119   2HG   LYS  12          1HG       LYS  12  -5.895  -5.736   0.055
  120   1HD   LYS  12          2HD       LYS  12  -4.990  -7.290   2.496
  121   2HD   LYS  12          1HD       LYS  12  -5.575  -7.978   0.980
  122   1HE   LYS  12          2HE       LYS  12  -3.586  -6.320   0.071
  123   2HE   LYS  12          1HE       LYS  12  -2.916  -6.868   1.622
  124   1HZ   LYS  12          1HZ       LYS  12  -3.920  -8.529  -0.619
  125   2HZ   LYS  12          2HZ       LYS  12  -3.699  -9.153   0.946
  126   3HZ   LYS  12          3HZ       LYS  12  -2.373  -8.543   0.077
  127    H    PHE  13           H        PHE  13  -4.128  -1.662   2.209
  128    HA   PHE  13           HA       PHE  13  -6.431  -0.610   3.409
  129   1HB   PHE  13          2HB       PHE  13  -3.671   0.121   2.928
  130   2HB   PHE  13          1HB       PHE  13  -4.699   1.549   2.838
  131    HD1  PHE  13           HD1      PHE  13  -2.966  -0.645   5.012
  132    HD2  PHE  13           HD2      PHE  13  -6.509   1.768   4.747
  133    HE1  PHE  13           HE1      PHE  13  -3.126  -0.608   7.486
  134    HE2  PHE  13           HE2      PHE  13  -6.670   1.804   7.223
  135    HZ   PHE  13           HZ       PHE  13  -4.976   0.618   8.593
  136    H    LEU  14           H        LEU  14  -5.267  -0.245   0.138
  137    HA   LEU  14           HA       LEU  14  -6.796   2.101  -0.582
  138   1HB   LEU  14          2HB       LEU  14  -4.777   0.876  -1.706
  139   2HB   LEU  14          1HB       LEU  14  -6.020  -0.123  -2.461
  140    HG   LEU  14           HG       LEU  14  -5.560   1.708  -3.965
  141   1HD1  LEU  14          1HD1      LEU  14  -7.979   1.041  -3.476
  142   2HD1  LEU  14          2HD1      LEU  14  -7.751   2.633  -4.199
  143   3HD1  LEU  14          3HD1      LEU  14  -8.072   2.488  -2.471
  144   1HD2  LEU  14          1HD2      LEU  14  -4.672   3.126  -1.936
  145   2HD2  LEU  14          2HD2      LEU  14  -6.333   3.710  -1.858
  146   3HD2  LEU  14          3HD2      LEU  14  -5.383   3.953  -3.323
  147    H    HIS  15           H        HIS  15  -7.394  -1.410  -1.022
  148    HA   HIS  15           HA       HIS  15  -9.886  -1.225  -2.338
  149   1HB   HIS  15          2HB       HIS  15  -8.282  -3.207  -1.748
  150   2HB   HIS  15          1HB       HIS  15  -9.244  -3.310  -0.278
  151    HD1  HIS  15           HD1      HIS  15 -11.002  -2.232  -3.382
  152    HD2  HIS  15           HD2      HIS  15 -10.364  -5.777  -1.287
  153    HE1  HIS  15           HE1      HIS  15 -12.624  -3.927  -4.334
  154    H    SER  16           H        SER  16  -9.445  -2.006   1.079
  155    HA   SER  16           HA       SER  16 -12.045  -1.680   1.996
  156   1HB   SER  16          2HB       SER  16 -10.339  -0.515   3.932
  157   2HB   SER  16          1HB       SER  16 -10.870  -2.192   3.854
  158    HG   SER  16           HG       SER  16  -8.463  -1.049   3.174
  159    H    ALA  17           H        ALA  17  -9.619   0.818   1.523
  160    HA   ALA  17           HA       ALA  17 -11.224   3.035   2.431
  161   1HB   ALA  17          1HB       ALA  17  -8.838   3.238   2.325
  162   2HB   ALA  17          2HB       ALA  17  -9.459   4.297   1.059
  163   3HB   ALA  17          3HB       ALA  17  -8.802   2.716   0.641
  164    H    LYS  18           H        LYS  18 -10.590   1.619  -0.784
  165    HA   LYS  18           HA       LYS  18 -12.271   3.539  -2.185
  166   1HB   LYS  18          2HB       LYS  18 -10.267   2.084  -2.991
  167   2HB   LYS  18          1HB       LYS  18 -11.468   0.802  -3.162
  168   1HG   LYS  18          2HG       LYS  18 -11.365   1.885  -5.292
  169   2HG   LYS  18          1HG       LYS  18 -12.848   2.459  -4.526
  170   1HD   LYS  18          2HD       LYS  18 -10.413   4.043  -3.936
  171   2HD   LYS  18          1HD       LYS  18 -10.987   4.122  -5.603
  172   1HE   LYS  18          2HE       LYS  18 -12.622   5.551  -4.963
  173   2HE   LYS  18          1HE       LYS  18 -13.259   4.323  -3.850
  174   1HZ   LYS  18          1HZ       LYS  18 -11.132   5.019  -2.499
  175   2HZ   LYS  18          2HZ       LYS  18 -12.587   5.882  -2.346
  176   3HZ   LYS  18          3HZ       LYS  18 -11.341   6.479  -3.335
  177    H    LYS  19           H        LYS  19 -12.887   0.831  -0.256
  178    HA   LYS  19           HA       LYS  19 -15.465   0.171  -1.593
  179   1HB   LYS  19          2HB       LYS  19 -13.886  -1.615  -0.904
  180   2HB   LYS  19          1HB       LYS  19 -13.975  -1.043   0.761
  181   1HG   LYS  19          2HG       LYS  19 -16.514  -1.403   0.576
  182   2HG   LYS  19          1HG       LYS  19 -16.158  -2.316  -0.891
  183   1HD   LYS  19          2HD       LYS  19 -15.049  -4.003   0.259
  184   2HD   LYS  19          1HD       LYS  19 -14.623  -2.946   1.605
  185   1HE   LYS  19          2HE       LYS  19 -16.330  -4.257   2.551
  186   2HE   LYS  19          1HE       LYS  19 -17.248  -2.855   1.966
  187   1HZ   LYS  19          1HZ       LYS  19 -18.381  -4.298   0.718
  188   2HZ   LYS  19          2HZ       LYS  19 -17.290  -5.562   1.028
  189   3HZ   LYS  19          3HZ       LYS  19 -16.985  -4.462  -0.231
  190    H    PHE  20           H        PHE  20 -14.253   2.228   0.806
  191    HA   PHE  20           HA       PHE  20 -16.973   2.493   2.026
  192   1HB   PHE  20          2HB       PHE  20 -14.728   1.400   3.229
  193   2HB   PHE  20          1HB       PHE  20 -14.684   3.078   3.773
  194    HD1  PHE  20           HD1      PHE  20 -16.148  -0.129   4.287
  195    HD2  PHE  20           HD2      PHE  20 -16.925   4.078   4.659
  196    HE1  PHE  20           HE1      PHE  20 -17.962  -0.608   5.907
  197    HE2  PHE  20           HE2      PHE  20 -18.741   3.602   6.280
  198    HZ   PHE  20           HZ       PHE  20 -19.258   1.257   6.906
  199   1HN   NH2  21          1HN       NH2  21 -14.522   3.983   0.284
  200   2HN   NH2  21          2HN       NH2  21 -14.792   5.591   0.736
  Start of MODEL    4
    1   1H    LYS   1          1H        LYS   1   8.727 -18.132  10.410
    2   2H    LYS   1          2H        LYS   1   8.178 -19.564  11.142
    3   3H    LYS   1          3H        LYS   1   8.636 -18.239  12.099
    4    HA   LYS   1           HA       LYS   1   6.083 -18.833  11.177
    5   1HB   LYS   1          2HB       LYS   1   7.395 -17.373  13.117
    6   2HB   LYS   1          1HB       LYS   1   6.666 -16.103  12.134
    7   1HG   LYS   1          2HG       LYS   1   4.571 -16.624  12.822
    8   2HG   LYS   1          1HG       LYS   1   4.854 -18.355  12.646
    9   1HD   LYS   1          2HD       LYS   1   5.594 -18.598  14.817
   10   2HD   LYS   1          1HD       LYS   1   6.239 -16.958  14.891
   11   1HE   LYS   1          2HE       LYS   1   4.311 -16.164  15.782
   12   2HE   LYS   1          1HE       LYS   1   3.337 -16.957  14.527
   13   1HZ   LYS   1          1HZ       LYS   1   4.527 -18.276  16.911
   14   2HZ   LYS   1          2HZ       LYS   1   3.660 -19.068  15.684
   15   3HZ   LYS   1          3HZ       LYS   1   2.881 -17.936  16.684
   16    H    LEU   2           H        LEU   2   5.324 -18.501   9.116
   17    HA   LEU   2           HA       LEU   2   6.451 -16.416   7.382
   18   1HB   LEU   2          2HB       LEU   2   4.880 -18.850   7.198
   19   2HB   LEU   2          1HB       LEU   2   4.146 -17.567   6.235
   20    HG   LEU   2           HG       LEU   2   6.325 -17.151   5.137
   21   1HD1  LEU   2          1HD1      LEU   2   7.556 -19.646   6.047
   22   2HD1  LEU   2          2HD1      LEU   2   7.360 -18.472   7.347
   23   3HD1  LEU   2          3HD1      LEU   2   8.263 -18.038   5.895
   24   1HD2  LEU   2          1HD2      LEU   2   6.070 -18.876   3.626
   25   2HD2  LEU   2          2HD2      LEU   2   4.578 -19.100   4.538
   26   3HD2  LEU   2          3HD2      LEU   2   5.984 -20.107   4.887
   27    H    LYS   3           H        LYS   3   5.644 -14.381   7.230
   28    HA   LYS   3           HA       LYS   3   2.809 -13.871   8.059
   29   1HB   LYS   3          2HB       LYS   3   5.405 -12.774   8.990
   30   2HB   LYS   3          1HB       LYS   3   4.142 -11.574   8.714
   31   1HG   LYS   3          2HG       LYS   3   3.063 -13.887  10.090
   32   2HG   LYS   3          1HG       LYS   3   4.437 -13.225  10.976
   33   1HD   LYS   3          2HD       LYS   3   3.198 -10.920  10.373
   34   2HD   LYS   3          1HD       LYS   3   1.793 -11.987  10.380
   35   1HE   LYS   3          2HE       LYS   3   1.813 -11.578  12.640
   36   2HE   LYS   3          1HE       LYS   3   3.099 -12.803  12.658
   37   1HZ   LYS   3          1HZ       LYS   3   3.613 -10.490  13.628
   38   2HZ   LYS   3          2HZ       LYS   3   3.708  -9.990  12.006
   39   3HZ   LYS   3          3HZ       LYS   3   4.750 -11.200  12.588
   40    H    LEU   4           H        LEU   4   2.753 -14.158   5.564
   41    HA   LEU   4           HA       LEU   4   3.868 -11.940   3.983
   42   1HB   LEU   4          2HB       LEU   4   3.052 -14.610   3.611
   43   2HB   LEU   4          1HB       LEU   4   1.944 -13.636   2.646
   44    HG   LEU   4           HG       LEU   4   4.659 -12.656   2.381
   45   1HD1  LEU   4          1HD1      LEU   4   5.658 -14.720   2.579
   46   2HD1  LEU   4          2HD1      LEU   4   5.145 -14.840   0.896
   47   3HD1  LEU   4          3HD1      LEU   4   4.181 -15.592   2.167
   48   1HD2  LEU   4          1HD2      LEU   4   3.123 -12.039   0.715
   49   2HD2  LEU   4          2HD2      LEU   4   2.441 -13.661   0.607
   50   3HD2  LEU   4          3HD2      LEU   4   4.033 -13.328  -0.074
   51    H    PHE   5           H        PHE   5   1.435 -11.737   6.056
   52    HA   PHE   5           HA       PHE   5  -0.706 -10.769   4.291
   53   1HB   PHE   5          2HB       PHE   5  -0.777 -11.951   6.642
   54   2HB   PHE   5          1HB       PHE   5  -0.557 -10.312   7.249
   55    HD1  PHE   5           HD1      PHE   5  -2.704 -12.370   4.982
   56    HD2  PHE   5           HD2      PHE   5  -2.361  -8.802   7.350
   57    HE1  PHE   5           HE1      PHE   5  -5.108 -11.885   4.601
   58    HE2  PHE   5           HE2      PHE   5  -4.762  -8.318   6.968
   59    HZ   PHE   5           HZ       PHE   5  -6.136  -9.858   5.594
   60    H    LYS   6           H        LYS   6   1.366  -9.357   6.764
   61    HA   LYS   6           HA       LYS   6   0.666  -6.651   6.557
   62   1HB   LYS   6          2HB       LYS   6   3.456  -7.805   6.872
   63   2HB   LYS   6          1HB       LYS   6   2.890  -6.247   7.474
   64   1HG   LYS   6          2HG       LYS   6   1.142  -8.372   8.378
   65   2HG   LYS   6          1HG       LYS   6   2.813  -8.707   8.836
   66   1HD   LYS   6          2HD       LYS   6   2.563  -7.244  10.530
   67   2HD   LYS   6          1HD       LYS   6   2.461  -5.963   9.321
   68   1HE   LYS   6          2HE       LYS   6  -0.046  -7.495   9.707
   69   2HE   LYS   6          1HE       LYS   6   0.457  -6.502  11.089
   70   1HZ   LYS   6          1HZ       LYS   6  -0.603  -4.943   9.799
   71   2HZ   LYS   6          2HZ       LYS   6  -0.150  -5.674   8.334
   72   3HZ   LYS   6          3HZ       LYS   6   0.986  -4.782   9.229
   73    H    LYS   7           H        LYS   7   2.536  -8.609   4.320
   74    HA   LYS   7           HA       LYS   7   3.780  -6.471   2.850
   75   1HB   LYS   7          2HB       LYS   7   3.620  -9.305   2.863
   76   2HB   LYS   7          1HB       LYS   7   3.181  -8.780   1.238
   77   1HG   LYS   7          2HG       LYS   7   5.236  -7.664   0.913
   78   2HG   LYS   7          1HG       LYS   7   5.595  -7.639   2.639
   79   1HD   LYS   7          2HD       LYS   7   6.842  -9.482   2.259
   80   2HD   LYS   7          1HD       LYS   7   5.312 -10.344   2.095
   81   1HE   LYS   7          2HE       LYS   7   6.459 -10.853   0.076
   82   2HE   LYS   7          1HE       LYS   7   5.387  -9.516  -0.390
   83   1HZ   LYS   7          1HZ       LYS   7   8.133  -9.096   0.647
   84   2HZ   LYS   7          2HZ       LYS   7   7.116  -7.955  -0.093
   85   3HZ   LYS   7          3HZ       LYS   7   7.789  -9.218  -1.009
   86    H    ILE   8           H        ILE   8   0.538  -7.360   3.133
   87    HA   ILE   8           HA       ILE   8  -0.152  -6.179   0.465
   88    HB   ILE   8           HB       ILE   8  -1.836  -7.888   2.321
   89   1HG1  ILE   8          2HG1      ILE   8   0.075  -8.624   0.098
   90   2HG1  ILE   8          1HG1      ILE   8   0.013  -9.267   1.738
   91   1HG2  ILE   8          1HG2      ILE   8  -3.465  -7.608   0.791
   92   2HG2  ILE   8          2HG2      ILE   8  -2.376  -8.053  -0.523
   93   3HG2  ILE   8          3HG2      ILE   8  -2.457  -6.379   0.027
   94   1HD1  ILE   8          1HD1      ILE   8  -2.447  -9.970   0.985
   95   2HD1  ILE   8          2HD1      ILE   8  -1.052 -10.984   0.612
   96   3HD1  ILE   8          3HD1      ILE   8  -1.714  -9.907  -0.618
   97    H    GLY   9           H        GLY   9  -0.110  -5.557   3.802
   98   1HA   GLY   9          2HA       GLY   9  -2.488  -4.221   4.378
   99   2HA   GLY   9          1HA       GLY   9  -0.923  -3.706   5.007
  100    H    ILE  10           H        ILE  10   0.432  -2.694   2.956
  101    HA   ILE  10           HA       ILE  10  -0.678  -0.148   2.457
  102    HB   ILE  10           HB       ILE  10   1.356  -1.790   0.917
  103   1HG1  ILE  10          2HG1      ILE  10   1.793  -1.452   3.361
  104   2HG1  ILE  10          1HG1      ILE  10   2.987  -0.659   2.336
  105   1HG2  ILE  10          1HG2      ILE  10   0.356   0.299  -0.223
  106   2HG2  ILE  10          2HG2      ILE  10   2.111   0.223  -0.081
  107   3HG2  ILE  10          3HG2      ILE  10   1.179   1.223   1.033
  108   1HD1  ILE  10          1HD1      ILE  10   0.722   1.088   2.829
  109   2HD1  ILE  10          2HD1      ILE  10   2.435   1.374   3.137
  110   3HD1  ILE  10          3HD1      ILE  10   1.447   0.551   4.344
  111    H    GLY  11           H        GLY  11  -1.316  -3.177   0.871
  112   1HA   GLY  11          2HA       GLY  11  -2.418  -1.868  -1.536
  113   2HA   GLY  11          1HA       GLY  11  -2.340  -3.606  -1.249
  114    H    LYS  12           H        LYS  12  -3.634  -3.963   1.094
  115    HA   LYS  12           HA       LYS  12  -6.397  -3.823   0.416
  116   1HB   LYS  12          2HB       LYS  12  -4.658  -4.767   2.510
  117   2HB   LYS  12          1HB       LYS  12  -6.081  -4.013   3.229
  118   1HG   LYS  12          2HG       LYS  12  -7.520  -5.580   2.362
  119   2HG   LYS  12          1HG       LYS  12  -6.548  -5.821   0.909
  120   1HD   LYS  12          2HD       LYS  12  -6.052  -7.799   1.973
  121   2HD   LYS  12          1HD       LYS  12  -4.817  -6.786   2.720
  122   1HE   LYS  12          2HE       LYS  12  -5.878  -7.871   4.558
  123   2HE   LYS  12          1HE       LYS  12  -6.634  -6.266   4.515
  124   1HZ   LYS  12          1HZ       LYS  12  -8.279  -8.086   4.597
  125   2HZ   LYS  12          2HZ       LYS  12  -7.689  -8.667   3.114
  126   3HZ   LYS  12          3HZ       LYS  12  -8.426  -7.139   3.199
  127    H    PHE  13           H        PHE  13  -4.312  -1.510   2.033
  128    HA   PHE  13           HA       PHE  13  -6.314  -0.015   3.436
  129   1HB   PHE  13          2HB       PHE  13  -3.503   0.221   2.588
  130   2HB   PHE  13          1HB       PHE  13  -4.328   1.772   2.752
  131    HD1  PHE  13           HD1      PHE  13  -3.496   2.650   4.782
  132    HD2  PHE  13           HD2      PHE  13  -4.929  -1.396   4.634
  133    HE1  PHE  13           HE1      PHE  13  -3.307   2.493   7.250
  134    HE2  PHE  13           HE2      PHE  13  -4.736  -1.556   7.103
  135    HZ   PHE  13           HZ       PHE  13  -3.925   0.390   8.410
  136    H    LEU  14           H        LEU  14  -4.862   0.449   0.195
  137    HA   LEU  14           HA       LEU  14  -6.515   2.724  -0.492
  138   1HB   LEU  14          2HB       LEU  14  -4.305   1.395  -1.499
  139   2HB   LEU  14          1HB       LEU  14  -5.557   0.995  -2.675
  140    HG   LEU  14           HG       LEU  14  -4.380   3.079  -3.292
  141   1HD1  LEU  14          1HD1      LEU  14  -6.353   4.446  -3.653
  142   2HD1  LEU  14          2HD1      LEU  14  -7.204   3.636  -2.339
  143   3HD1  LEU  14          3HD1      LEU  14  -6.813   2.752  -3.814
  144   1HD2  LEU  14          1HD2      LEU  14  -3.752   4.484  -1.649
  145   2HD2  LEU  14          2HD2      LEU  14  -4.716   3.590  -0.474
  146   3HD2  LEU  14          3HD2      LEU  14  -5.447   4.899  -1.404
  147    H    HIS  15           H        HIS  15  -6.964  -0.715  -0.508
  148    HA   HIS  15           HA       HIS  15  -9.237  -0.719  -2.357
  149   1HB   HIS  15          2HB       HIS  15  -7.423  -2.525  -1.820
  150   2HB   HIS  15          1HB       HIS  15  -8.457  -2.900  -0.441
  151    HD1  HIS  15           HD1      HIS  15 -10.754  -1.803  -2.873
  152    HD2  HIS  15           HD2      HIS  15  -8.560  -5.320  -2.424
  153    HE1  HIS  15           HE1      HIS  15 -11.919  -3.559  -4.278
  154    H    SER  16           H        SER  16  -8.935  -1.778   0.999
  155    HA   SER  16           HA       SER  16 -11.610  -1.901   1.718
  156   1HB   SER  16          2HB       SER  16 -10.098  -2.624   3.336
  157   2HB   SER  16          1HB       SER  16  -9.063  -1.213   3.129
  158    HG   SER  16           HG       SER  16 -11.693  -1.063   4.172
  159    H    ALA  17           H        ALA  17  -9.592   0.961   1.518
  160    HA   ALA  17           HA       ALA  17 -11.480   2.804   2.689
  161   1HB   ALA  17          1HB       ALA  17  -9.842   4.368   2.171
  162   2HB   ALA  17          2HB       ALA  17  -9.473   3.618   0.618
  163   3HB   ALA  17          3HB       ALA  17  -8.882   2.889   2.112
  164    H    LYS  18           H        LYS  18 -10.649   2.075  -0.724
  165    HA   LYS  18           HA       LYS  18 -12.846   3.754  -1.716
  166   1HB   LYS  18          2HB       LYS  18 -10.920   3.703  -3.075
  167   2HB   LYS  18          1HB       LYS  18 -10.707   1.965  -2.864
  168   1HG   LYS  18          2HG       LYS  18 -12.676   1.517  -4.236
  169   2HG   LYS  18          1HG       LYS  18 -12.997   3.245  -4.386
  170   1HD   LYS  18          2HD       LYS  18 -10.270   2.682  -5.149
  171   2HD   LYS  18          1HD       LYS  18 -11.373   1.655  -6.063
  172   1HE   LYS  18          2HE       LYS  18 -10.962   3.864  -7.184
  173   2HE   LYS  18          1HE       LYS  18 -12.670   3.632  -6.760
  174   1HZ   LYS  18          1HZ       LYS  18 -11.561   5.807  -6.042
  175   2HZ   LYS  18          2HZ       LYS  18 -10.774   4.873  -4.862
  176   3HZ   LYS  18          3HZ       LYS  18 -12.470   4.969  -4.881
  177    H    LYS  19           H        LYS  19 -12.854   0.808  -0.234
  178    HA   LYS  19           HA       LYS  19 -15.234  -0.096  -1.820
  179   1HB   LYS  19          2HB       LYS  19 -13.096  -1.341  -2.310
  180   2HB   LYS  19          1HB       LYS  19 -13.073  -1.853  -0.622
  181   1HG   LYS  19          2HG       LYS  19 -14.419  -3.565  -1.183
  182   2HG   LYS  19          1HG       LYS  19 -15.682  -2.387  -1.545
  183   1HD   LYS  19          2HD       LYS  19 -15.156  -2.336  -3.832
  184   2HD   LYS  19          1HD       LYS  19 -13.539  -2.988  -3.569
  185   1HE   LYS  19          2HE       LYS  19 -14.674  -5.138  -2.771
  186   2HE   LYS  19          1HE       LYS  19 -16.176  -4.468  -3.439
  187   1HZ   LYS  19          1HZ       LYS  19 -13.615  -4.806  -4.908
  188   2HZ   LYS  19          2HZ       LYS  19 -15.026  -4.103  -5.543
  189   3HZ   LYS  19          3HZ       LYS  19 -15.008  -5.749  -5.120
  190    H    PHE  20           H        PHE  20 -14.227   1.004   1.126
  191    HA   PHE  20           HA       PHE  20 -16.422  -0.470   2.520
  192   1HB   PHE  20          2HB       PHE  20 -13.793  -1.146   2.776
  193   2HB   PHE  20          1HB       PHE  20 -13.949   0.047   4.066
  194    HD1  PHE  20           HD1      PHE  20 -15.259  -3.167   2.752
  195    HD2  PHE  20           HD2      PHE  20 -15.262  -0.391   6.032
  196    HE1  PHE  20           HE1      PHE  20 -16.406  -4.847   4.174
  197    HE2  PHE  20           HE2      PHE  20 -16.410  -2.069   7.452
  198    HZ   PHE  20           HZ       PHE  20 -16.982  -4.297   6.524
  199   1HN   NH2  21          1HN       NH2  21 -14.982   2.506   1.759
  200   2HN   NH2  21          2HN       NH2  21 -15.633   3.439   3.010
  Start of MODEL    5
    1   1H    LYS   1          1H        LYS   1   8.436  -1.528  16.099
    2   2H    LYS   1          2H        LYS   1   9.444  -2.561  16.994
    3   3H    LYS   1          3H        LYS   1   8.153  -3.199  16.094
    4    HA   LYS   1           HA       LYS   1   9.604  -1.810  14.230
    5   1HB   LYS   1          2HB       LYS   1  11.199  -2.636  16.549
    6   2HB   LYS   1          1HB       LYS   1  11.815  -3.292  15.033
    7   1HG   LYS   1          2HG       LYS   1  11.902  -1.071  14.046
    8   2HG   LYS   1          1HG       LYS   1  11.141  -0.370  15.474
    9   1HD   LYS   1          2HD       LYS   1  13.556  -0.003  15.573
   10   2HD   LYS   1          1HD       LYS   1  13.079  -1.131  16.843
   11   1HE   LYS   1          2HE       LYS   1  13.702  -3.028  15.296
   12   2HE   LYS   1          1HE       LYS   1  14.364  -1.817  14.178
   13   1HZ   LYS   1          1HZ       LYS   1  15.393  -2.719  16.720
   14   2HZ   LYS   1          2HZ       LYS   1  15.358  -1.028  16.560
   15   3HZ   LYS   1          3HZ       LYS   1  16.202  -1.977  15.430
   16    H    LEU   2           H        LEU   2  10.323  -3.321  12.546
   17    HA   LEU   2           HA       LEU   2  10.223  -5.349  11.336
   18   1HB   LEU   2          2HB       LEU   2  11.245  -6.035  13.653
   19   2HB   LEU   2          1HB       LEU   2   9.653  -6.737  13.948
   20    HG   LEU   2           HG       LEU   2  10.247  -7.588  11.377
   21   1HD1  LEU   2          1HD1      LEU   2  12.739  -7.302  13.021
   22   2HD1  LEU   2          2HD1      LEU   2  12.516  -7.086  11.284
   23   3HD1  LEU   2          3HD1      LEU   2  12.568  -8.709  11.972
   24   1HD2  LEU   2          1HD2      LEU   2   9.249  -8.843  13.338
   25   2HD2  LEU   2          2HD2      LEU   2  10.893  -9.088  13.930
   26   3HD2  LEU   2          3HD2      LEU   2  10.402  -9.777  12.383
   27    H    LYS   3           H        LYS   3   8.392  -5.576  10.125
   28    HA   LYS   3           HA       LYS   3   5.917  -6.584  11.408
   29   1HB   LYS   3          2HB       LYS   3   6.382  -3.857  10.266
   30   2HB   LYS   3          1HB       LYS   3   4.808  -4.603   9.993
   31   1HG   LYS   3          2HG       LYS   3   4.542  -4.948  12.420
   32   2HG   LYS   3          1HG       LYS   3   6.121  -4.212  12.700
   33   1HD   LYS   3          2HD       LYS   3   4.029  -2.709  11.150
   34   2HD   LYS   3          1HD       LYS   3   3.970  -2.726  12.912
   35   1HE   LYS   3          2HE       LYS   3   6.667  -2.220  12.293
   36   2HE   LYS   3          1HE       LYS   3   5.731  -1.206  11.176
   37   1HZ   LYS   3          1HZ       LYS   3   5.796  -1.176  14.095
   38   2HZ   LYS   3          2HZ       LYS   3   4.289  -0.905  13.360
   39   3HZ   LYS   3          3HZ       LYS   3   5.605   0.109  13.006
   40    H    LEU   4           H        LEU   4   7.767  -7.773   9.520
   41    HA   LEU   4           HA       LEU   4   7.253  -7.592   6.799
   42   1HB   LEU   4          2HB       LEU   4   8.584  -9.270   8.473
   43   2HB   LEU   4          1HB       LEU   4   7.271 -10.326   7.954
   44    HG   LEU   4           HG       LEU   4   8.028  -9.158   5.581
   45   1HD1  LEU   4          1HD1      LEU   4  10.023  -8.306   7.124
   46   2HD1  LEU   4          2HD1      LEU   4  10.320  -8.839   5.470
   47   3HD1  LEU   4          3HD1      LEU   4  10.641  -9.928   6.818
   48   1HD2  LEU   4          1HD2      LEU   4   7.830 -11.412   5.325
   49   2HD2  LEU   4          2HD2      LEU   4   8.411 -11.737   6.958
   50   3HD2  LEU   4          3HD2      LEU   4   9.562 -11.440   5.656
   51    H    PHE   5           H        PHE   5   5.340  -9.514   9.145
   52    HA   PHE   5           HA       PHE   5   3.432 -10.635   7.442
   53   1HB   PHE   5          2HB       PHE   5   3.897 -10.473  10.111
   54   2HB   PHE   5          1HB       PHE   5   2.454  -9.473   9.980
   55    HD1  PHE   5           HD1      PHE   5   0.313 -10.420   9.514
   56    HD2  PHE   5           HD2      PHE   5   3.850 -12.843   9.262
   57    HE1  PHE   5           HE1      PHE   5  -1.094 -12.454   9.328
   58    HE2  PHE   5           HE2      PHE   5   2.444 -14.877   9.074
   59    HZ   PHE   5           HZ       PHE   5  -0.030 -14.683   9.108
   60    H    LYS   6           H        LYS   6   3.482  -7.402   8.803
   61    HA   LYS   6           HA       LYS   6   0.894  -6.657   7.682
   62   1HB   LYS   6          2HB       LYS   6   2.889  -5.647   9.505
   63   2HB   LYS   6          1HB       LYS   6   2.403  -4.374   8.383
   64   1HG   LYS   6          2HG       LYS   6   0.000  -4.969   8.878
   65   2HG   LYS   6          1HG       LYS   6   0.592  -6.042  10.147
   66   1HD   LYS   6          2HD       LYS   6   1.918  -3.581  10.537
   67   2HD   LYS   6          1HD       LYS   6   0.228  -3.180  10.227
   68   1HE   LYS   6          2HE       LYS   6   1.334  -5.007  12.379
   69   2HE   LYS   6          1HE       LYS   6   0.321  -3.562  12.581
   70   1HZ   LYS   6          1HZ       LYS   6  -1.321  -5.104  12.597
   71   2HZ   LYS   6          2HZ       LYS   6  -0.425  -6.245  11.713
   72   3HZ   LYS   6          3HZ       LYS   6  -1.185  -4.953  10.912
   73    H    LYS   7           H        LYS   7   3.744  -7.218   6.118
   74    HA   LYS   7           HA       LYS   7   3.993  -4.865   4.442
   75   1HB   LYS   7          2HB       LYS   7   4.850  -7.759   4.122
   76   2HB   LYS   7          1HB       LYS   7   5.415  -6.437   3.101
   77   1HG   LYS   7          2HG       LYS   7   5.717  -6.436   6.112
   78   2HG   LYS   7          1HG       LYS   7   6.960  -7.049   5.022
   79   1HD   LYS   7          2HD       LYS   7   7.307  -4.921   4.035
   80   2HD   LYS   7          1HD       LYS   7   5.797  -4.283   4.687
   81   1HE   LYS   7          2HE       LYS   7   7.341  -5.192   6.904
   82   2HE   LYS   7          1HE       LYS   7   8.399  -4.195   5.885
   83   1HZ   LYS   7          1HZ       LYS   7   7.295  -2.573   7.040
   84   2HZ   LYS   7          2HZ       LYS   7   5.870  -3.483   7.197
   85   3HZ   LYS   7          3HZ       LYS   7   6.248  -2.741   5.716
   86    H    ILE   8           H        ILE   8   1.823  -7.490   4.547
   87    HA   ILE   8           HA       ILE   8   1.090  -7.446   1.700
   88    HB   ILE   8           HB       ILE   8   0.035  -8.828   4.184
   89   1HG1  ILE   8          2HG1      ILE   8   1.889  -9.597   1.930
   90   2HG1  ILE   8          1HG1      ILE   8   2.196  -9.661   3.663
   91   1HG2  ILE   8          1HG2      ILE   8  -1.171 -10.293   2.550
   92   2HG2  ILE   8          2HG2      ILE   8  -0.703  -9.184   1.262
   93   3HG2  ILE   8          3HG2      ILE   8  -1.769  -8.634   2.555
   94   1HD1  ILE   8          1HD1      ILE   8   0.568 -11.464   3.923
   95   2HD1  ILE   8          2HD1      ILE   8   1.753 -11.917   2.699
   96   3HD1  ILE   8          3HD1      ILE   8   0.150 -11.367   2.213
   97    H    GLY   9           H        GLY   9   0.327  -5.538   4.397
   98   1HA   GLY   9          2HA       GLY   9  -2.447  -5.006   3.456
   99   2HA   GLY   9          1HA       GLY   9  -1.774  -4.474   4.996
  100    H    ILE  10           H        ILE  10   0.353  -4.030   2.368
  101    HA   ILE  10           HA       ILE  10   0.342  -1.155   2.653
  102    HB   ILE  10           HB       ILE  10   1.507  -3.077   0.618
  103   1HG1  ILE  10          2HG1      ILE  10   2.619  -1.677   3.068
  104   2HG1  ILE  10          1HG1      ILE  10   2.383  -3.412   2.853
  105   1HG2  ILE  10          1HG2      ILE  10   3.008  -1.195   0.006
  106   2HG2  ILE  10          2HG2      ILE  10   2.084  -0.132   1.067
  107   3HG2  ILE  10          3HG2      ILE  10   1.322  -0.831  -0.362
  108   1HD1  ILE  10          1HD1      ILE  10   4.252  -1.684   1.207
  109   2HD1  ILE  10          2HD1      ILE  10   4.024  -3.423   1.022
  110   3HD1  ILE  10          3HD1      ILE  10   4.747  -2.781   2.497
  111    H    GLY  11           H        GLY  11  -0.785  -3.330   0.040
  112   1HA   GLY  11          2HA       GLY  11  -2.024  -1.046  -1.352
  113   2HA   GLY  11          1HA       GLY  11  -1.975  -2.709  -1.936
  114    H    LYS  12           H        LYS  12  -2.957  -3.645   0.781
  115    HA   LYS  12           HA       LYS  12  -5.761  -3.728   0.152
  116   1HB   LYS  12          2HB       LYS  12  -4.066  -5.168   1.666
  117   2HB   LYS  12          1HB       LYS  12  -4.787  -4.174   2.933
  118   1HG   LYS  12          2HG       LYS  12  -7.051  -4.833   1.759
  119   2HG   LYS  12          1HG       LYS  12  -6.101  -6.180   1.131
  120   1HD   LYS  12          2HD       LYS  12  -5.666  -7.038   3.273
  121   2HD   LYS  12          1HD       LYS  12  -6.042  -5.508   4.064
  122   1HE   LYS  12          2HE       LYS  12  -8.077  -7.247   2.622
  123   2HE   LYS  12          1HE       LYS  12  -7.876  -7.161   4.384
  124   1HZ   LYS  12          1HZ       LYS  12  -9.336  -5.465   4.176
  125   2HZ   LYS  12          2HZ       LYS  12  -8.953  -5.178   2.544
  126   3HZ   LYS  12          3HZ       LYS  12  -7.946  -4.578   3.775
  127    H    PHE  13           H        PHE  13  -3.812  -1.551   2.105
  128    HA   PHE  13           HA       PHE  13  -5.751  -0.384   3.789
  129   1HB   PHE  13          2HB       PHE  13  -3.107   0.015   3.063
  130   2HB   PHE  13          1HB       PHE  13  -3.888   1.496   2.512
  131    HD1  PHE  13           HD1      PHE  13  -6.175   1.246   4.658
  132    HD2  PHE  13           HD2      PHE  13  -1.885   1.182   4.858
  133    HE1  PHE  13           HE1      PHE  13  -6.273   2.071   6.994
  134    HE2  PHE  13           HE2      PHE  13  -1.982   2.007   7.195
  135    HZ   PHE  13           HZ       PHE  13  -4.176   2.450   8.264
  136    H    LEU  14           H        LEU  14  -5.071   0.166   0.365
  137    HA   LEU  14           HA       LEU  14  -7.013   2.365   0.136
  138   1HB   LEU  14          2HB       LEU  14  -5.437   0.717  -1.871
  139   2HB   LEU  14          1HB       LEU  14  -6.356   2.170  -2.268
  140    HG   LEU  14           HG       LEU  14  -4.462   2.466  -0.015
  141   1HD1  LEU  14          1HD1      LEU  14  -3.593   1.764  -2.812
  142   2HD1  LEU  14          2HD1      LEU  14  -2.945   1.186  -1.277
  143   3HD1  LEU  14          3HD1      LEU  14  -2.609   2.832  -1.813
  144   1HD2  LEU  14          1HD2      LEU  14  -5.589   4.418  -0.783
  145   2HD2  LEU  14          2HD2      LEU  14  -5.288   4.018  -2.474
  146   3HD2  LEU  14          3HD2      LEU  14  -3.958   4.548  -1.443
  147    H    HIS  15           H        HIS  15  -6.952  -1.115  -0.308
  148    HA   HIS  15           HA       HIS  15  -9.127  -1.530  -2.043
  149   1HB   HIS  15          2HB       HIS  15  -7.494  -3.178  -1.035
  150   2HB   HIS  15          1HB       HIS  15  -8.449  -3.111   0.441
  151    HD1  HIS  15           HD1      HIS  15 -10.183  -4.868   0.578
  152    HD2  HIS  15           HD2      HIS  15  -9.377  -3.851  -3.382
  153    HE1  HIS  15           HE1      HIS  15 -11.641  -6.364  -0.856
  154    H    SER  16           H        SER  16  -9.358  -1.874   1.454
  155    HA   SER  16           HA       SER  16 -12.201  -1.677   1.577
  156   1HB   SER  16          2HB       SER  16 -10.265  -2.438   3.251
  157   2HB   SER  16          1HB       SER  16 -10.476  -0.794   3.851
  158    HG   SER  16           HG       SER  16 -11.893  -2.786   4.550
  159    H    ALA  17           H        ALA  17  -9.822   0.735   1.147
  160    HA   ALA  17           HA       ALA  17 -11.311   2.952   2.329
  161   1HB   ALA  17          1HB       ALA  17  -8.869   2.921   2.168
  162   2HB   ALA  17          2HB       ALA  17  -9.500   4.263   1.212
  163   3HB   ALA  17          3HB       ALA  17  -8.965   2.785   0.412
  164    H    LYS  18           H        LYS  18 -10.957   1.549  -0.920
  165    HA   LYS  18           HA       LYS  18 -12.521   3.714  -2.153
  166   1HB   LYS  18          2HB       LYS  18 -10.650   2.660  -3.327
  167   2HB   LYS  18          1HB       LYS  18 -11.426   1.082  -3.176
  168   1HG   LYS  18          2HG       LYS  18 -12.728   1.465  -4.976
  169   2HG   LYS  18          1HG       LYS  18 -13.239   3.030  -4.341
  170   1HD   LYS  18          2HD       LYS  18 -12.030   3.243  -6.506
  171   2HD   LYS  18          1HD       LYS  18 -11.197   4.077  -5.191
  172   1HE   LYS  18          2HE       LYS  18  -9.525   2.818  -6.423
  173   2HE   LYS  18          1HE       LYS  18  -9.800   1.958  -4.894
  174   1HZ   LYS  18          1HZ       LYS  18 -11.428   0.563  -6.000
  175   2HZ   LYS  18          2HZ       LYS  18  -9.929   0.447  -6.792
  176   3HZ   LYS  18          3HZ       LYS  18 -11.179   1.383  -7.465
  177    H    LYS  19           H        LYS  19 -13.087   0.630  -0.735
  178    HA   LYS  19           HA       LYS  19 -15.831   0.503  -1.921
  179   1HB   LYS  19          2HB       LYS  19 -13.770  -1.407  -1.025
  180   2HB   LYS  19          1HB       LYS  19 -15.402  -1.823  -0.499
  181   1HG   LYS  19          2HG       LYS  19 -14.977  -0.980  -3.344
  182   2HG   LYS  19          1HG       LYS  19 -14.521  -2.616  -2.867
  183   1HD   LYS  19          2HD       LYS  19 -17.130  -1.877  -1.798
  184   2HD   LYS  19          1HD       LYS  19 -17.088  -1.754  -3.558
  185   1HE   LYS  19          2HE       LYS  19 -15.708  -4.154  -2.812
  186   2HE   LYS  19          1HE       LYS  19 -17.284  -4.132  -1.994
  187   1HZ   LYS  19          1HZ       LYS  19 -17.029  -3.320  -4.822
  188   2HZ   LYS  19          2HZ       LYS  19 -18.413  -3.842  -3.986
  189   3HZ   LYS  19          3HZ       LYS  19 -17.202  -4.956  -4.409
  190    H    PHE  20           H        PHE  20 -14.356   1.815   0.701
  191    HA   PHE  20           HA       PHE  20 -16.835   1.705   2.310
  192   1HB   PHE  20          2HB       PHE  20 -14.644  -0.032   2.738
  193   2HB   PHE  20          1HB       PHE  20 -14.556   1.179   4.017
  194    HD1  PHE  20           HD1      PHE  20 -17.084   1.854   4.895
  195    HD2  PHE  20           HD2      PHE  20 -15.856  -1.937   3.287
  196    HE1  PHE  20           HE1      PHE  20 -18.957   0.743   6.081
  197    HE2  PHE  20           HE2      PHE  20 -17.729  -3.046   4.475
  198    HZ   PHE  20           HZ       PHE  20 -19.279  -1.706   5.873
  199   1HN   NH2  21          1HN       NH2  21 -13.494   2.936   1.926
  200   2HN   NH2  21          2HN       NH2  21 -13.778   4.436   2.665
  Start of MODEL    6
    1   1H    LYS   1          1H        LYS   1  14.249  -1.764 -11.743
    2   2H    LYS   1          2H        LYS   1  14.343  -1.244 -13.358
    3   3H    LYS   1          3H        LYS   1  14.016  -2.874 -13.004
    4    HA   LYS   1           HA       LYS   1  12.110  -1.104 -13.604
    5   1HB   LYS   1          2HB       LYS   1  10.655  -2.820 -12.443
    6   2HB   LYS   1          1HB       LYS   1  11.882  -3.509 -13.506
    7   1HG   LYS   1          2HG       LYS   1  13.323  -3.445 -11.250
    8   2HG   LYS   1          1HG       LYS   1  11.718  -3.549 -10.526
    9   1HD   LYS   1          2HD       LYS   1  11.220  -5.556 -11.825
   10   2HD   LYS   1          1HD       LYS   1  12.769  -5.432 -12.658
   11   1HE   LYS   1          2HE       LYS   1  13.237  -7.001 -10.961
   12   2HE   LYS   1          1HE       LYS   1  13.762  -5.480 -10.209
   13   1HZ   LYS   1          1HZ       LYS   1  11.358  -7.068  -9.703
   14   2HZ   LYS   1          2HZ       LYS   1  11.205  -5.377  -9.623
   15   3HZ   LYS   1          3HZ       LYS   1  12.315  -6.180  -8.618
   16    H    LEU   2           H        LEU   2  10.574   0.175 -12.469
   17    HA   LEU   2           HA       LEU   2  11.471   1.676 -10.234
   18   1HB   LEU   2          2HB       LEU   2   9.071   1.329 -11.882
   19   2HB   LEU   2          1HB       LEU   2   8.700   1.830 -10.231
   20    HG   LEU   2           HG       LEU   2  10.979   3.253 -11.449
   21   1HD1  LEU   2          1HD1      LEU   2   9.976   3.811 -13.388
   22   2HD1  LEU   2          2HD1      LEU   2   8.724   4.621 -12.447
   23   3HD1  LEU   2          3HD1      LEU   2   8.513   2.938 -12.930
   24   1HD2  LEU   2          1HD2      LEU   2   9.630   3.654  -9.238
   25   2HD2  LEU   2          2HD2      LEU   2   8.468   4.448 -10.300
   26   3HD2  LEU   2          3HD2      LEU   2  10.125   5.045 -10.202
   27    H    LYS   3           H        LYS   3   9.600   1.771  -8.292
   28    HA   LYS   3           HA       LYS   3   9.891  -0.869  -6.944
   29   1HB   LYS   3          2HB       LYS   3   9.344   1.976  -6.066
   30   2HB   LYS   3          1HB       LYS   3   9.227   0.615  -4.951
   31   1HG   LYS   3          2HG       LYS   3  11.673   1.488  -6.511
   32   2HG   LYS   3          1HG       LYS   3  11.457   1.533  -4.760
   33   1HD   LYS   3          2HD       LYS   3  10.985  -1.058  -5.090
   34   2HD   LYS   3          1HD       LYS   3  11.944  -0.816  -6.550
   35   1HE   LYS   3          2HE       LYS   3  13.108   0.467  -4.164
   36   2HE   LYS   3          1HE       LYS   3  13.015  -1.300  -4.054
   37   1HZ   LYS   3          1HZ       LYS   3  13.759  -0.679  -6.664
   38   2HZ   LYS   3          2HZ       LYS   3  14.708  -1.419  -5.466
   39   3HZ   LYS   3          3HZ       LYS   3  14.735   0.268  -5.653
   40    H    LEU   4           H        LEU   4   7.772  -0.203  -9.020
   41    HA   LEU   4           HA       LEU   4   5.223   0.306  -8.046
   42   1HB   LEU   4          2HB       LEU   4   6.460  -1.343 -10.173
   43   2HB   LEU   4          1HB       LEU   4   4.789  -1.757  -9.780
   44    HG   LEU   4           HG       LEU   4   4.242   0.709  -9.969
   45   1HD1  LEU   4          1HD1      LEU   4   5.812   2.180 -11.032
   46   2HD1  LEU   4          2HD1      LEU   4   6.916   0.850 -11.382
   47   3HD1  LEU   4          3HD1      LEU   4   6.683   1.387  -9.719
   48   1HD2  LEU   4          1HD2      LEU   4   3.495  -0.004 -11.973
   49   2HD2  LEU   4          2HD2      LEU   4   4.744  -1.248 -12.030
   50   3HD2  LEU   4          3HD2      LEU   4   5.078   0.367 -12.656
   51    H    PHE   5           H        PHE   5   7.148  -2.622  -7.575
   52    HA   PHE   5           HA       PHE   5   5.003  -4.219  -6.467
   53   1HB   PHE   5          2HB       PHE   5   7.843  -4.378  -7.053
   54   2HB   PHE   5          1HB       PHE   5   7.470  -5.135  -5.504
   55    HD1  PHE   5           HD1      PHE   5   7.849  -7.415  -6.243
   56    HD2  PHE   5           HD2      PHE   5   5.025  -4.884  -8.259
   57    HE1  PHE   5           HE1      PHE   5   6.921  -9.389  -7.424
   58    HE2  PHE   5           HE2      PHE   5   4.098  -6.857  -9.441
   59    HZ   PHE   5           HZ       PHE   5   5.046  -9.110  -9.023
   60    H    LYS   6           H        LYS   6   7.315  -1.954  -5.175
   61    HA   LYS   6           HA       LYS   6   7.128  -2.597  -2.397
   62   1HB   LYS   6          2HB       LYS   6   8.521  -0.861  -3.965
   63   2HB   LYS   6          1HB       LYS   6   7.372   0.246  -3.214
   64   1HG   LYS   6          2HG       LYS   6   8.782  -1.753  -1.483
   65   2HG   LYS   6          1HG       LYS   6   9.665  -0.320  -2.015
   66   1HD   LYS   6          2HD       LYS   6   6.912  -0.073  -0.813
   67   2HD   LYS   6          1HD       LYS   6   8.341  -0.181   0.216
   68   1HE   LYS   6          2HE       LYS   6   9.195   1.706  -1.538
   69   2HE   LYS   6          1HE       LYS   6   7.454   2.042  -1.548
   70   1HZ   LYS   6          1HZ       LYS   6   8.536   1.450   1.062
   71   2HZ   LYS   6          2HZ       LYS   6   7.478   2.688   0.583
   72   3HZ   LYS   6          3HZ       LYS   6   9.153   2.872   0.376
   73    H    LYS   7           H        LYS   7   4.856  -1.203  -4.573
   74    HA   LYS   7           HA       LYS   7   3.308   0.263  -2.568
   75   1HB   LYS   7          2HB       LYS   7   2.517  -0.689  -5.336
   76   2HB   LYS   7          1HB       LYS   7   1.856   0.689  -4.452
   77   1HG   LYS   7          2HG       LYS   7   4.704   0.423  -5.467
   78   2HG   LYS   7          1HG       LYS   7   3.455   1.469  -6.141
   79   1HD   LYS   7          2HD       LYS   7   4.351   1.657  -3.259
   80   2HD   LYS   7          1HD       LYS   7   5.098   2.600  -4.550
   81   1HE   LYS   7          2HE       LYS   7   3.257   3.960  -4.801
   82   2HE   LYS   7          1HE       LYS   7   2.116   2.659  -4.405
   83   1HZ   LYS   7          1HZ       LYS   7   4.011   3.650  -2.374
   84   2HZ   LYS   7          2HZ       LYS   7   2.522   2.861  -2.153
   85   3HZ   LYS   7          3HZ       LYS   7   2.561   4.484  -2.654
   86    H    ILE   8           H        ILE   8   3.721  -2.987  -3.313
   87    HA   ILE   8           HA       ILE   8   1.147  -4.139  -3.206
   88    HB   ILE   8           HB       ILE   8   3.859  -4.997  -2.161
   89   1HG1  ILE   8          2HG1      ILE   8   3.409  -4.544  -4.660
   90   2HG1  ILE   8          1HG1      ILE   8   4.094  -6.113  -4.241
   91   1HG2  ILE   8          1HG2      ILE   8   2.431  -6.428  -0.977
   92   2HG2  ILE   8          2HG2      ILE   8   2.732  -7.341  -2.455
   93   3HG2  ILE   8          3HG2      ILE   8   1.224  -6.447  -2.261
   94   1HD1  ILE   8          1HD1      ILE   8   2.198  -6.281  -5.865
   95   2HD1  ILE   8          2HD1      ILE   8   1.133  -5.591  -4.640
   96   3HD1  ILE   8          3HD1      ILE   8   1.897  -7.157  -4.364
   97    H    GLY   9           H        GLY   9   3.126  -2.753  -0.644
   98   1HA   GLY   9          2HA       GLY   9   1.614  -3.885   1.552
   99   2HA   GLY   9          1HA       GLY   9   2.728  -2.521   1.665
  100    H    ILE  10           H        ILE  10   1.421  -0.877  -0.315
  101    HA   ILE  10           HA       ILE  10  -0.759   0.180   1.360
  102    HB   ILE  10           HB       ILE  10   0.327   1.134  -1.307
  103   1HG1  ILE  10          2HG1      ILE  10   2.082   0.724   0.504
  104   2HG1  ILE  10          1HG1      ILE  10   1.993   2.375  -0.110
  105   1HG2  ILE  10          1HG2      ILE  10  -1.429   2.558  -0.949
  106   2HG2  ILE  10          2HG2      ILE  10  -0.295   3.342   0.151
  107   3HG2  ILE  10          3HG2      ILE  10  -1.491   2.208   0.779
  108   1HD1  ILE  10          1HD1      ILE  10   2.068   1.999   2.474
  109   2HD1  ILE  10          2HD1      ILE  10   0.368   1.566   2.291
  110   3HD1  ILE  10          3HD1      ILE  10   0.924   3.172   1.820
  111    H    GLY  11           H        GLY  11  -1.494  -2.320   0.313
  112   1HA   GLY  11          2HA       GLY  11  -3.413  -1.576  -1.859
  113   2HA   GLY  11          1HA       GLY  11  -2.753  -3.199  -1.659
  114    H    LYS  12           H        LYS  12  -3.004  -3.371   1.179
  115    HA   LYS  12           HA       LYS  12  -5.617  -4.394   1.495
  116   1HB   LYS  12          2HB       LYS  12  -3.481  -3.373   3.369
  117   2HB   LYS  12          1HB       LYS  12  -4.989  -4.046   3.991
  118   1HG   LYS  12          2HG       LYS  12  -4.581  -6.162   2.943
  119   2HG   LYS  12          1HG       LYS  12  -3.238  -5.509   2.004
  120   1HD   LYS  12          2HD       LYS  12  -2.280  -6.735   3.841
  121   2HD   LYS  12          1HD       LYS  12  -2.068  -5.020   4.195
  122   1HE   LYS  12          2HE       LYS  12  -4.614  -6.186   5.173
  123   2HE   LYS  12          1HE       LYS  12  -3.145  -6.777   5.978
  124   1HZ   LYS  12          1HZ       LYS  12  -3.366  -3.912   5.394
  125   2HZ   LYS  12          2HZ       LYS  12  -2.560  -4.696   6.669
  126   3HZ   LYS  12          3HZ       LYS  12  -4.250  -4.525   6.704
  127    H    PHE  13           H        PHE  13  -4.332  -1.241   2.619
  128    HA   PHE  13           HA       PHE  13  -6.944  -0.293   3.499
  129   1HB   PHE  13          2HB       PHE  13  -4.268   0.323   3.896
  130   2HB   PHE  13          1HB       PHE  13  -4.857   1.692   2.950
  131    HD1  PHE  13           HD1      PHE  13  -5.272  -0.220   6.088
  132    HD2  PHE  13           HD2      PHE  13  -6.518   3.215   3.831
  133    HE1  PHE  13           HE1      PHE  13  -6.382   0.703   8.106
  134    HE2  PHE  13           HE2      PHE  13  -7.626   4.139   5.848
  135    HZ   PHE  13           HZ       PHE  13  -7.557   2.883   7.985
  136    H    LEU  14           H        LEU  14  -4.773   0.615   0.792
  137    HA   LEU  14           HA       LEU  14  -6.252   2.568  -0.495
  138   1HB   LEU  14          2HB       LEU  14  -4.126   0.842  -1.047
  139   2HB   LEU  14          1HB       LEU  14  -5.275   0.537  -2.349
  140    HG   LEU  14           HG       LEU  14  -4.113   3.215  -1.538
  141   1HD1  LEU  14          1HD1      LEU  14  -2.747   1.623  -2.975
  142   2HD1  LEU  14          2HD1      LEU  14  -3.089   3.189  -3.711
  143   3HD1  LEU  14          3HD1      LEU  14  -4.013   1.767  -4.195
  144   1HD2  LEU  14          1HD2      LEU  14  -5.910   4.205  -2.469
  145   2HD2  LEU  14          2HD2      LEU  14  -6.659   2.623  -2.678
  146   3HD2  LEU  14          3HD2      LEU  14  -5.652   3.298  -3.959
  147    H    HIS  15           H        HIS  15  -6.721  -0.965  -0.873
  148    HA   HIS  15           HA       HIS  15  -8.956  -0.730  -2.670
  149   1HB   HIS  15          2HB       HIS  15  -7.287  -2.671  -2.068
  150   2HB   HIS  15          1HB       HIS  15  -8.488  -3.054  -0.839
  151    HD1  HIS  15           HD1      HIS  15 -11.085  -2.483  -2.324
  152    HD2  HIS  15           HD2      HIS  15  -7.878  -4.492  -4.076
  153    HE1  HIS  15           HE1      HIS  15 -12.044  -3.830  -4.243
  154    H    SER  16           H        SER  16  -9.010  -2.039   0.608
  155    HA   SER  16           HA       SER  16 -11.739  -1.918   1.108
  156   1HB   SER  16          2HB       SER  16  -9.775  -1.124   3.227
  157   2HB   SER  16          1HB       SER  16 -11.121  -2.254   3.335
  158    HG   SER  16           HG       SER  16  -9.950  -3.726   2.145
  159    H    ALA  17           H        ALA  17  -9.439   0.693   1.114
  160    HA   ALA  17           HA       ALA  17 -10.960   2.682   2.491
  161   1HB   ALA  17          1HB       ALA  17  -8.981   2.934   0.200
  162   2HB   ALA  17          2HB       ALA  17  -8.551   2.807   1.906
  163   3HB   ALA  17          3HB       ALA  17  -9.425   4.222   1.321
  164    H    LYS  18           H        LYS  18 -10.743   1.872  -0.980
  165    HA   LYS  18           HA       LYS  18 -12.831   3.802  -1.699
  166   1HB   LYS  18          2HB       LYS  18 -11.191   1.683  -3.089
  167   2HB   LYS  18          1HB       LYS  18 -12.496   2.516  -3.935
  168   1HG   LYS  18          2HG       LYS  18 -10.732   4.335  -2.454
  169   2HG   LYS  18          1HG       LYS  18  -9.899   3.437  -3.725
  170   1HD   LYS  18          2HD       LYS  18 -10.718   5.332  -4.856
  171   2HD   LYS  18          1HD       LYS  18 -11.924   4.096  -5.214
  172   1HE   LYS  18          2HE       LYS  18 -13.317   4.943  -3.319
  173   2HE   LYS  18          1HE       LYS  18 -12.130   6.240  -3.070
  174   1HZ   LYS  18          1HZ       LYS  18 -14.009   5.843  -5.266
  175   2HZ   LYS  18          2HZ       LYS  18 -12.466   6.417  -5.686
  176   3HZ   LYS  18          3HZ       LYS  18 -13.429   7.286  -4.588
  177    H    LYS  19           H        LYS  19 -12.859   0.781  -0.268
  178    HA   LYS  19           HA       LYS  19 -15.471   0.002  -1.507
  179   1HB   LYS  19          2HB       LYS  19 -13.572  -1.606  -1.562
  180   2HB   LYS  19          1HB       LYS  19 -13.489  -1.545   0.199
  181   1HG   LYS  19          2HG       LYS  19 -15.697  -2.494   0.408
  182   2HG   LYS  19          1HG       LYS  19 -15.971  -2.364  -1.330
  183   1HD   LYS  19          2HD       LYS  19 -13.535  -3.853  -0.602
  184   2HD   LYS  19          1HD       LYS  19 -15.034  -4.617  -0.072
  185   1HE   LYS  19          2HE       LYS  19 -15.708  -5.069  -2.220
  186   2HE   LYS  19          1HE       LYS  19 -15.039  -3.551  -2.853
  187   1HZ   LYS  19          1HZ       LYS  19 -13.453  -5.905  -1.966
  188   2HZ   LYS  19          2HZ       LYS  19 -12.813  -4.444  -2.548
  189   3HZ   LYS  19          3HZ       LYS  19 -13.715  -5.449  -3.577
  190    H    PHE  20           H        PHE  20 -14.398   1.792   1.018
  191    HA   PHE  20           HA       PHE  20 -16.622   0.889   2.819
  192   1HB   PHE  20          2HB       PHE  20 -13.956   0.691   3.322
  193   2HB   PHE  20          1HB       PHE  20 -14.263   2.319   3.927
  194    HD1  PHE  20           HD1      PHE  20 -15.653   2.707   5.866
  195    HD2  PHE  20           HD2      PHE  20 -15.139  -1.257   4.292
  196    HE1  PHE  20           HE1      PHE  20 -16.669   1.760   7.920
  197    HE2  PHE  20           HE2      PHE  20 -16.154  -2.205   6.346
  198    HZ   PHE  20           HZ       PHE  20 -16.920  -0.696   8.160
  199   1HN   NH2  21          1HN       NH2  21 -14.961   3.528   1.204
  200   2HN   NH2  21          2HN       NH2  21 -15.978   4.766   1.741
  Start of MODEL    7
    1   1H    LYS   1          1H        LYS   1   5.706 -14.540  -6.888
    2   2H    LYS   1          2H        LYS   1   6.186 -14.349  -8.506
    3   3H    LYS   1          3H        LYS   1   4.549 -14.603  -8.125
    4    HA   LYS   1           HA       LYS   1   5.244 -12.224  -8.678
    5   1HB   LYS   1          2HB       LYS   1   3.409 -13.490  -6.912
    6   2HB   LYS   1          1HB       LYS   1   3.954 -12.015  -6.112
    7   1HG   LYS   1          2HG       LYS   1   3.078 -12.020  -9.002
    8   2HG   LYS   1          1HG       LYS   1   1.929 -11.796  -7.682
    9   1HD   LYS   1          2HD       LYS   1   4.150 -10.100  -7.154
   10   2HD   LYS   1          1HD       LYS   1   3.704  -9.863  -8.845
   11   1HE   LYS   1          2HE       LYS   1   1.299 -10.027  -7.264
   12   2HE   LYS   1          1HE       LYS   1   2.381  -8.803  -6.568
   13   1HZ   LYS   1          1HZ       LYS   1   2.211  -8.915  -9.476
   14   2HZ   LYS   1          2HZ       LYS   1   2.366  -7.571  -8.450
   15   3HZ   LYS   1          3HZ       LYS   1   0.850  -8.305  -8.668
   16    H    LEU   2           H        LEU   2   6.475 -10.466  -7.975
   17    HA   LEU   2           HA       LEU   2   8.747 -10.859  -6.319
   18   1HB   LEU   2          2HB       LEU   2   7.191  -8.447  -7.274
   19   2HB   LEU   2          1HB       LEU   2   8.678  -8.277  -6.338
   20    HG   LEU   2           HG       LEU   2   8.663 -10.092  -8.726
   21   1HD1  LEU   2          1HD1      LEU   2   7.825  -7.473  -8.984
   22   2HD1  LEU   2          2HD1      LEU   2   8.579  -8.427 -10.261
   23   3HD1  LEU   2          3HD1      LEU   2   9.561  -7.349  -9.268
   24   1HD2  LEU   2          1HD2      LEU   2  11.020  -8.744  -8.702
   25   2HD2  LEU   2          2HD2      LEU   2  10.749 -10.230  -7.791
   26   3HD2  LEU   2          3HD2      LEU   2  10.604  -8.666  -6.991
   27    H    LYS   3           H        LYS   3   9.162 -10.103  -4.141
   28    HA   LYS   3           HA       LYS   3   6.706  -9.570  -2.505
   29   1HB   LYS   3          2HB       LYS   3   9.054 -11.326  -1.736
   30   2HB   LYS   3          1HB       LYS   3   7.511 -11.178  -0.894
   31   1HG   LYS   3          2HG       LYS   3   6.626 -11.869  -3.359
   32   2HG   LYS   3          1HG       LYS   3   8.183 -12.697  -3.352
   33   1HD   LYS   3          2HD       LYS   3   7.624 -13.965  -1.421
   34   2HD   LYS   3          1HD       LYS   3   6.251 -12.924  -1.043
   35   1HE   LYS   3          2HE       LYS   3   6.371 -14.515  -3.618
   36   2HE   LYS   3          1HE       LYS   3   5.672 -15.182  -2.129
   37   1HZ   LYS   3          1HZ       LYS   3   4.643 -13.124  -3.864
   38   2HZ   LYS   3          2HZ       LYS   3   4.641 -12.678  -2.225
   39   3HZ   LYS   3          3HZ       LYS   3   3.830 -14.084  -2.728
   40    H    LEU   4           H        LEU   4   8.001  -7.352  -3.162
   41    HA   LEU   4           HA       LEU   4   9.736  -6.736  -0.793
   42   1HB   LEU   4          2HB       LEU   4  10.256  -6.628  -3.649
   43   2HB   LEU   4          1HB       LEU   4  10.448  -5.033  -2.920
   44    HG   LEU   4           HG       LEU   4  11.723  -6.484  -1.055
   45   1HD1  LEU   4          1HD1      LEU   4  11.185  -8.456  -2.852
   46   2HD1  LEU   4          2HD1      LEU   4  12.577  -8.480  -1.771
   47   3HD1  LEU   4          3HD1      LEU   4  12.761  -7.919  -3.432
   48   1HD2  LEU   4          1HD2      LEU   4  12.858  -5.537  -3.707
   49   2HD2  LEU   4          2HD2      LEU   4  13.836  -5.937  -2.295
   50   3HD2  LEU   4          3HD2      LEU   4  12.704  -4.587  -2.229
   51    H    PHE   5           H        PHE   5   6.768  -6.300  -1.695
   52    HA   PHE   5           HA       PHE   5   6.717  -3.327  -1.324
   53   1HB   PHE   5          2HB       PHE   5   5.516  -5.158  -3.178
   54   2HB   PHE   5          1HB       PHE   5   4.240  -4.375  -2.251
   55    HD1  PHE   5           HD1      PHE   5   7.106  -3.809  -4.525
   56    HD2  PHE   5           HD2      PHE   5   3.815  -2.000  -2.438
   57    HE1  PHE   5           HE1      PHE   5   7.387  -1.746  -5.870
   58    HE2  PHE   5           HE2      PHE   5   4.098   0.063  -3.782
   59    HZ   PHE   5           HZ       PHE   5   5.884   0.191  -5.498
   60    H    LYS   6           H        LYS   6   5.766  -6.376  -0.065
   61    HA   LYS   6           HA       LYS   6   3.517  -5.539   1.539
   62   1HB   LYS   6          2HB       LYS   6   3.656  -7.741   2.405
   63   2HB   LYS   6          1HB       LYS   6   4.300  -7.883   0.770
   64   1HG   LYS   6          2HG       LYS   6   6.175  -8.757   1.658
   65   2HG   LYS   6          1HG       LYS   6   6.501  -7.187   2.392
   66   1HD   LYS   6          2HD       LYS   6   5.010  -7.872   4.314
   67   2HD   LYS   6          1HD       LYS   6   4.953  -9.489   3.610
   68   1HE   LYS   6          2HE       LYS   6   7.612  -8.159   4.137
   69   2HE   LYS   6          1HE       LYS   6   6.762  -9.035   5.425
   70   1HZ   LYS   6          1HZ       LYS   6   8.136 -10.582   4.240
   71   2HZ   LYS   6          2HZ       LYS   6   7.497 -10.088   2.745
   72   3HZ   LYS   6          3HZ       LYS   6   6.517 -10.913   3.860
   73    H    LYS   7           H        LYS   7   6.734  -4.652   1.794
   74    HA   LYS   7           HA       LYS   7   7.018  -4.757   4.702
   75   1HB   LYS   7          2HB       LYS   7   8.500  -3.719   2.321
   76   2HB   LYS   7          1HB       LYS   7   8.916  -3.045   3.897
   77   1HG   LYS   7          2HG       LYS   7   8.681  -6.022   3.597
   78   2HG   LYS   7          1HG       LYS   7  10.144  -5.213   3.035
   79   1HD   LYS   7          2HD       LYS   7   9.124  -4.487   5.745
   80   2HD   LYS   7          1HD       LYS   7   9.898  -6.061   5.558
   81   1HE   LYS   7          2HE       LYS   7  11.920  -5.047   5.628
   82   2HE   LYS   7          1HE       LYS   7  11.496  -4.135   4.165
   83   1HZ   LYS   7          1HZ       LYS   7  10.524  -3.401   6.870
   84   2HZ   LYS   7          2HZ       LYS   7  10.429  -2.478   5.446
   85   3HZ   LYS   7          3HZ       LYS   7  11.933  -2.743   6.192
   86    H    ILE   8           H        ILE   8   5.040  -2.936   2.779
   87    HA   ILE   8           HA       ILE   8   5.248  -0.530   4.560
   88    HB   ILE   8           HB       ILE   8   3.999  -0.628   1.813
   89   1HG1  ILE   8          2HG1      ILE   8   6.928  -0.211   2.495
   90   2HG1  ILE   8          1HG1      ILE   8   6.258  -1.547   1.560
   91   1HG2  ILE   8          1HG2      ILE   8   3.537   1.420   2.874
   92   2HG2  ILE   8          2HG2      ILE   8   4.976   1.783   1.921
   93   3HG2  ILE   8          3HG2      ILE   8   5.118   1.479   3.653
   94   1HD1  ILE   8          1HD1      ILE   8   6.491   1.356   0.793
   95   2HD1  ILE   8          2HD1      ILE   8   5.287   0.321   0.024
   96   3HD1  ILE   8          3HD1      ILE   8   7.001  -0.071  -0.109
   97    H    GLY   9           H        GLY   9   2.977  -2.640   2.778
   98   1HA   GLY   9          2HA       GLY   9   0.808  -3.329   3.397
   99   2HA   GLY   9          1HA       GLY   9   1.046  -2.523   4.949
  100    H    ILE  10           H        ILE  10   0.330  -1.865   1.521
  101    HA   ILE  10           HA       ILE  10  -1.338   0.452   2.425
  102    HB   ILE  10           HB       ILE  10   0.785   0.312   0.270
  103   1HG1  ILE  10          2HG1      ILE  10   0.356   2.123   2.670
  104   2HG1  ILE  10          1HG1      ILE  10   1.562   0.842   2.544
  105   1HG2  ILE  10          1HG2      ILE  10  -0.073   2.862   0.129
  106   2HG2  ILE  10          2HG2      ILE  10  -1.596   2.078   0.551
  107   3HG2  ILE  10          3HG2      ILE  10  -0.724   1.587  -0.900
  108   1HD1  ILE  10          1HD1      ILE  10   2.682   1.997   0.727
  109   2HD1  ILE  10          2HD1      ILE  10   2.486   3.125   2.069
  110   3HD1  ILE  10          3HD1      ILE  10   1.412   3.221   0.672
  111    H    GLY  11           H        GLY  11  -0.605  -1.936  -0.097
  112   1HA   GLY  11          2HA       GLY  11  -2.598  -1.390  -1.974
  113   2HA   GLY  11          1HA       GLY  11  -2.054  -3.024  -1.595
  114    H    LYS  12           H        LYS  12  -3.026  -3.857   0.596
  115    HA   LYS  12           HA       LYS  12  -5.840  -4.081   0.323
  116   1HB   LYS  12          2HB       LYS  12  -5.680  -5.276   2.400
  117   2HB   LYS  12          1HB       LYS  12  -4.158  -5.551   1.551
  118   1HG   LYS  12          2HG       LYS  12  -3.474  -3.328   2.890
  119   2HG   LYS  12          1HG       LYS  12  -4.696  -3.946   4.003
  120   1HD   LYS  12          2HD       LYS  12  -3.338  -5.601   4.711
  121   2HD   LYS  12          1HD       LYS  12  -2.934  -6.064   3.056
  122   1HE   LYS  12          2HE       LYS  12  -0.895  -5.116   3.309
  123   2HE   LYS  12          1HE       LYS  12  -1.671  -3.547   3.603
  124   1HZ   LYS  12          1HZ       LYS  12  -0.280  -4.760   5.474
  125   2HZ   LYS  12          2HZ       LYS  12  -1.768  -5.535   5.744
  126   3HZ   LYS  12          3HZ       LYS  12  -1.657  -3.842   5.843
  127    H    PHE  13           H        PHE  13  -3.901  -1.703   2.070
  128    HA   PHE  13           HA       PHE  13  -6.019  -0.672   3.739
  129   1HB   PHE  13          2HB       PHE  13  -3.249  -0.106   3.020
  130   2HB   PHE  13          1HB       PHE  13  -4.182   1.376   3.224
  131    HD1  PHE  13           HD1      PHE  13  -3.346  -1.866   4.872
  132    HD2  PHE  13           HD2      PHE  13  -4.795   2.146   5.378
  133    HE1  PHE  13           HE1      PHE  13  -3.251  -2.144   7.336
  134    HE2  PHE  13           HE2      PHE  13  -4.700   1.869   7.840
  135    HZ   PHE  13           HZ       PHE  13  -3.927  -0.274   8.819
  136    H    LEU  14           H        LEU  14  -4.961  -0.003   0.430
  137    HA   LEU  14           HA       LEU  14  -6.596   2.391   0.114
  138   1HB   LEU  14          2HB       LEU  14  -4.460   1.545  -1.138
  139   2HB   LEU  14          1HB       LEU  14  -5.601   0.605  -2.102
  140    HG   LEU  14           HG       LEU  14  -6.838   2.675  -2.649
  141   1HD1  LEU  14          1HD1      LEU  14  -4.760   3.851  -0.818
  142   2HD1  LEU  14          2HD1      LEU  14  -6.501   4.133  -0.844
  143   3HD1  LEU  14          3HD1      LEU  14  -5.473   4.838  -2.093
  144   1HD2  LEU  14          1HD2      LEU  14  -3.855   2.832  -3.190
  145   2HD2  LEU  14          2HD2      LEU  14  -5.100   3.692  -4.097
  146   3HD2  LEU  14          3HD2      LEU  14  -5.031   1.930  -4.147
  147    H    HIS  15           H        HIS  15  -6.912  -1.042  -0.800
  148    HA   HIS  15           HA       HIS  15  -9.330  -0.919  -2.248
  149   1HB   HIS  15          2HB       HIS  15  -7.583  -2.802  -1.644
  150   2HB   HIS  15          1HB       HIS  15  -8.692  -3.118  -0.317
  151    HD1  HIS  15           HD1      HIS  15 -11.304  -3.451  -1.120
  152    HD2  HIS  15           HD2      HIS  15  -8.361  -3.990  -4.022
  153    HE1  HIS  15           HE1      HIS  15 -12.391  -4.738  -3.013
  154    H    SER  16           H        SER  16  -8.778  -1.421   1.187
  155    HA   SER  16           HA       SER  16 -11.341  -1.727   2.196
  156   1HB   SER  16          2HB       SER  16  -8.775  -1.029   3.124
  157   2HB   SER  16          1HB       SER  16  -9.860   0.209   3.754
  158    HG   SER  16           HG       SER  16 -10.374  -1.255   5.168
  159    H    ALA  17           H        ALA  17  -9.749   1.417   1.978
  160    HA   ALA  17           HA       ALA  17 -12.175   2.937   2.302
  161   1HB   ALA  17          1HB       ALA  17 -10.712   4.813   1.897
  162   2HB   ALA  17          2HB       ALA  17  -9.550   3.790   1.053
  163   3HB   ALA  17          3HB       ALA  17  -9.779   3.615   2.792
  164    H    LYS  18           H        LYS  18 -11.009   1.154  -0.313
  165    HA   LYS  18           HA       LYS  18 -11.923   2.898  -2.472
  166   1HB   LYS  18          2HB       LYS  18 -10.079   1.075  -2.435
  167   2HB   LYS  18          1HB       LYS  18 -11.408  -0.074  -2.594
  168   1HG   LYS  18          2HG       LYS  18 -11.037   2.267  -4.475
  169   2HG   LYS  18          1HG       LYS  18 -10.349   0.673  -4.784
  170   1HD   LYS  18          2HD       LYS  18 -13.017   0.174  -4.086
  171   2HD   LYS  18          1HD       LYS  18 -13.082   1.586  -5.143
  172   1HE   LYS  18          2HE       LYS  18 -12.541   0.350  -6.971
  173   2HE   LYS  18          1HE       LYS  18 -11.221  -0.469  -6.114
  174   1HZ   LYS  18          1HZ       LYS  18 -14.077  -1.161  -6.213
  175   2HZ   LYS  18          2HZ       LYS  18 -13.181  -1.559  -4.825
  176   3HZ   LYS  18          3HZ       LYS  18 -12.725  -2.175  -6.341
  177    H    LYS  19           H        LYS  19 -13.367   0.649  -0.332
  178    HA   LYS  19           HA       LYS  19 -15.775   0.393  -2.101
  179   1HB   LYS  19          2HB       LYS  19 -14.575  -1.255   0.130
  180   2HB   LYS  19          1HB       LYS  19 -16.244  -1.498  -0.388
  181   1HG   LYS  19          2HG       LYS  19 -14.061  -1.428  -2.449
  182   2HG   LYS  19          1HG       LYS  19 -14.318  -2.898  -1.509
  183   1HD   LYS  19          2HD       LYS  19 -16.322  -3.351  -2.511
  184   2HD   LYS  19          1HD       LYS  19 -16.765  -1.646  -2.623
  185   1HE   LYS  19          2HE       LYS  19 -15.316  -1.328  -4.547
  186   2HE   LYS  19          1HE       LYS  19 -14.668  -2.972  -4.379
  187   1HZ   LYS  19          1HZ       LYS  19 -16.753  -2.419  -5.921
  188   2HZ   LYS  19          2HZ       LYS  19 -17.569  -2.709  -4.459
  189   3HZ   LYS  19          3HZ       LYS  19 -16.569  -3.909  -5.130
  190    H    PHE  20           H        PHE  20 -14.579   1.647   0.934
  191    HA   PHE  20           HA       PHE  20 -17.161   2.996   1.415
  192   1HB   PHE  20          2HB       PHE  20 -16.164   0.605   2.856
  193   2HB   PHE  20          1HB       PHE  20 -16.743   1.910   3.890
  194    HD1  PHE  20           HD1      PHE  20 -19.074   2.744   3.679
  195    HD2  PHE  20           HD2      PHE  20 -17.669  -0.654   1.458
  196    HE1  PHE  20           HE1      PHE  20 -21.417   2.095   3.189
  197    HE2  PHE  20           HE2      PHE  20 -20.013  -1.302   0.967
  198    HZ   PHE  20           HZ       PHE  20 -21.887   0.073   1.832
  199   1HN   NH2  21          1HN       NH2  21 -13.958   2.196   2.860
  200   2HN   NH2  21          2HN       NH2  21 -13.612   3.776   3.366
  Start of MODEL    8
    1   1H    LYS   1          1H        LYS   1   5.366   4.865  10.700
    2   2H    LYS   1          2H        LYS   1   6.711   3.911  10.294
    3   3H    LYS   1          3H        LYS   1   6.158   3.965  11.900
    4    HA   LYS   1           HA       LYS   1   4.134   2.823  11.314
    5   1HB   LYS   1          2HB       LYS   1   5.032   3.836   8.740
    6   2HB   LYS   1          1HB       LYS   1   4.600   2.129   8.632
    7   1HG   LYS   1          2HG       LYS   1   2.390   2.533   9.016
    8   2HG   LYS   1          1HG       LYS   1   2.726   3.795  10.201
    9   1HD   LYS   1          2HD       LYS   1   3.286   5.367   8.395
   10   2HD   LYS   1          1HD       LYS   1   2.987   4.108   7.196
   11   1HE   LYS   1          2HE       LYS   1   0.726   4.380   9.022
   12   2HE   LYS   1          1HE       LYS   1   1.082   5.902   8.180
   13   1HZ   LYS   1          1HZ       LYS   1   1.241   4.629   6.100
   14   2HZ   LYS   1          2HZ       LYS   1  -0.309   4.535   6.787
   15   3HZ   LYS   1          3HZ       LYS   1   0.765   3.226   6.924
   16    H    LEU   2           H        LEU   2   6.223   1.838  12.629
   17    HA   LEU   2           HA       LEU   2   7.644  -0.037  12.944
   18   1HB   LEU   2          2HB       LEU   2   5.364  -1.078  11.232
   19   2HB   LEU   2          1HB       LEU   2   6.487  -2.115  12.110
   20    HG   LEU   2           HG       LEU   2   5.697  -0.342  14.063
   21   1HD1  LEU   2          1HD1      LEU   2   3.450  -0.785  12.098
   22   2HD1  LEU   2          2HD1      LEU   2   3.949   0.716  12.879
   23   3HD1  LEU   2          3HD1      LEU   2   3.120  -0.529  13.813
   24   1HD2  LEU   2          1HD2      LEU   2   5.228  -3.126  13.311
   25   2HD2  LEU   2          2HD2      LEU   2   3.892  -2.462  14.252
   26   3HD2  LEU   2          3HD2      LEU   2   5.530  -2.436  14.906
   27    H    LYS   3           H        LYS   3   8.464  -2.105  11.403
   28    HA   LYS   3           HA       LYS   3   9.488  -0.848   8.875
   29   1HB   LYS   3          2HB       LYS   3  10.837  -2.386  11.090
   30   2HB   LYS   3          1HB       LYS   3  11.551  -2.321   9.479
   31   1HG   LYS   3          2HG       LYS   3  11.969  -0.041   9.604
   32   2HG   LYS   3          1HG       LYS   3  10.666   0.241  10.758
   33   1HD   LYS   3          2HD       LYS   3  13.106  -1.383  11.487
   34   2HD   LYS   3          1HD       LYS   3  13.070   0.371  11.670
   35   1HE   LYS   3          2HE       LYS   3  10.863  -1.338  12.826
   36   2HE   LYS   3          1HE       LYS   3  12.364  -1.047  13.727
   37   1HZ   LYS   3          1HZ       LYS   3  11.947   1.159  13.910
   38   2HZ   LYS   3          2HZ       LYS   3  10.332   0.644  13.791
   39   3HZ   LYS   3          3HZ       LYS   3  11.135   1.254  12.423
   40    H    LEU   4           H        LEU   4   7.440  -3.139   9.919
   41    HA   LEU   4           HA       LEU   4   8.194  -5.042   7.724
   42   1HB   LEU   4          2HB       LEU   4   7.457  -6.848   9.218
   43   2HB   LEU   4          1HB       LEU   4   8.705  -5.887  10.015
   44    HG   LEU   4           HG       LEU   4   6.185  -4.667  10.567
   45   1HD1  LEU   4          1HD1      LEU   4   6.163  -7.630  10.522
   46   2HD1  LEU   4          2HD1      LEU   4   4.819  -6.493  10.433
   47   3HD1  LEU   4          3HD1      LEU   4   5.535  -6.890  11.994
   48   1HD2  LEU   4          1HD2      LEU   4   8.238  -4.603  11.962
   49   2HD2  LEU   4          2HD2      LEU   4   8.037  -6.319  12.318
   50   3HD2  LEU   4          3HD2      LEU   4   6.842  -5.153  12.889
   51    H    PHE   5           H        PHE   5   6.373  -2.866   7.392
   52    HA   PHE   5           HA       PHE   5   3.891  -4.384   6.847
   53   1HB   PHE   5          2HB       PHE   5   4.302  -2.538   9.024
   54   2HB   PHE   5          1HB       PHE   5   3.046  -1.930   7.944
   55    HD1  PHE   5           HD1      PHE   5   3.643  -4.006  10.710
   56    HD2  PHE   5           HD2      PHE   5   1.364  -3.836   7.073
   57    HE1  PHE   5           HE1      PHE   5   2.042  -5.655  11.638
   58    HE2  PHE   5           HE2      PHE   5  -0.238  -5.486   8.000
   59    HZ   PHE   5           HZ       PHE   5   0.101  -6.395  10.282
   60    H    LYS   6           H        LYS   6   5.827  -1.518   6.361
   61    HA   LYS   6           HA       LYS   6   4.223  -0.012   4.612
   62   1HB   LYS   6          2HB       LYS   6   6.312   0.965   3.931
   63   2HB   LYS   6          1HB       LYS   6   6.511   0.482   5.616
   64   1HG   LYS   6          2HG       LYS   6   7.579  -1.627   4.875
   65   2HG   LYS   6          1HG       LYS   6   7.418  -1.106   3.198
   66   1HD   LYS   6          2HD       LYS   6   8.975   0.359   5.350
   67   2HD   LYS   6          1HD       LYS   6   9.679  -0.615   4.059
   68   1HE   LYS   6          2HE       LYS   6   7.948   1.848   3.624
   69   2HE   LYS   6          1HE       LYS   6   9.714   1.795   3.461
   70   1HZ   LYS   6          1HZ       LYS   6   7.663   0.615   1.758
   71   2HZ   LYS   6          2HZ       LYS   6   9.054  -0.324   2.024
   72   3HZ   LYS   6          3HZ       LYS   6   9.189   1.229   1.347
   73    H    LYS   7           H        LYS   7   5.632  -3.136   4.094
   74    HA   LYS   7           HA       LYS   7   5.784  -3.022   1.200
   75   1HB   LYS   7          2HB       LYS   7   6.222  -4.883   3.401
   76   2HB   LYS   7          1HB       LYS   7   5.521  -5.676   1.991
   77   1HG   LYS   7          2HG       LYS   7   7.916  -3.832   1.814
   78   2HG   LYS   7          1HG       LYS   7   8.064  -5.577   2.029
   79   1HD   LYS   7          2HD       LYS   7   6.251  -5.332  -0.066
   80   2HD   LYS   7          1HD       LYS   7   7.426  -4.056  -0.383
   81   1HE   LYS   7          2HE       LYS   7   9.272  -5.700  -0.187
   82   2HE   LYS   7          1HE       LYS   7   8.082  -6.985   0.104
   83   1HZ   LYS   7          1HZ       LYS   7   7.476  -7.015  -2.035
   84   2HZ   LYS   7          2HZ       LYS   7   8.919  -6.174  -2.343
   85   3HZ   LYS   7          3HZ       LYS   7   7.459  -5.323  -2.163
   86    H    ILE   8           H        ILE   8   3.791  -5.287   2.982
   87    HA   ILE   8           HA       ILE   8   1.770  -5.410   0.911
   88    HB   ILE   8           HB       ILE   8   1.734  -6.358   3.792
   89   1HG1  ILE   8          2HG1      ILE   8   3.742  -7.020   2.305
   90   2HG1  ILE   8          1HG1      ILE   8   2.850  -8.325   3.085
   91   1HG2  ILE   8          1HG2      ILE   8   0.399  -8.221   2.324
   92   2HG2  ILE   8          2HG2      ILE   8  -0.010  -6.755   1.431
   93   3HG2  ILE   8          3HG2      ILE   8  -0.392  -6.877   3.149
   94   1HD1  ILE   8          1HD1      ILE   8   3.404  -8.193   0.391
   95   2HD1  ILE   8          2HD1      ILE   8   1.761  -7.554   0.462
   96   3HD1  ILE   8          3HD1      ILE   8   2.113  -9.157   1.107
   97    H    GLY   9           H        GLY   9   2.178  -3.427   3.751
   98   1HA   GLY   9          2HA       GLY   9  -0.552  -2.818   4.304
   99   2HA   GLY   9          1HA       GLY   9   0.813  -1.780   4.710
  100    H    ILE  10           H        ILE  10   1.560  -1.751   1.749
  101    HA   ILE  10           HA       ILE  10  -0.136   0.567   1.065
  102    HB   ILE  10           HB       ILE  10   2.189  -0.700  -0.410
  103   1HG1  ILE  10          2HG1      ILE  10   2.593  -0.104   2.056
  104   2HG1  ILE  10          1HG1      ILE  10   3.667   0.656   0.882
  105   1HG2  ILE  10          1HG2      ILE  10   0.785   1.967  -0.500
  106   2HG2  ILE  10          2HG2      ILE  10   1.180   0.884  -1.835
  107   3HG2  ILE  10          3HG2      ILE  10   2.456   1.807  -1.040
  108   1HD1  ILE  10          1HD1      ILE  10   2.607   2.164   2.710
  109   2HD1  ILE  10          2HD1      ILE  10   1.128   2.021   1.761
  110   3HD1  ILE  10          3HD1      ILE  10   2.570   2.737   1.042
  111    H    GLY  11           H        GLY  11  -1.669  -1.798   0.958
  112   1HA   GLY  11          2HA       GLY  11  -2.426  -1.771  -1.874
  113   2HA   GLY  11          1HA       GLY  11  -1.819  -3.326  -1.312
  114    H    LYS  12           H        LYS  12  -2.898  -3.557   1.202
  115    HA   LYS  12           HA       LYS  12  -5.661  -4.203   0.604
  116   1HB   LYS  12          2HB       LYS  12  -3.942  -5.346   2.151
  117   2HB   LYS  12          1HB       LYS  12  -4.352  -4.094   3.325
  118   1HG   LYS  12          2HG       LYS  12  -6.559  -4.835   3.544
  119   2HG   LYS  12          1HG       LYS  12  -6.541  -5.657   1.985
  120   1HD   LYS  12          2HD       LYS  12  -6.371  -7.456   3.467
  121   2HD   LYS  12          1HD       LYS  12  -4.677  -7.137   3.094
  122   1HE   LYS  12          2HE       LYS  12  -4.492  -7.116   5.394
  123   2HE   LYS  12          1HE       LYS  12  -5.035  -5.438   5.198
  124   1HZ   LYS  12          1HZ       LYS  12  -6.359  -7.153   6.693
  125   2HZ   LYS  12          2HZ       LYS  12  -7.077  -7.530   5.200
  126   3HZ   LYS  12          3HZ       LYS  12  -7.150  -5.944   5.806
  127    H    PHE  13           H        PHE  13  -4.070  -1.607   2.448
  128    HA   PHE  13           HA       PHE  13  -6.441  -0.555   3.683
  129   1HB   PHE  13          2HB       PHE  13  -3.731  -0.136   3.766
  130   2HB   PHE  13          1HB       PHE  13  -4.286   1.322   2.944
  131    HD1  PHE  13           HD1      PHE  13  -6.994   1.631   4.141
  132    HD2  PHE  13           HD2      PHE  13  -3.232   0.634   5.961
  133    HE1  PHE  13           HE1      PHE  13  -7.795   2.549   6.301
  134    HE2  PHE  13           HE2      PHE  13  -4.034   1.553   8.120
  135    HZ   PHE  13           HZ       PHE  13  -6.316   2.509   8.290
  136    H    LEU  14           H        LEU  14  -4.806   0.196   0.615
  137    HA   LEU  14           HA       LEU  14  -6.383   2.445  -0.144
  138   1HB   LEU  14          2HB       LEU  14  -4.390   0.666  -1.215
  139   2HB   LEU  14          1HB       LEU  14  -5.633   0.950  -2.436
  140    HG   LEU  14           HG       LEU  14  -5.243   3.465  -1.331
  141   1HD1  LEU  14          1HD1      LEU  14  -2.990   3.840  -0.939
  142   2HD1  LEU  14          2HD1      LEU  14  -2.482   2.475  -1.933
  143   3HD1  LEU  14          3HD1      LEU  14  -3.142   2.195  -0.321
  144   1HD2  LEU  14          1HD2      LEU  14  -4.698   4.020  -3.502
  145   2HD2  LEU  14          2HD2      LEU  14  -5.323   2.397  -3.793
  146   3HD2  LEU  14          3HD2      LEU  14  -3.583   2.665  -3.680
  147    H    HIS  15           H        HIS  15  -6.882  -1.043  -0.760
  148    HA   HIS  15           HA       HIS  15  -9.169  -0.750  -2.452
  149   1HB   HIS  15          2HB       HIS  15  -7.555  -2.737  -1.876
  150   2HB   HIS  15          1HB       HIS  15  -8.731  -3.068  -0.607
  151    HD1  HIS  15           HD1      HIS  15 -10.870  -1.693  -2.918
  152    HD2  HIS  15           HD2      HIS  15  -8.752  -5.287  -2.954
  153    HE1  HIS  15           HE1      HIS  15 -12.066  -3.214  -4.551
  154    H    SER  16           H        SER  16  -9.015  -1.707   0.945
  155    HA   SER  16           HA       SER  16 -11.773  -1.706   1.505
  156   1HB   SER  16          2HB       SER  16 -10.766  -1.033   3.875
  157   2HB   SER  16          1HB       SER  16 -10.458  -2.618   3.172
  158    HG   SER  16           HG       SER  16  -8.504  -1.732   3.774
  159    H    ALA  17           H        ALA  17  -9.713   0.956   0.871
  160    HA   ALA  17           HA       ALA  17 -11.277   2.966   2.309
  161   1HB   ALA  17          1HB       ALA  17  -9.735   4.252   0.406
  162   2HB   ALA  17          2HB       ALA  17  -8.852   2.747   0.658
  163   3HB   ALA  17          3HB       ALA  17  -9.184   3.814   2.023
  164    H    LYS  18           H        LYS  18 -10.994   1.839  -1.062
  165    HA   LYS  18           HA       LYS  18 -13.005   3.771  -2.006
  166   1HB   LYS  18          2HB       LYS  18 -10.932   2.086  -3.058
  167   2HB   LYS  18          1HB       LYS  18 -12.439   1.714  -3.896
  168   1HG   LYS  18          2HG       LYS  18 -11.610   4.575  -3.459
  169   2HG   LYS  18          1HG       LYS  18 -10.953   3.652  -4.812
  170   1HD   LYS  18          2HD       LYS  18 -12.857   3.919  -5.978
  171   2HD   LYS  18          1HD       LYS  18 -13.803   3.239  -4.652
  172   1HE   LYS  18          2HE       LYS  18 -14.622   5.301  -4.205
  173   2HE   LYS  18          1HE       LYS  18 -12.973   5.875  -3.886
  174   1HZ   LYS  18          1HZ       LYS  18 -12.686   6.561  -6.029
  175   2HZ   LYS  18          2HZ       LYS  18 -14.358   6.829  -5.885
  176   3HZ   LYS  18          3HZ       LYS  18 -13.782   5.435  -6.668
  177    H    LYS  19           H        LYS  19 -13.204   0.915  -0.312
  178    HA   LYS  19           HA       LYS  19 -15.863   0.272  -1.547
  179   1HB   LYS  19          2HB       LYS  19 -15.352  -2.084  -1.052
  180   2HB   LYS  19          1HB       LYS  19 -14.090  -1.380  -2.063
  181   1HG   LYS  19          2HG       LYS  19 -12.769  -2.382  -0.457
  182   2HG   LYS  19          1HG       LYS  19 -13.012  -0.813   0.309
  183   1HD   LYS  19          2HD       LYS  19 -13.682  -2.102   2.077
  184   2HD   LYS  19          1HD       LYS  19 -15.215  -2.099   1.206
  185   1HE   LYS  19          2HE       LYS  19 -13.330  -4.171   0.277
  186   2HE   LYS  19          1HE       LYS  19 -13.882  -4.383   1.950
  187   1HZ   LYS  19          1HZ       LYS  19 -15.442  -4.336  -0.527
  188   2HZ   LYS  19          2HZ       LYS  19 -16.154  -3.663   0.861
  189   3HZ   LYS  19          3HZ       LYS  19 -15.653  -5.286   0.862
  190    H    PHE  20           H        PHE  20 -14.424   1.525   1.164
  191    HA   PHE  20           HA       PHE  20 -16.799   0.942   2.813
  192   1HB   PHE  20          2HB       PHE  20 -14.334  -0.550   2.989
  193   2HB   PHE  20          1HB       PHE  20 -14.590   0.343   4.488
  194    HD1  PHE  20           HD1      PHE  20 -15.015  -2.765   3.319
  195    HD2  PHE  20           HD2      PHE  20 -17.457   0.430   4.832
  196    HE1  PHE  20           HE1      PHE  20 -16.737  -4.409   4.012
  197    HE2  PHE  20           HE2      PHE  20 -19.179  -1.216   5.525
  198    HZ   PHE  20           HZ       PHE  20 -18.818  -3.636   5.115
  199   1HN   NH2  21          1HN       NH2  21 -13.548   2.448   2.606
  200   2HN   NH2  21          2HN       NH2  21 -13.933   3.803   3.553
  Start of MODEL    9
    1   1H    LYS   1          1H        LYS   1   9.445  -3.368 -17.008
    2   2H    LYS   1          2H        LYS   1  10.652  -2.356 -16.369
    3   3H    LYS   1          3H        LYS   1   9.013  -2.011 -16.084
    4    HA   LYS   1           HA       LYS   1   9.974  -4.628 -15.199
    5   1HB   LYS   1          2HB       LYS   1  10.806  -1.927 -14.123
    6   2HB   LYS   1          1HB       LYS   1  10.815  -3.369 -13.108
    7   1HG   LYS   1          2HG       LYS   1  12.411  -4.463 -14.514
    8   2HG   LYS   1          1HG       LYS   1  12.225  -3.251 -15.783
    9   1HD   LYS   1          2HD       LYS   1  13.161  -2.469 -13.026
   10   2HD   LYS   1          1HD       LYS   1  14.300  -3.075 -14.230
   11   1HE   LYS   1          2HE       LYS   1  14.299  -1.090 -15.324
   12   2HE   LYS   1          1HE       LYS   1  12.525  -1.052 -15.364
   13   1HZ   LYS   1          1HZ       LYS   1  14.240  -0.356 -13.037
   14   2HZ   LYS   1          2HZ       LYS   1  12.542  -0.406 -13.016
   15   3HZ   LYS   1          3HZ       LYS   1  13.350   0.737 -13.980
   16    H    LEU   2           H        LEU   2   9.078  -4.632 -12.722
   17    HA   LEU   2           HA       LEU   2   6.252  -3.650 -12.902
   18   1HB   LEU   2          2HB       LEU   2   7.434  -5.836 -11.164
   19   2HB   LEU   2          1HB       LEU   2   5.730  -5.562 -11.526
   20    HG   LEU   2           HG       LEU   2   7.259  -5.820 -13.973
   21   1HD1  LEU   2          1HD1      LEU   2   7.375  -8.132 -12.010
   22   2HD1  LEU   2          2HD1      LEU   2   8.757  -7.208 -12.600
   23   3HD1  LEU   2          3HD1      LEU   2   7.832  -8.218 -13.712
   24   1HD2  LEU   2          1HD2      LEU   2   4.757  -6.092 -13.530
   25   2HD2  LEU   2          2HD2      LEU   2   5.148  -7.658 -12.818
   26   3HD2  LEU   2          3HD2      LEU   2   5.497  -7.351 -14.519
   27    H    LYS   3           H        LYS   3   5.437  -2.403 -11.183
   28    HA   LYS   3           HA       LYS   3   7.307  -1.868  -8.902
   29   1HB   LYS   3          2HB       LYS   3   6.084  -0.076 -10.936
   30   2HB   LYS   3          1HB       LYS   3   6.125   0.535  -9.281
   31   1HG   LYS   3          2HG       LYS   3   8.519   0.222  -9.151
   32   2HG   LYS   3          1HG       LYS   3   8.540  -0.611 -10.706
   33   1HD   LYS   3          2HD       LYS   3   7.358   1.688 -11.469
   34   2HD   LYS   3          1HD       LYS   3   8.321   2.294 -10.120
   35   1HE   LYS   3          2HE       LYS   3   9.558   0.504 -12.217
   36   2HE   LYS   3          1HE       LYS   3   9.465   2.262 -12.443
   37   1HZ   LYS   3          1HZ       LYS   3  10.811   0.754 -10.286
   38   2HZ   LYS   3          2HZ       LYS   3  10.355   2.376 -10.067
   39   3HZ   LYS   3          3HZ       LYS   3  11.455   1.957 -11.293
   40    H    LEU   4           H        LEU   4   5.492  -3.628  -8.236
   41    HA   LEU   4           HA       LEU   4   3.001  -2.263  -7.349
   42   1HB   LEU   4          2HB       LEU   4   2.239  -4.555  -6.954
   43   2HB   LEU   4          1HB       LEU   4   2.983  -4.469  -8.551
   44    HG   LEU   4           HG       LEU   4   5.066  -5.028  -6.704
   45   1HD1  LEU   4          1HD1      LEU   4   2.571  -5.993  -5.739
   46   2HD1  LEU   4          2HD1      LEU   4   4.182  -6.358  -5.120
   47   3HD1  LEU   4          3HD1      LEU   4   3.460  -7.384  -6.360
   48   1HD2  LEU   4          1HD2      LEU   4   5.574  -6.340  -8.466
   49   2HD2  LEU   4          2HD2      LEU   4   4.005  -5.955  -9.175
   50   3HD2  LEU   4          3HD2      LEU   4   4.179  -7.366  -8.130
   51    H    PHE   5           H        PHE   5   5.205  -1.288  -6.025
   52    HA   PHE   5           HA       PHE   5   6.106  -2.629  -3.708
   53   1HB   PHE   5          2HB       PHE   5   5.792   0.175  -4.665
   54   2HB   PHE   5          1HB       PHE   5   6.174  -0.060  -2.960
   55    HD1  PHE   5           HD1      PHE   5   8.312  -0.973  -2.258
   56    HD2  PHE   5           HD2      PHE   5   7.342  -0.591  -6.425
   57    HE1  PHE   5           HE1      PHE   5  10.686  -1.380  -2.848
   58    HE2  PHE   5           HE2      PHE   5   9.717  -0.997  -7.013
   59    HZ   PHE   5           HZ       PHE   5  11.389  -1.391  -5.226
   60    H    LYS   6           H        LYS   6   3.204  -0.755  -4.262
   61    HA   LYS   6           HA       LYS   6   2.228  -0.313  -1.684
   62   1HB   LYS   6          2HB       LYS   6   1.065  -0.895  -4.373
   63   2HB   LYS   6          1HB       LYS   6  -0.036  -0.901  -2.995
   64   1HG   LYS   6          2HG       LYS   6   0.206   1.350  -2.615
   65   2HG   LYS   6          1HG       LYS   6   1.884   1.366  -3.161
   66   1HD   LYS   6          2HD       LYS   6   0.123   0.659  -5.346
   67   2HD   LYS   6          1HD       LYS   6  -0.376   2.190  -4.625
   68   1HE   LYS   6          2HE       LYS   6   1.260   2.743  -6.305
   69   2HE   LYS   6          1HE       LYS   6   2.101   2.880  -4.748
   70   1HZ   LYS   6          1HZ       LYS   6   2.066   0.200  -5.777
   71   2HZ   LYS   6          2HZ       LYS   6   3.372   1.118  -5.199
   72   3HZ   LYS   6          3HZ       LYS   6   2.866   1.277  -6.813
   73    H    LYS   7           H        LYS   7   2.636  -3.366  -3.319
   74    HA   LYS   7           HA       LYS   7   0.754  -4.884  -1.715
   75   1HB   LYS   7          2HB       LYS   7   1.335  -5.764  -3.829
   76   2HB   LYS   7          1HB       LYS   7   3.055  -5.469  -3.573
   77   1HG   LYS   7          2HG       LYS   7   2.496  -7.878  -3.366
   78   2HG   LYS   7          1HG       LYS   7   3.122  -7.220  -1.854
   79   1HD   LYS   7          2HD       LYS   7   1.197  -8.519  -1.268
   80   2HD   LYS   7          1HD       LYS   7   0.700  -6.830  -1.166
   81   1HE   LYS   7          2HE       LYS   7  -0.072  -7.102  -3.627
   82   2HE   LYS   7          1HE       LYS   7   0.043  -8.845  -3.321
   83   1HZ   LYS   7          1HZ       LYS   7  -1.768  -8.789  -2.051
   84   2HZ   LYS   7          2HZ       LYS   7  -2.035  -7.200  -2.587
   85   3HZ   LYS   7          3HZ       LYS   7  -1.188  -7.479  -1.141
   86    H    ILE   8           H        ILE   8   3.813  -3.550  -1.075
   87    HA   ILE   8           HA       ILE   8   4.977  -5.511   0.652
   88    HB   ILE   8           HB       ILE   8   5.109  -2.482   0.556
   89   1HG1  ILE   8          2HG1      ILE   8   6.914  -4.658  -0.553
   90   2HG1  ILE   8          1HG1      ILE   8   5.827  -3.650  -1.502
   91   1HG2  ILE   8          1HG2      ILE   8   6.734  -4.525   2.084
   92   2HG2  ILE   8          2HG2      ILE   8   5.922  -3.091   2.713
   93   3HG2  ILE   8          3HG2      ILE   8   7.361  -2.921   1.708
   94   1HD1  ILE   8          1HD1      ILE   8   8.143  -2.789  -1.583
   95   2HD1  ILE   8          2HD1      ILE   8   8.140  -2.630   0.174
   96   3HD1  ILE   8          3HD1      ILE   8   7.059  -1.637  -0.804
   97    H    GLY   9           H        GLY   9   2.599  -2.932   1.247
   98   1HA   GLY   9          2HA       GLY   9   1.463  -4.247   3.516
   99   2HA   GLY   9          1HA       GLY   9   2.589  -3.016   4.085
  100    H    ILE  10           H        ILE  10   2.056  -1.243   1.781
  101    HA   ILE  10           HA       ILE  10  -0.519  -0.110   2.761
  102    HB   ILE  10           HB       ILE  10   1.727   1.022   1.053
  103   1HG1  ILE  10          2HG1      ILE  10   1.601   2.282   3.570
  104   2HG1  ILE  10          1HG1      ILE  10   1.461   0.555   3.902
  105   1HG2  ILE  10          1HG2      ILE  10   0.114   2.936   2.511
  106   2HG2  ILE  10          2HG2      ILE  10  -0.901   1.952   1.458
  107   3HG2  ILE  10          3HG2      ILE  10   0.451   2.859   0.782
  108   1HD1  ILE  10          1HD1      ILE  10   3.629   1.872   2.238
  109   2HD1  ILE  10          2HD1      ILE  10   3.478   0.138   2.521
  110   3HD1  ILE  10          3HD1      ILE  10   3.826   1.225   3.867
  111    H    GLY  11           H        GLY  11  -1.078  -2.262   1.214
  112   1HA   GLY  11          2HA       GLY  11  -1.840  -1.055  -1.415
  113   2HA   GLY  11          1HA       GLY  11  -1.267  -2.716  -1.301
  114    H    LYS  12           H        LYS  12  -2.659  -3.568   1.006
  115    HA   LYS  12           HA       LYS  12  -5.290  -4.033  -0.155
  116   1HB   LYS  12          2HB       LYS  12  -5.548  -5.507   1.743
  117   2HB   LYS  12          1HB       LYS  12  -3.883  -5.647   1.187
  118   1HG   LYS  12          2HG       LYS  12  -3.142  -5.026   3.214
  119   2HG   LYS  12          1HG       LYS  12  -4.019  -3.503   3.079
  120   1HD   LYS  12          2HD       LYS  12  -5.093  -4.371   4.927
  121   2HD   LYS  12          1HD       LYS  12  -6.093  -5.087   3.662
  122   1HE   LYS  12          2HE       LYS  12  -3.665  -6.645   4.349
  123   2HE   LYS  12          1HE       LYS  12  -4.901  -6.564   5.620
  124   1HZ   LYS  12          1HZ       LYS  12  -5.155  -8.334   3.788
  125   2HZ   LYS  12          2HZ       LYS  12  -5.662  -7.042   2.810
  126   3HZ   LYS  12          3HZ       LYS  12  -6.519  -7.426   4.226
  127    H    PHE  13           H        PHE  13  -3.973  -1.795   2.185
  128    HA   PHE  13           HA       PHE  13  -6.379  -1.110   3.588
  129   1HB   PHE  13          2HB       PHE  13  -3.742  -0.488   3.734
  130   2HB   PHE  13          1HB       PHE  13  -4.356   0.983   2.980
  131    HD1  PHE  13           HD1      PHE  13  -4.111  -0.924   6.045
  132    HD2  PHE  13           HD2      PHE  13  -6.288   2.211   4.075
  133    HE1  PHE  13           HE1      PHE  13  -4.988  -0.158   8.234
  134    HE2  PHE  13           HE2      PHE  13  -7.167   2.978   6.264
  135    HZ   PHE  13           HZ       PHE  13  -6.516   1.793   8.344
  136    H    LEU  14           H        LEU  14  -4.850   0.225   0.660
  137    HA   LEU  14           HA       LEU  14  -6.594   2.362   0.105
  138   1HB   LEU  14          2HB       LEU  14  -4.999   0.397  -1.524
  139   2HB   LEU  14          1HB       LEU  14  -5.980   1.615  -2.339
  140    HG   LEU  14           HG       LEU  14  -3.970   2.281  -0.176
  141   1HD1  LEU  14          1HD1      LEU  14  -2.306   2.501  -1.739
  142   2HD1  LEU  14          2HD1      LEU  14  -3.431   2.932  -3.028
  143   3HD1  LEU  14          3HD1      LEU  14  -3.233   1.243  -2.557
  144   1HD2  LEU  14          1HD2      LEU  14  -4.818   4.360  -0.367
  145   2HD2  LEU  14          2HD2      LEU  14  -6.044   3.733  -1.470
  146   3HD2  LEU  14          3HD2      LEU  14  -4.517   4.345  -2.105
  147    H    HIS  15           H        HIS  15  -6.966  -1.096  -0.695
  148    HA   HIS  15           HA       HIS  15  -9.319  -0.996  -2.234
  149   1HB   HIS  15          2HB       HIS  15  -7.767  -2.941  -1.572
  150   2HB   HIS  15          1HB       HIS  15  -8.738  -3.051  -0.106
  151    HD1  HIS  15           HD1      HIS  15 -11.442  -3.249  -0.598
  152    HD2  HIS  15           HD2      HIS  15  -8.875  -4.324  -3.700
  153    HE1  HIS  15           HE1      HIS  15 -12.810  -4.644  -2.207
  154    H    SER  16           H        SER  16  -9.181  -1.741   1.207
  155    HA   SER  16           HA       SER  16 -11.858  -1.602   1.895
  156   1HB   SER  16          2HB       SER  16  -9.470  -1.791   3.200
  157   2HB   SER  16          1HB       SER  16 -10.006  -0.199   3.729
  158    HG   SER  16           HG       SER  16 -11.863  -2.285   3.721
  159    H    ALA  17           H        ALA  17  -9.767   1.017   1.008
  160    HA   ALA  17           HA       ALA  17 -11.539   3.140   1.977
  161   1HB   ALA  17          1HB       ALA  17  -8.915   2.993   1.463
  162   2HB   ALA  17          2HB       ALA  17  -9.794   4.515   1.319
  163   3HB   ALA  17          3HB       ALA  17  -9.448   3.558  -0.121
  164    H    LYS  18           H        LYS  18 -11.012   1.364  -1.023
  165    HA   LYS  18           HA       LYS  18 -12.496   3.156  -2.737
  166   1HB   LYS  18          2HB       LYS  18 -10.847   0.978  -3.013
  167   2HB   LYS  18          1HB       LYS  18 -12.423   0.284  -3.398
  168   1HG   LYS  18          2HG       LYS  18 -12.114   1.137  -5.471
  169   2HG   LYS  18          1HG       LYS  18 -12.470   2.702  -4.741
  170   1HD   LYS  18          2HD       LYS  18 -10.167   3.211  -4.448
  171   2HD   LYS  18          1HD       LYS  18  -9.683   1.540  -4.739
  172   1HE   LYS  18          2HE       LYS  18  -9.198   2.773  -6.762
  173   2HE   LYS  18          1HE       LYS  18 -10.652   1.811  -7.095
  174   1HZ   LYS  18          1HZ       LYS  18 -11.225   3.974  -7.738
  175   2HZ   LYS  18          2HZ       LYS  18 -10.476   4.678  -6.385
  176   3HZ   LYS  18          3HZ       LYS  18 -11.919   3.802  -6.201
  177    H    LYS  19           H        LYS  19 -13.414   0.879  -0.360
  178    HA   LYS  19           HA       LYS  19 -16.266   1.120  -1.242
  179   1HB   LYS  19          2HB       LYS  19 -14.757  -1.127  -1.576
  180   2HB   LYS  19          1HB       LYS  19 -15.417  -1.416   0.034
  181   1HG   LYS  19          2HG       LYS  19 -16.875  -2.318  -1.786
  182   2HG   LYS  19          1HG       LYS  19 -17.688  -1.107  -0.792
  183   1HD   LYS  19          2HD       LYS  19 -17.557   0.539  -2.459
  184   2HD   LYS  19          1HD       LYS  19 -16.240  -0.281  -3.299
  185   1HE   LYS  19          2HE       LYS  19 -18.364  -0.551  -4.544
  186   2HE   LYS  19          1HE       LYS  19 -17.821  -2.120  -3.915
  187   1HZ   LYS  19          1HZ       LYS  19 -19.443  -2.172  -2.368
  188   2HZ   LYS  19          2HZ       LYS  19 -20.246  -1.121  -3.433
  189   3HZ   LYS  19          3HZ       LYS  19 -19.402  -0.499  -2.096
  190    H    PHE  20           H        PHE  20 -14.096   1.826   1.118
  191    HA   PHE  20           HA       PHE  20 -16.172   2.185   3.146
  192   1HB   PHE  20          2HB       PHE  20 -14.881  -0.285   2.994
  193   2HB   PHE  20          1HB       PHE  20 -14.017   0.562   4.276
  194    HD1  PHE  20           HD1      PHE  20 -17.143  -1.020   3.285
  195    HD2  PHE  20           HD2      PHE  20 -15.280   1.480   6.239
  196    HE1  PHE  20           HE1      PHE  20 -19.029  -1.449   4.838
  197    HE2  PHE  20           HE2      PHE  20 -17.166   1.051   7.793
  198    HZ   PHE  20           HZ       PHE  20 -19.040  -0.412   7.090
  199   1HN   NH2  21          1HN       NH2  21 -14.009   3.759   1.695
  200   2HN   NH2  21          2HN       NH2  21 -13.052   4.440   2.917
  Start of MODEL   10
    1   1H    LYS   1          1H        LYS   1   7.954 -15.488  -6.606
    2   2H    LYS   1          2H        LYS   1   8.741 -16.953  -6.957
    3   3H    LYS   1          3H        LYS   1   7.133 -16.960  -6.407
    4    HA   LYS   1           HA       LYS   1   8.168 -16.507  -9.082
    5   1HB   LYS   1          2HB       LYS   1   5.462 -17.292  -7.955
    6   2HB   LYS   1          1HB       LYS   1   6.073 -17.624  -9.576
    7   1HG   LYS   1          2HG       LYS   1   7.774 -18.598  -7.352
    8   2HG   LYS   1          1HG       LYS   1   6.219 -19.408  -7.531
    9   1HD   LYS   1          2HD       LYS   1   7.463 -20.670  -9.006
   10   2HD   LYS   1          1HD       LYS   1   6.929 -19.395 -10.104
   11   1HE   LYS   1          2HE       LYS   1   9.134 -18.186  -9.187
   12   2HE   LYS   1          1HE       LYS   1   9.638 -19.869  -8.936
   13   1HZ   LYS   1          1HZ       LYS   1   8.526 -20.121 -11.296
   14   2HZ   LYS   1          2HZ       LYS   1  10.152 -19.662 -11.130
   15   3HZ   LYS   1          3HZ       LYS   1   8.962 -18.486 -11.425
   16    H    LEU   2           H        LEU   2   6.031 -15.584 -10.430
   17    HA   LEU   2           HA       LEU   2   6.067 -12.797 -10.288
   18   1HB   LEU   2          2HB       LEU   2   5.103 -14.324 -12.059
   19   2HB   LEU   2          1HB       LEU   2   3.691 -14.533 -11.024
   20    HG   LEU   2           HG       LEU   2   4.510 -11.728 -11.508
   21   1HD1  LEU   2          1HD1      LEU   2   4.877 -12.470 -13.744
   22   2HD1  LEU   2          2HD1      LEU   2   3.239 -11.817 -13.734
   23   3HD1  LEU   2          3HD1      LEU   2   3.492 -13.560 -13.686
   24   1HD2  LEU   2          1HD2      LEU   2   2.187 -13.282 -10.765
   25   2HD2  LEU   2          2HD2      LEU   2   1.802 -12.237 -12.132
   26   3HD2  LEU   2          3HD2      LEU   2   2.436 -11.541 -10.642
   27    H    LYS   3           H        LYS   3   5.934 -12.116  -8.042
   28    HA   LYS   3           HA       LYS   3   3.147 -12.204  -6.943
   29   1HB   LYS   3          2HB       LYS   3   4.154 -12.592  -4.725
   30   2HB   LYS   3          1HB       LYS   3   4.646 -13.859  -5.850
   31   1HG   LYS   3          2HG       LYS   3   6.820 -13.284  -5.679
   32   2HG   LYS   3          1HG       LYS   3   6.455 -11.582  -5.964
   33   1HD   LYS   3          2HD       LYS   3   7.060 -11.288  -3.800
   34   2HD   LYS   3          1HD       LYS   3   5.473 -11.957  -3.422
   35   1HE   LYS   3          2HE       LYS   3   6.375 -13.876  -2.597
   36   2HE   LYS   3          1HE       LYS   3   7.480 -14.034  -3.976
   37   1HZ   LYS   3          1HZ       LYS   3   7.900 -12.736  -1.418
   38   2HZ   LYS   3          2HZ       LYS   3   8.448 -11.854  -2.761
   39   3HZ   LYS   3          3HZ       LYS   3   9.028 -13.424  -2.480
   40    H    LEU   4           H        LEU   4   3.494  -9.986  -8.218
   41    HA   LEU   4           HA       LEU   4   4.980  -7.964  -6.644
   42   1HB   LEU   4          2HB       LEU   4   4.993  -8.118  -9.155
   43   2HB   LEU   4          1HB       LEU   4   3.271  -7.740  -9.146
   44    HG   LEU   4           HG       LEU   4   3.800  -5.605  -7.944
   45   1HD1  LEU   4          1HD1      LEU   4   5.829  -5.493  -6.960
   46   2HD1  LEU   4          2HD1      LEU   4   6.494  -5.234  -8.574
   47   3HD1  LEU   4          3HD1      LEU   4   6.432  -6.861  -7.895
   48   1HD2  LEU   4          1HD2      LEU   4   3.708  -5.981 -10.535
   49   2HD2  LEU   4          2HD2      LEU   4   5.450  -5.716 -10.459
   50   3HD2  LEU   4          3HD2      LEU   4   4.341  -4.457  -9.915
   51    H    PHE   5           H        PHE   5   2.160  -9.432  -6.080
   52    HA   PHE   5           HA       PHE   5   0.740  -6.908  -5.327
   53   1HB   PHE   5          2HB       PHE   5  -0.082  -9.479  -6.557
   54   2HB   PHE   5          1HB       PHE   5  -1.207  -8.778  -5.395
   55    HD1  PHE   5           HD1      PHE   5  -1.790  -6.260  -5.687
   56    HD2  PHE   5           HD2      PHE   5  -0.028  -8.681  -8.768
   57    HE1  PHE   5           HE1      PHE   5  -2.557  -4.638  -7.400
   58    HE2  PHE   5           HE2      PHE   5  -0.796  -7.059 -10.480
   59    HZ   PHE   5           HZ       PHE   5  -2.060  -5.038  -9.796
   60    H    LYS   6           H        LYS   6   1.114 -10.302  -4.403
   61    HA   LYS   6           HA       LYS   6   0.015 -10.028  -1.761
   62   1HB   LYS   6          2HB       LYS   6   1.564 -11.997  -3.357
   63   2HB   LYS   6          1HB       LYS   6   1.671 -12.179  -1.606
   64   1HG   LYS   6          2HG       LYS   6  -1.026 -11.721  -1.997
   65   2HG   LYS   6          1HG       LYS   6  -0.595 -12.696  -3.401
   66   1HD   LYS   6          2HD       LYS   6  -0.885 -14.449  -1.973
   67   2HD   LYS   6          1HD       LYS   6   0.738 -14.030  -1.427
   68   1HE   LYS   6          2HE       LYS   6  -0.299 -13.913   0.626
   69   2HE   LYS   6          1HE       LYS   6  -0.744 -12.289   0.067
   70   1HZ   LYS   6          1HZ       LYS   6  -2.543 -14.128   0.758
   71   2HZ   LYS   6          2HZ       LYS   6  -2.402 -14.474  -0.899
   72   3HZ   LYS   6          3HZ       LYS   6  -2.849 -12.917  -0.389
   73    H    LYS   7           H        LYS   7   3.287  -9.633  -3.066
   74    HA   LYS   7           HA       LYS   7   4.589  -9.483  -0.475
   75   1HB   LYS   7          2HB       LYS   7   5.423  -9.948  -2.962
   76   2HB   LYS   7          1HB       LYS   7   5.685  -8.204  -2.949
   77   1HG   LYS   7          2HG       LYS   7   6.630  -9.617  -0.532
   78   2HG   LYS   7          1HG       LYS   7   7.498 -10.020  -2.014
   79   1HD   LYS   7          2HD       LYS   7   7.028  -7.225  -0.936
   80   2HD   LYS   7          1HD       LYS   7   8.559  -8.101  -0.906
   81   1HE   LYS   7          2HE       LYS   7   8.259  -8.290  -3.486
   82   2HE   LYS   7          1HE       LYS   7   7.094  -6.966  -3.286
   83   1HZ   LYS   7          1HZ       LYS   7   8.814  -5.794  -1.966
   84   2HZ   LYS   7          2HZ       LYS   7   9.248  -6.009  -3.593
   85   3HZ   LYS   7          3HZ       LYS   7   9.927  -7.001  -2.392
   86    H    ILE   8           H        ILE   8   2.449  -7.409  -1.976
   87    HA   ILE   8           HA       ILE   8   3.723  -4.864  -1.270
   88    HB   ILE   8           HB       ILE   8   0.833  -5.469  -1.946
   89   1HG1  ILE   8          2HG1      ILE   8   2.300  -6.560  -3.597
   90   2HG1  ILE   8          1HG1      ILE   8   1.502  -5.164  -4.309
   91   1HG2  ILE   8          1HG2      ILE   8   1.934  -3.122  -1.203
   92   2HG2  ILE   8          2HG2      ILE   8   0.626  -3.227  -2.381
   93   3HG2  ILE   8          3HG2      ILE   8   2.294  -3.074  -2.929
   94   1HD1  ILE   8          1HD1      ILE   8   3.622  -4.618  -4.963
   95   2HD1  ILE   8          2HD1      ILE   8   4.367  -5.590  -3.694
   96   3HD1  ILE   8          3HD1      ILE   8   3.742  -3.983  -3.323
   97    H    GLY   9           H        GLY   9   0.699  -6.454  -0.183
   98   1HA   GLY   9          2HA       GLY   9  -0.275  -6.555   1.951
   99   2HA   GLY   9          1HA       GLY   9   1.288  -6.086   2.617
  100    H    ILE  10           H        ILE  10   0.457  -3.849   0.280
  101    HA   ILE  10           HA       ILE  10  -0.711  -2.024   2.359
  102    HB   ILE  10           HB       ILE  10   0.999  -1.378  -0.063
  103   1HG1  ILE  10          2HG1      ILE  10   2.134  -1.035   2.636
  104   2HG1  ILE  10          1HG1      ILE  10   1.835  -2.717   2.193
  105   1HG2  ILE  10          1HG2      ILE  10   1.148   0.556   2.023
  106   2HG2  ILE  10          2HG2      ILE  10  -0.559   0.218   1.738
  107   3HG2  ILE  10          3HG2      ILE  10   0.467   0.755   0.408
  108   1HD1  ILE  10          1HD1      ILE  10   3.946  -0.987   1.300
  109   2HD1  ILE  10          2HD1      ILE  10   2.956  -1.445  -0.087
  110   3HD1  ILE  10          3HD1      ILE  10   3.689  -2.691   0.923
  111    H    GLY  11           H        GLY  11  -1.066  -3.369  -0.835
  112   1HA   GLY  11          2HA       GLY  11  -2.758  -1.403  -2.013
  113   2HA   GLY  11          1HA       GLY  11  -2.752  -3.113  -2.447
  114    H    LYS  12           H        LYS  12  -3.358  -3.703   0.514
  115    HA   LYS  12           HA       LYS  12  -6.274  -3.707   0.200
  116   1HB   LYS  12          2HB       LYS  12  -4.528  -5.418   1.265
  117   2HB   LYS  12          1HB       LYS  12  -4.856  -4.477   2.723
  118   1HG   LYS  12          2HG       LYS  12  -7.356  -4.976   1.449
  119   2HG   LYS  12          1HG       LYS  12  -6.483  -6.506   1.517
  120   1HD   LYS  12          2HD       LYS  12  -5.976  -5.494   4.009
  121   2HD   LYS  12          1HD       LYS  12  -7.602  -4.882   3.711
  122   1HE   LYS  12          2HE       LYS  12  -8.374  -6.934   4.300
  123   2HE   LYS  12          1HE       LYS  12  -7.650  -7.552   2.804
  124   1HZ   LYS  12          1HZ       LYS  12  -5.510  -7.239   4.426
  125   2HZ   LYS  12          2HZ       LYS  12  -6.319  -8.708   4.163
  126   3HZ   LYS  12          3HZ       LYS  12  -6.697  -7.759   5.519
  127    H    PHE  13           H        PHE  13  -3.875  -1.971   2.147
  128    HA   PHE  13           HA       PHE  13  -5.608  -0.772   4.061
  129   1HB   PHE  13          2HB       PHE  13  -2.921  -0.719   3.308
  130   2HB   PHE  13          1HB       PHE  13  -3.454   0.945   3.074
  131    HD1  PHE  13           HD1      PHE  13  -5.606   1.063   5.174
  132    HD2  PHE  13           HD2      PHE  13  -1.618  -0.530   5.295
  133    HE1  PHE  13           HE1      PHE  13  -5.531   1.435   7.625
  134    HE2  PHE  13           HE2      PHE  13  -1.545  -0.159   7.745
  135    HZ   PHE  13           HZ       PHE  13  -3.501   0.824   8.911
  136    H    LEU  14           H        LEU  14  -4.837   0.121   0.721
  137    HA   LEU  14           HA       LEU  14  -6.471   2.587   0.900
  138   1HB   LEU  14          2HB       LEU  14  -4.405   1.396  -0.817
  139   2HB   LEU  14          1HB       LEU  14  -5.676   2.219  -1.723
  140    HG   LEU  14           HG       LEU  14  -4.372   3.514   0.669
  141   1HD1  LEU  14          1HD1      LEU  14  -3.503   4.074  -2.156
  142   2HD1  LEU  14          2HD1      LEU  14  -2.751   2.763  -1.246
  143   3HD1  LEU  14          3HD1      LEU  14  -2.659   4.419  -0.646
  144   1HD2  LEU  14          1HD2      LEU  14  -6.440   4.526  -0.115
  145   2HD2  LEU  14          2HD2      LEU  14  -5.856   4.521  -1.779
  146   3HD2  LEU  14          3HD2      LEU  14  -5.097   5.568  -0.580
  147    H    HIS  15           H        HIS  15  -6.843  -0.728  -0.004
  148    HA   HIS  15           HA       HIS  15  -8.938  -0.401  -1.967
  149   1HB   HIS  15          2HB       HIS  15  -7.265  -2.349  -1.216
  150   2HB   HIS  15          1HB       HIS  15  -8.654  -2.807  -0.241
  151    HD1  HIS  15           HD1      HIS  15  -9.724  -4.669  -1.483
  152    HD2  HIS  15           HD2      HIS  15  -8.699  -1.529  -4.018
  153    HE1  HIS  15           HE1      HIS  15 -10.659  -5.260  -3.766
  154    H    SER  16           H        SER  16  -8.812  -1.036   1.478
  155    HA   SER  16           HA       SER  16 -11.520  -1.512   2.056
  156   1HB   SER  16          2HB       SER  16 -10.552  -1.593   4.099
  157   2HB   SER  16          1HB       SER  16  -9.088  -0.899   3.406
  158    HG   SER  16           HG       SER  16  -9.714   0.549   4.905
  159    H    ALA  17           H        ALA  17  -9.899   1.465   1.294
  160    HA   ALA  17           HA       ALA  17 -12.121   3.203   2.087
  161   1HB   ALA  17          1HB       ALA  17 -10.381   4.643   2.002
  162   2HB   ALA  17          2HB       ALA  17 -10.311   4.437   0.252
  163   3HB   ALA  17          3HB       ALA  17  -9.367   3.381   1.303
  164    H    LYS  18           H        LYS  18 -10.835   1.821  -0.923
  165    HA   LYS  18           HA       LYS  18 -12.780   3.177  -2.632
  166   1HB   LYS  18          2HB       LYS  18 -11.030   0.752  -3.151
  167   2HB   LYS  18          1HB       LYS  18 -11.698   1.849  -4.360
  168   1HG   LYS  18          2HG       LYS  18 -10.014   3.040  -2.198
  169   2HG   LYS  18          1HG       LYS  18  -9.196   2.121  -3.462
  170   1HD   LYS  18          2HD       LYS  18 -10.303   3.510  -5.182
  171   2HD   LYS  18          1HD       LYS  18 -11.096   4.442  -3.911
  172   1HE   LYS  18          2HE       LYS  18  -9.272   5.786  -3.867
  173   2HE   LYS  18          1HE       LYS  18  -8.341   4.407  -3.247
  174   1HZ   LYS  18          1HZ       LYS  18  -7.449   5.255  -5.363
  175   2HZ   LYS  18          2HZ       LYS  18  -8.929   4.903  -6.118
  176   3HZ   LYS  18          3HZ       LYS  18  -7.974   3.647  -5.487
  177    H    LYS  19           H        LYS  19 -13.116   0.740  -0.409
  178    HA   LYS  19           HA       LYS  19 -15.180  -0.723  -2.015
  179   1HB   LYS  19          2HB       LYS  19 -13.002  -1.626  -0.612
  180   2HB   LYS  19          1HB       LYS  19 -14.278  -1.775   0.597
  181   1HG   LYS  19          2HG       LYS  19 -14.393  -3.834  -0.524
  182   2HG   LYS  19          1HG       LYS  19 -15.642  -2.884  -1.331
  183   1HD   LYS  19          2HD       LYS  19 -13.726  -2.191  -2.960
  184   2HD   LYS  19          1HD       LYS  19 -12.894  -3.610  -2.321
  185   1HE   LYS  19          2HE       LYS  19 -14.714  -5.067  -3.009
  186   2HE   LYS  19          1HE       LYS  19 -15.693  -3.670  -3.502
  187   1HZ   LYS  19          1HZ       LYS  19 -12.971  -3.949  -4.567
  188   2HZ   LYS  19          2HZ       LYS  19 -14.330  -3.209  -5.267
  189   3HZ   LYS  19          3HZ       LYS  19 -14.201  -4.902  -5.239
  190    H    PHE  20           H        PHE  20 -14.653   1.363   0.711
  191    HA   PHE  20           HA       PHE  20 -17.575   1.324   1.287
  192   1HB   PHE  20          2HB       PHE  20 -15.357   0.327   2.961
  193   2HB   PHE  20          1HB       PHE  20 -16.466   1.411   3.800
  194    HD1  PHE  20           HD1      PHE  20 -18.810   0.824   4.122
  195    HD2  PHE  20           HD2      PHE  20 -16.129  -1.804   2.038
  196    HE1  PHE  20           HE1      PHE  20 -20.471  -1.009   4.298
  197    HE2  PHE  20           HE2      PHE  20 -17.788  -3.638   2.215
  198    HZ   PHE  20           HZ       PHE  20 -19.959  -3.241   3.345
  199   1HN   NH2  21          1HN       NH2  21 -14.385   2.875   1.756
  200   2HN   NH2  21          2HN       NH2  21 -14.991   4.438   2.007
  Start of MODEL   11
    1   1H    LYS   1          1H        LYS   1   1.223 -13.178  19.510
    2   2H    LYS   1          2H        LYS   1   1.512 -14.111  18.121
    3   3H    LYS   1          3H        LYS   1   0.307 -14.576  19.225
    4    HA   LYS   1           HA       LYS   1  -1.019 -13.587  17.664
    5   1HB   LYS   1          2HB       LYS   1  -1.664 -11.499  18.650
    6   2HB   LYS   1          1HB       LYS   1  -0.985 -12.459  19.964
    7   1HG   LYS   1          2HG       LYS   1   1.235 -11.323  19.516
    8   2HG   LYS   1          1HG       LYS   1   0.379 -10.241  18.420
    9   1HD   LYS   1          2HD       LYS   1  -1.027 -10.447  20.945
   10   2HD   LYS   1          1HD       LYS   1   0.646  -9.949  21.203
   11   1HE   LYS   1          2HE       LYS   1  -0.717  -8.607  18.935
   12   2HE   LYS   1          1HE       LYS   1  -1.334  -8.196  20.547
   13   1HZ   LYS   1          1HZ       LYS   1   0.534  -7.117  21.042
   14   2HZ   LYS   1          2HZ       LYS   1   0.974  -7.240  19.406
   15   3HZ   LYS   1          3HZ       LYS   1   1.513  -8.402  20.523
   16    H    LEU   2           H        LEU   2  -1.161 -11.155  16.476
   17    HA   LEU   2           HA       LEU   2   1.287 -10.131  15.360
   18   1HB   LEU   2          2HB       LEU   2   1.078 -12.565  14.511
   19   2HB   LEU   2          1HB       LEU   2  -0.245 -11.965  13.510
   20    HG   LEU   2           HG       LEU   2   1.371 -10.180  12.672
   21   1HD1  LEU   2          1HD1      LEU   2   3.818 -11.213  12.891
   22   2HD1  LEU   2          2HD1      LEU   2   3.156 -11.854  14.393
   23   3HD1  LEU   2          3HD1      LEU   2   3.181 -10.113  14.113
   24   1HD2  LEU   2          1HD2      LEU   2   1.241 -11.650  10.955
   25   2HD2  LEU   2          2HD2      LEU   2   1.226 -13.034  12.049
   26   3HD2  LEU   2          3HD2      LEU   2   2.759 -12.320  11.552
   27    H    LYS   3           H        LYS   3   0.466  -8.060  15.164
   28    HA   LYS   3           HA       LYS   3  -1.764  -7.633  13.260
   29   1HB   LYS   3          2HB       LYS   3  -1.945  -7.524  16.177
   30   2HB   LYS   3          1HB       LYS   3  -2.450  -6.011  15.421
   31   1HG   LYS   3          2HG       LYS   3  -4.340  -6.938  14.601
   32   2HG   LYS   3          1HG       LYS   3  -3.471  -8.351  14.001
   33   1HD   LYS   3          2HD       LYS   3  -3.839  -9.565  15.918
   34   2HD   LYS   3          1HD       LYS   3  -3.814  -8.137  16.952
   35   1HE   LYS   3          2HE       LYS   3  -6.061  -7.619  16.514
   36   2HE   LYS   3          1HE       LYS   3  -6.073  -8.529  14.991
   37   1HZ   LYS   3          1HZ       LYS   3  -6.893 -10.204  16.202
   38   2HZ   LYS   3          2HZ       LYS   3  -6.483  -9.470  17.678
   39   3HZ   LYS   3          3HZ       LYS   3  -5.327 -10.383  16.831
   40    H    LEU   4           H        LEU   4   1.197  -6.951  13.579
   41    HA   LEU   4           HA       LEU   4   0.953  -3.961  13.493
   42   1HB   LEU   4          2HB       LEU   4   3.190  -5.864  14.238
   43   2HB   LEU   4          1HB       LEU   4   3.448  -4.133  14.014
   44    HG   LEU   4           HG       LEU   4   1.367  -3.970  15.666
   45   1HD1  LEU   4          1HD1      LEU   4   0.742  -6.025  16.384
   46   2HD1  LEU   4          2HD1      LEU   4   2.214  -5.997  17.356
   47   3HD1  LEU   4          3HD1      LEU   4   2.218  -6.773  15.772
   48   1HD2  LEU   4          1HD2      LEU   4   3.972  -4.744  16.943
   49   2HD2  LEU   4          2HD2      LEU   4   2.900  -3.396  17.326
   50   3HD2  LEU   4          3HD2      LEU   4   3.922  -3.330  15.891
   51    H    PHE   5           H        PHE   5   0.785  -6.315  11.378
   52    HA   PHE   5           HA       PHE   5   2.910  -5.389   9.514
   53   1HB   PHE   5          2HB       PHE   5   1.260  -7.798   9.976
   54   2HB   PHE   5          1HB       PHE   5   1.567  -7.418   8.282
   55    HD1  PHE   5           HD1      PHE   5   2.877  -8.943  11.218
   56    HD2  PHE   5           HD2      PHE   5   4.052  -6.848   7.657
   57    HE1  PHE   5           HE1      PHE   5   5.170  -9.861  11.436
   58    HE2  PHE   5           HE2      PHE   5   6.346  -7.767   7.875
   59    HZ   PHE   5           HZ       PHE   5   6.905  -9.272   9.765
   60    H    LYS   6           H        LYS   6  -0.522  -5.416   9.997
   61    HA   LYS   6           HA       LYS   6  -1.692  -4.929   7.560
   62   1HB   LYS   6          2HB       LYS   6  -2.087  -4.098  10.346
   63   2HB   LYS   6          1HB       LYS   6  -2.817  -2.987   9.186
   64   1HG   LYS   6          2HG       LYS   6  -4.321  -4.548   8.427
   65   2HG   LYS   6          1HG       LYS   6  -3.215  -5.897   8.694
   66   1HD   LYS   6          2HD       LYS   6  -3.539  -5.457  11.203
   67   2HD   LYS   6          1HD       LYS   6  -4.902  -4.441  10.733
   68   1HE   LYS   6          2HE       LYS   6  -5.542  -6.600   9.285
   69   2HE   LYS   6          1HE       LYS   6  -4.616  -7.411  10.564
   70   1HZ   LYS   6          1HZ       LYS   6  -6.850  -5.490  10.961
   71   2HZ   LYS   6          2HZ       LYS   6  -5.910  -6.160  12.208
   72   3HZ   LYS   6          3HZ       LYS   6  -6.903  -7.158  11.257
   73    H    LYS   7           H        LYS   7   0.508  -2.749   9.256
   74    HA   LYS   7           HA       LYS   7  -0.063  -0.470   7.504
   75   1HB   LYS   7          2HB       LYS   7   0.935  -0.800  10.008
   76   2HB   LYS   7          1HB       LYS   7   2.435  -0.603   9.098
   77   1HG   LYS   7          2HG       LYS   7   1.535   1.477   8.091
   78   2HG   LYS   7          1HG       LYS   7   0.066   1.291   9.049
   79   1HD   LYS   7          2HD       LYS   7   1.493   1.333  11.121
   80   2HD   LYS   7          1HD       LYS   7   2.877   1.717  10.097
   81   1HE   LYS   7          2HE       LYS   7   1.503   3.695   9.213
   82   2HE   LYS   7          1HE       LYS   7   0.396   3.389  10.566
   83   1HZ   LYS   7          1HZ       LYS   7   3.208   3.340  11.248
   84   2HZ   LYS   7          2HZ       LYS   7   1.903   4.052  12.072
   85   3HZ   LYS   7          3HZ       LYS   7   2.632   4.861  10.767
   86    H    ILE   8           H        ILE   8   1.389  -3.310   6.802
   87    HA   ILE   8           HA       ILE   8   3.569  -2.069   5.161
   88    HB   ILE   8           HB       ILE   8   3.053  -4.899   6.121
   89   1HG1  ILE   8          2HG1      ILE   8   4.285  -2.595   7.326
   90   2HG1  ILE   8          1HG1      ILE   8   4.108  -4.212   7.996
   91   1HG2  ILE   8          1HG2      ILE   8   5.222  -3.713   4.373
   92   2HG2  ILE   8          2HG2      ILE   8   4.159  -5.073   4.011
   93   3HG2  ILE   8          3HG2      ILE   8   5.426  -5.244   5.225
   94   1HD1  ILE   8          1HD1      ILE   8   6.410  -3.111   6.370
   95   2HD1  ILE   8          2HD1      ILE   8   6.185  -4.842   6.624
   96   3HD1  ILE   8          3HD1      ILE   8   6.451  -3.777   8.003
   97    H    GLY   9           H        GLY   9   0.423  -3.223   4.948
   98   1HA   GLY   9          2HA       GLY   9   0.794  -4.029   2.095
   99   2HA   GLY   9          1HA       GLY   9  -0.519  -4.620   3.117
  100    H    ILE  10           H        ILE  10   0.830  -1.430   2.196
  101    HA   ILE  10           HA       ILE  10  -1.391   0.187   2.594
  102    HB   ILE  10           HB       ILE  10   0.595   0.134   0.298
  103   1HG1  ILE  10          2HG1      ILE  10   0.572   1.668   2.918
  104   2HG1  ILE  10          1HG1      ILE  10   1.564   0.248   2.587
  105   1HG2  ILE  10          1HG2      ILE  10  -1.638   1.934   0.939
  106   2HG2  ILE  10          2HG2      ILE  10  -0.717   1.775  -0.557
  107   3HG2  ILE  10          3HG2      ILE  10  -0.094   2.768   0.762
  108   1HD1  ILE  10          1HD1      ILE  10   2.828   2.363   2.252
  109   2HD1  ILE  10          2HD1      ILE  10   1.667   2.839   1.013
  110   3HD1  ILE  10          3HD1      ILE  10   2.696   1.429   0.763
  111    H    GLY  11           H        GLY  11  -0.986  -2.313   0.190
  112   1HA   GLY  11          2HA       GLY  11  -2.942  -1.471  -1.706
  113   2HA   GLY  11          1HA       GLY  11  -2.455  -3.146  -1.439
  114    H    LYS  12           H        LYS  12  -3.332  -3.927   0.887
  115    HA   LYS  12           HA       LYS  12  -6.147  -4.176   0.687
  116   1HB   LYS  12          2HB       LYS  12  -4.053  -5.173   2.227
  117   2HB   LYS  12          1HB       LYS  12  -5.072  -4.347   3.407
  118   1HG   LYS  12          2HG       LYS  12  -6.111  -6.341   1.373
  119   2HG   LYS  12          1HG       LYS  12  -5.715  -6.747   3.043
  120   1HD   LYS  12          2HD       LYS  12  -7.585  -4.466   2.460
  121   2HD   LYS  12          1HD       LYS  12  -8.186  -6.125   2.444
  122   1HE   LYS  12          2HE       LYS  12  -6.534  -5.165   4.776
  123   2HE   LYS  12          1HE       LYS  12  -8.268  -4.799   4.703
  124   1HZ   LYS  12          1HZ       LYS  12  -7.845  -7.467   3.900
  125   2HZ   LYS  12          2HZ       LYS  12  -8.730  -6.892   5.231
  126   3HZ   LYS  12          3HZ       LYS  12  -7.073  -7.225   5.391
  127    H    PHE  13           H        PHE  13  -4.177  -1.692   2.209
  128    HA   PHE  13           HA       PHE  13  -6.338  -0.544   3.797
  129   1HB   PHE  13          2HB       PHE  13  -3.513  -0.286   3.433
  130   2HB   PHE  13          1HB       PHE  13  -4.234   1.310   3.223
  131    HD1  PHE  13           HD1      PHE  13  -3.996  -1.601   5.523
  132    HD2  PHE  13           HD2      PHE  13  -5.170   2.506   5.068
  133    HE1  PHE  13           HE1      PHE  13  -4.304  -1.418   7.977
  134    HE2  PHE  13           HE2      PHE  13  -5.477   2.690   7.523
  135    HZ   PHE  13           HZ       PHE  13  -5.043   0.727   8.976
  136    H    LEU  14           H        LEU  14  -4.805   0.213   0.662
  137    HA   LEU  14           HA       LEU  14  -6.389   2.586   0.165
  138   1HB   LEU  14          2HB       LEU  14  -4.177   2.029  -0.855
  139   2HB   LEU  14          1HB       LEU  14  -4.947   0.711  -1.741
  140    HG   LEU  14           HG       LEU  14  -6.528   2.415  -2.728
  141   1HD1  LEU  14          1HD1      LEU  14  -6.539   4.369  -1.553
  142   2HD1  LEU  14          2HD1      LEU  14  -5.164   4.776  -2.581
  143   3HD1  LEU  14          3HD1      LEU  14  -4.894   4.135  -0.960
  144   1HD2  LEU  14          1HD2      LEU  14  -4.077   3.544  -3.706
  145   2HD2  LEU  14          2HD2      LEU  14  -5.100   2.326  -4.468
  146   3HD2  LEU  14          3HD2      LEU  14  -3.812   1.833  -3.369
  147    H    HIS  15           H        HIS  15  -6.598  -0.788  -1.029
  148    HA   HIS  15           HA       HIS  15  -8.901  -0.481  -2.648
  149   1HB   HIS  15          2HB       HIS  15  -7.168  -2.418  -2.193
  150   2HB   HIS  15          1HB       HIS  15  -8.368  -2.932  -1.014
  151    HD1  HIS  15           HD1      HIS  15 -10.936  -3.044  -2.094
  152    HD2  HIS  15           HD2      HIS  15  -7.722  -3.350  -4.733
  153    HE1  HIS  15           HE1      HIS  15 -11.853  -4.061  -4.226
  154    H    SER  16           H        SER  16  -8.610  -1.516   0.703
  155    HA   SER  16           HA       SER  16 -11.357  -1.832   1.313
  156   1HB   SER  16          2HB       SER  16  -9.865  -2.636   2.918
  157   2HB   SER  16          1HB       SER  16  -8.839  -1.209   2.816
  158    HG   SER  16           HG       SER  16 -10.616  -1.677   4.624
  159    H    ALA  17           H        ALA  17  -9.540   1.001   0.693
  160    HA   ALA  17           HA       ALA  17 -11.259   2.857   2.166
  161   1HB   ALA  17          1HB       ALA  17  -9.543   3.744  -0.102
  162   2HB   ALA  17          2HB       ALA  17  -8.721   2.913   1.220
  163   3HB   ALA  17          3HB       ALA  17  -9.646   4.380   1.540
  164    H    LYS  18           H        LYS  18 -10.971   1.666  -1.167
  165    HA   LYS  18           HA       LYS  18 -12.909   3.500  -2.296
  166   1HB   LYS  18          2HB       LYS  18 -12.149   0.755  -3.309
  167   2HB   LYS  18          1HB       LYS  18 -12.600   2.172  -4.259
  168   1HG   LYS  18          2HG       LYS  18 -10.497   3.238  -3.035
  169   2HG   LYS  18          1HG       LYS  18 -10.009   1.548  -2.897
  170   1HD   LYS  18          2HD       LYS  18 -11.018   2.447  -5.553
  171   2HD   LYS  18          1HD       LYS  18  -9.427   3.029  -5.063
  172   1HE   LYS  18          2HE       LYS  18  -8.544   0.832  -4.900
  173   2HE   LYS  18          1HE       LYS  18 -10.160   0.097  -4.870
  174   1HZ   LYS  18          1HZ       LYS  18 -10.554   0.834  -7.099
  175   2HZ   LYS  18          2HZ       LYS  18  -9.079  -0.009  -7.084
  176   3HZ   LYS  18          3HZ       LYS  18  -9.090   1.690  -7.139
  177    H    LYS  19           H        LYS  19 -13.088   0.542  -0.541
  178    HA   LYS  19           HA       LYS  19 -16.030   0.348  -1.099
  179   1HB   LYS  19          2HB       LYS  19 -14.101  -1.486  -1.624
  180   2HB   LYS  19          1HB       LYS  19 -14.510  -1.946   0.029
  181   1HG   LYS  19          2HG       LYS  19 -16.348  -2.991  -0.730
  182   2HG   LYS  19          1HG       LYS  19 -16.958  -1.450  -1.336
  183   1HD   LYS  19          2HD       LYS  19 -15.220  -1.955  -3.298
  184   2HD   LYS  19          1HD       LYS  19 -15.511  -3.621  -2.792
  185   1HE   LYS  19          2HE       LYS  19 -17.738  -1.657  -3.433
  186   2HE   LYS  19          1HE       LYS  19 -17.100  -2.844  -4.588
  187   1HZ   LYS  19          1HZ       LYS  19 -17.522  -4.582  -2.922
  188   2HZ   LYS  19          2HZ       LYS  19 -18.953  -3.804  -3.408
  189   3HZ   LYS  19          3HZ       LYS  19 -18.245  -3.430  -1.908
  190    H    PHE  20           H        PHE  20 -13.786   1.286   1.189
  191    HA   PHE  20           HA       PHE  20 -15.783   1.206   3.353
  192   1HB   PHE  20          2HB       PHE  20 -14.283  -0.997   3.072
  193   2HB   PHE  20          1HB       PHE  20 -13.130  -0.022   3.984
  194    HD1  PHE  20           HD1      PHE  20 -13.153  -0.900   6.167
  195    HD2  PHE  20           HD2      PHE  20 -16.864  -0.091   4.161
  196    HE1  PHE  20           HE1      PHE  20 -14.391  -1.390   8.259
  197    HE2  PHE  20           HE2      PHE  20 -18.102  -0.579   6.253
  198    HZ   PHE  20           HZ       PHE  20 -16.866  -1.229   8.303
  199   1HN   NH2  21          1HN       NH2  21 -13.765   3.066   1.733
  200   2HN   NH2  21          2HN       NH2  21 -13.045   3.989   2.961
  Start of MODEL   12
    1   1H    LYS   1          1H        LYS   1  14.243   0.531   7.821
    2   2H    LYS   1          2H        LYS   1  15.648   0.316   8.752
    3   3H    LYS   1          3H        LYS   1  14.117   0.200   9.480
    4    HA   LYS   1           HA       LYS   1  15.569  -1.770   7.891
    5   1HB   LYS   1          2HB       LYS   1  13.900  -1.454  10.338
    6   2HB   LYS   1          1HB       LYS   1  13.845  -3.029   9.547
    7   1HG   LYS   1          2HG       LYS   1  16.572  -2.157   9.626
    8   2HG   LYS   1          1HG       LYS   1  15.890  -1.995  11.244
    9   1HD   LYS   1          2HD       LYS   1  15.779  -4.491   9.524
   10   2HD   LYS   1          1HD       LYS   1  16.835  -4.248  10.914
   11   1HE   LYS   1          2HE       LYS   1  14.197  -3.624  11.784
   12   2HE   LYS   1          1HE       LYS   1  14.106  -5.160  10.903
   13   1HZ   LYS   1          1HZ       LYS   1  15.538  -4.517  13.347
   14   2HZ   LYS   1          2HZ       LYS   1  16.398  -5.467  12.231
   15   3HZ   LYS   1          3HZ       LYS   1  14.899  -5.998  12.826
   16    H    LEU   2           H        LEU   2  14.358  -3.438   6.740
   17    HA   LEU   2           HA       LEU   2  12.662  -4.206   5.281
   18   1HB   LEU   2          2HB       LEU   2  11.495  -3.265   7.636
   19   2HB   LEU   2          1HB       LEU   2  10.566  -2.477   6.361
   20    HG   LEU   2           HG       LEU   2  11.179  -5.436   6.312
   21   1HD1  LEU   2          1HD1      LEU   2   9.097  -3.908   7.806
   22   2HD1  LEU   2          2HD1      LEU   2   9.858  -5.449   8.201
   23   3HD1  LEU   2          3HD1      LEU   2   8.579  -5.381   6.988
   24   1HD2  LEU   2          1HD2      LEU   2   8.842  -5.067   4.996
   25   2HD2  LEU   2          2HD2      LEU   2  10.413  -4.965   4.200
   26   3HD2  LEU   2          3HD2      LEU   2   9.589  -3.494   4.718
   27    H    LYS   3           H        LYS   3  12.048  -3.540   3.219
   28    HA   LYS   3           HA       LYS   3  11.791  -0.599   2.717
   29   1HB   LYS   3          2HB       LYS   3  13.340  -0.776   0.891
   30   2HB   LYS   3          1HB       LYS   3  14.098  -1.604   2.251
   31   1HG   LYS   3          2HG       LYS   3  13.075  -3.756   1.348
   32   2HG   LYS   3          1HG       LYS   3  12.677  -2.848  -0.111
   33   1HD   LYS   3          2HD       LYS   3  15.341  -2.197   0.355
   34   2HD   LYS   3          1HD       LYS   3  15.253  -3.912   0.762
   35   1HE   LYS   3          2HE       LYS   3  13.863  -3.049  -1.739
   36   2HE   LYS   3          1HE       LYS   3  15.636  -3.107  -1.767
   37   1HZ   LYS   3          1HZ       LYS   3  14.611  -5.272  -2.300
   38   2HZ   LYS   3          2HZ       LYS   3  13.893  -5.292  -0.760
   39   3HZ   LYS   3          3HZ       LYS   3  15.585  -5.336  -0.913
   40    H    LEU   4           H        LEU   4  10.184  -3.405   2.638
   41    HA   LEU   4           HA       LEU   4   8.915  -2.910  -0.036
   42   1HB   LEU   4          2HB       LEU   4   9.752  -5.254   1.507
   43   2HB   LEU   4          1HB       LEU   4   8.087  -5.384   0.941
   44    HG   LEU   4           HG       LEU   4  10.155  -4.411  -0.988
   45   1HD1  LEU   4          1HD1      LEU   4  10.495  -6.887  -1.588
   46   2HD1  LEU   4          2HD1      LEU   4   9.855  -7.245   0.015
   47   3HD1  LEU   4          3HD1      LEU   4  11.334  -6.300  -0.153
   48   1HD2  LEU   4          1HD2      LEU   4   7.443  -5.093  -1.069
   49   2HD2  LEU   4          2HD2      LEU   4   8.257  -6.463  -1.823
   50   3HD2  LEU   4          3HD2      LEU   4   8.493  -4.836  -2.462
   51    H    PHE   5           H        PHE   5   8.367  -1.594   2.671
   52    HA   PHE   5           HA       PHE   5   5.849  -2.606   3.652
   53   1HB   PHE   5          2HB       PHE   5   7.761  -0.524   4.186
   54   2HB   PHE   5          1HB       PHE   5   6.135   0.160   4.206
   55    HD1  PHE   5           HD1      PHE   5   7.274  -3.285   5.108
   56    HD2  PHE   5           HD2      PHE   5   5.604   0.426   6.489
   57    HE1  PHE   5           HE1      PHE   5   6.867  -4.296   7.337
   58    HE2  PHE   5           HE2      PHE   5   5.199  -0.587   8.717
   59    HZ   PHE   5           HZ       PHE   5   5.829  -2.948   9.140
   60    H    LYS   6           H        LYS   6   6.736  -0.543   1.030
   61    HA   LYS   6           HA       LYS   6   4.262   0.889   0.709
   62   1HB   LYS   6          2HB       LYS   6   5.248   1.594  -1.321
   63   2HB   LYS   6          1HB       LYS   6   6.638   1.231  -0.299
   64   1HG   LYS   6          2HG       LYS   6   7.287   0.007  -2.123
   65   2HG   LYS   6          1HG       LYS   6   6.239  -1.210  -1.392
   66   1HD   LYS   6          2HD       LYS   6   4.714  -1.051  -3.057
   67   2HD   LYS   6          1HD       LYS   6   4.772   0.713  -3.049
   68   1HE   LYS   6          2HE       LYS   6   7.124  -0.786  -4.165
   69   2HE   LYS   6          1HE       LYS   6   5.665  -0.613  -5.160
   70   1HZ   LYS   6          1HZ       LYS   6   5.905   1.607  -5.297
   71   2HZ   LYS   6          2HZ       LYS   6   7.536   1.285  -4.950
   72   3HZ   LYS   6          3HZ       LYS   6   6.477   1.762  -3.709
   73    H    LYS   7           H        LYS   7   5.278  -2.350  -0.142
   74    HA   LYS   7           HA       LYS   7   3.367  -2.959  -2.171
   75   1HB   LYS   7          2HB       LYS   7   5.222  -4.307  -0.351
   76   2HB   LYS   7          1HB       LYS   7   3.806  -5.286  -0.738
   77   1HG   LYS   7          2HG       LYS   7   4.844  -3.939  -3.100
   78   2HG   LYS   7          1HG       LYS   7   6.074  -4.951  -2.341
   79   1HD   LYS   7          2HD       LYS   7   5.094  -6.768  -3.233
   80   2HD   LYS   7          1HD       LYS   7   3.644  -6.425  -2.288
   81   1HE   LYS   7          2HE       LYS   7   3.454  -4.588  -4.353
   82   2HE   LYS   7          1HE       LYS   7   4.121  -6.022  -5.158
   83   1HZ   LYS   7          1HZ       LYS   7   2.365  -7.169  -3.547
   84   2HZ   LYS   7          2HZ       LYS   7   1.962  -6.662  -5.118
   85   3HZ   LYS   7          3HZ       LYS   7   1.571  -5.689  -3.782
   86    H    ILE   8           H        ILE   8   3.121  -4.624   0.876
   87    HA   ILE   8           HA       ILE   8   0.202  -4.546   0.804
   88    HB   ILE   8           HB       ILE   8   2.045  -5.468   3.027
   89   1HG1  ILE   8          2HG1      ILE   8   1.294  -6.812   0.418
   90   2HG1  ILE   8          1HG1      ILE   8   2.915  -6.485   1.032
   91   1HG2  ILE   8          1HG2      ILE   8   0.251  -6.974   3.570
   92   2HG2  ILE   8          2HG2      ILE   8  -0.609  -6.578   2.081
   93   3HG2  ILE   8          3HG2      ILE   8  -0.470  -5.376   3.365
   94   1HD1  ILE   8          1HD1      ILE   8   0.893  -8.418   2.201
   95   2HD1  ILE   8          2HD1      ILE   8   2.433  -8.013   2.960
   96   3HD1  ILE   8          3HD1      ILE   8   2.408  -8.835   1.400
   97    H    GLY   9           H        GLY   9   2.768  -2.953   2.672
   98   1HA   GLY   9          2HA       GLY   9   1.347  -1.854   4.794
   99   2HA   GLY   9          1HA       GLY   9   2.649  -0.991   3.976
  100    H    ILE  10           H        ILE  10   1.341  -0.786   1.411
  101    HA   ILE  10           HA       ILE  10  -0.994   0.973   2.084
  102    HB   ILE  10           HB       ILE  10   1.324   1.505   0.198
  103   1HG1  ILE  10          2HG1      ILE  10   0.581   3.040   2.695
  104   2HG1  ILE  10          1HG1      ILE  10   1.684   1.664   2.750
  105   1HG2  ILE  10          1HG2      ILE  10  -0.097   2.943  -0.799
  106   2HG2  ILE  10          2HG2      ILE  10  -0.126   3.857   0.710
  107   3HG2  ILE  10          3HG2      ILE  10  -1.347   2.622   0.403
  108   1HD1  ILE  10          1HD1      ILE  10   3.030   3.648   2.505
  109   2HD1  ILE  10          2HD1      ILE  10   2.031   4.226   1.173
  110   3HD1  ILE  10          3HD1      ILE  10   3.053   2.804   0.958
  111    H    GLY  11           H        GLY  11  -1.100  -1.743   1.083
  112   1HA   GLY  11          2HA       GLY  11  -2.163  -1.220  -1.665
  113   2HA   GLY  11          1HA       GLY  11  -1.329  -2.720  -1.258
  114    H    LYS  12           H        LYS  12  -2.544  -2.882   1.412
  115    HA   LYS  12           HA       LYS  12  -5.033  -4.222   0.638
  116   1HB   LYS  12          2HB       LYS  12  -3.112  -4.138   2.825
  117   2HB   LYS  12          1HB       LYS  12  -4.769  -4.148   3.430
  118   1HG   LYS  12          2HG       LYS  12  -5.234  -6.098   1.904
  119   2HG   LYS  12          1HG       LYS  12  -3.511  -6.143   1.528
  120   1HD   LYS  12          2HD       LYS  12  -3.051  -7.221   3.450
  121   2HD   LYS  12          1HD       LYS  12  -3.930  -6.017   4.395
  122   1HE   LYS  12          2HE       LYS  12  -6.071  -7.236   3.483
  123   2HE   LYS  12          1HE       LYS  12  -4.951  -8.582   3.191
  124   1HZ   LYS  12          1HZ       LYS  12  -5.718  -8.805   5.411
  125   2HZ   LYS  12          2HZ       LYS  12  -5.442  -7.163   5.752
  126   3HZ   LYS  12          3HZ       LYS  12  -4.131  -8.216   5.510
  127    H    PHE  13           H        PHE  13  -4.128  -1.386   2.605
  128    HA   PHE  13           HA       PHE  13  -6.765  -0.737   3.519
  129   1HB   PHE  13          2HB       PHE  13  -4.073   0.284   3.573
  130   2HB   PHE  13          1HB       PHE  13  -5.190   1.607   3.236
  131    HD1  PHE  13           HD1      PHE  13  -3.579   0.049   5.837
  132    HD2  PHE  13           HD2      PHE  13  -7.545   1.221   4.675
  133    HE1  PHE  13           HE1      PHE  13  -4.266   0.085   8.219
  134    HE2  PHE  13           HE2      PHE  13  -8.232   1.255   7.058
  135    HZ   PHE  13           HZ       PHE  13  -6.593   0.687   8.830
  136    H    LEU  14           H        LEU  14  -5.150  -0.203   0.468
  137    HA   LEU  14           HA       LEU  14  -6.580   2.044  -0.521
  138   1HB   LEU  14          2HB       LEU  14  -4.633   0.297  -1.374
  139   2HB   LEU  14          1HB       LEU  14  -5.978  -0.102  -2.444
  140    HG   LEU  14           HG       LEU  14  -4.750   2.636  -2.013
  141   1HD1  LEU  14          1HD1      LEU  14  -5.066   1.071  -4.579
  142   2HD1  LEU  14          2HD1      LEU  14  -3.644   0.897  -3.551
  143   3HD1  LEU  14          3HD1      LEU  14  -4.025   2.461  -4.272
  144   1HD2  LEU  14          1HD2      LEU  14  -6.982   1.981  -3.936
  145   2HD2  LEU  14          2HD2      LEU  14  -6.456   3.562  -3.359
  146   3HD2  LEU  14          3HD2      LEU  14  -7.333   2.477  -2.280
  147    H    HIS  15           H        HIS  15  -7.285  -1.425  -1.182
  148    HA   HIS  15           HA       HIS  15  -9.763  -0.958  -2.498
  149   1HB   HIS  15          2HB       HIS  15  -8.096  -3.013  -2.155
  150   2HB   HIS  15          1HB       HIS  15  -9.259  -3.420  -0.903
  151    HD1  HIS  15           HD1      HIS  15 -11.552  -1.929  -2.847
  152    HD2  HIS  15           HD2      HIS  15  -9.209  -5.283  -3.640
  153    HE1  HIS  15           HE1      HIS  15 -12.756  -3.231  -4.656
  154    H    SER  16           H        SER  16  -9.038  -1.823   0.839
  155    HA   SER  16           HA       SER  16 -11.726  -1.922   1.802
  156   1HB   SER  16          2HB       SER  16 -10.457  -1.402   4.016
  157   2HB   SER  16          1HB       SER  16 -10.030  -2.870   3.142
  158    HG   SER  16           HG       SER  16  -8.115  -2.069   2.878
  159    H    ALA  17           H        ALA  17  -9.866   0.715   0.740
  160    HA   ALA  17           HA       ALA  17 -11.436   2.684   2.345
  161   1HB   ALA  17          1HB       ALA  17  -8.893   2.718   2.140
  162   2HB   ALA  17          2HB       ALA  17  -9.699   4.226   1.711
  163   3HB   ALA  17          3HB       ALA  17  -9.119   3.144   0.445
  164    H    LYS  18           H        LYS  18 -10.798   1.586  -0.963
  165    HA   LYS  18           HA       LYS  18 -12.278   3.688  -2.286
  166   1HB   LYS  18          2HB       LYS  18 -10.523   1.826  -3.065
  167   2HB   LYS  18          1HB       LYS  18 -12.001   0.932  -3.419
  168   1HG   LYS  18          2HG       LYS  18 -12.799   2.694  -4.874
  169   2HG   LYS  18          1HG       LYS  18 -11.463   3.746  -4.405
  170   1HD   LYS  18          2HD       LYS  18  -9.879   2.478  -5.582
  171   2HD   LYS  18          1HD       LYS  18 -10.905   1.044  -5.606
  172   1HE   LYS  18          2HE       LYS  18 -11.218   1.781  -7.791
  173   2HE   LYS  18          1HE       LYS  18 -12.511   2.697  -6.992
  174   1HZ   LYS  18          1HZ       LYS  18  -9.997   3.630  -8.069
  175   2HZ   LYS  18          2HZ       LYS  18 -10.342   4.220  -6.514
  176   3HZ   LYS  18          3HZ       LYS  18 -11.435   4.483  -7.787
  177    H    LYS  19           H        LYS  19 -13.217   1.045  -0.385
  178    HA   LYS  19           HA       LYS  19 -16.035   1.273  -1.384
  179   1HB   LYS  19          2HB       LYS  19 -14.529  -0.835  -1.938
  180   2HB   LYS  19          1HB       LYS  19 -14.930  -1.290  -0.281
  181   1HG   LYS  19          2HG       LYS  19 -16.785  -2.203  -1.244
  182   2HG   LYS  19          1HG       LYS  19 -17.384  -0.544  -1.205
  183   1HD   LYS  19          2HD       LYS  19 -16.275  -0.246  -3.494
  184   2HD   LYS  19          1HD       LYS  19 -16.099  -2.002  -3.520
  185   1HE   LYS  19          2HE       LYS  19 -18.505  -2.310  -3.348
  186   2HE   LYS  19          1HE       LYS  19 -18.748  -0.565  -3.124
  187   1HZ   LYS  19          1HZ       LYS  19 -17.402  -0.377  -5.289
  188   2HZ   LYS  19          2HZ       LYS  19 -19.036  -0.833  -5.395
  189   3HZ   LYS  19          3HZ       LYS  19 -17.813  -2.006  -5.526
  190    H    PHE  20           H        PHE  20 -13.871   1.409   1.268
  191    HA   PHE  20           HA       PHE  20 -16.167   1.618   3.151
  192   1HB   PHE  20          2HB       PHE  20 -13.975  -0.402   3.090
  193   2HB   PHE  20          1HB       PHE  20 -14.419   0.234   4.674
  194    HD1  PHE  20           HD1      PHE  20 -15.289  -2.056   2.054
  195    HD2  PHE  20           HD2      PHE  20 -16.921   0.227   5.306
  196    HE1  PHE  20           HE1      PHE  20 -17.290  -3.522   2.079
  197    HE2  PHE  20           HE2      PHE  20 -18.921  -1.239   5.331
  198    HZ   PHE  20           HZ       PHE  20 -19.106  -3.113   3.716
  199   1HN   NH2  21          1HN       NH2  21 -13.600   3.149   1.856
  200   2HN   NH2  21          2HN       NH2  21 -13.020   4.016   3.192
  Start of MODEL   13
    1   1H    LYS   1          1H        LYS   1  12.418  -6.515  17.789
    2   2H    LYS   1          2H        LYS   1  12.192  -7.472  16.402
    3   3H    LYS   1          3H        LYS   1  10.856  -7.002  17.343
    4    HA   LYS   1           HA       LYS   1  11.467  -4.619  16.789
    5   1HB   LYS   1          2HB       LYS   1  13.748  -5.832  15.984
    6   2HB   LYS   1          1HB       LYS   1  12.893  -5.767  14.443
    7   1HG   LYS   1          2HG       LYS   1  12.460  -3.306  14.919
    8   2HG   LYS   1          1HG       LYS   1  13.597  -3.453  16.259
    9   1HD   LYS   1          2HD       LYS   1  15.350  -3.297  14.857
   10   2HD   LYS   1          1HD       LYS   1  14.734  -4.635  13.887
   11   1HE   LYS   1          2HE       LYS   1  14.708  -2.872  12.334
   12   2HE   LYS   1          1HE       LYS   1  13.054  -2.801  12.972
   13   1HZ   LYS   1          1HZ       LYS   1  14.524  -1.409  14.797
   14   2HZ   LYS   1          2HZ       LYS   1  13.552  -0.724  13.585
   15   3HZ   LYS   1          3HZ       LYS   1  15.216  -0.942  13.320
   16    H    LEU   2           H        LEU   2   9.202  -6.081  16.608
   17    HA   LEU   2           HA       LEU   2   8.383  -6.878  13.969
   18   1HB   LEU   2          2HB       LEU   2   6.733  -5.851  16.298
   19   2HB   LEU   2          1HB       LEU   2   6.173  -6.907  15.001
   20    HG   LEU   2           HG       LEU   2   8.561  -7.849  16.486
   21   1HD1  LEU   2          1HD1      LEU   2   6.705  -6.793  18.097
   22   2HD1  LEU   2          2HD1      LEU   2   7.539  -8.291  18.507
   23   3HD1  LEU   2          3HD1      LEU   2   5.926  -8.347  17.799
   24   1HD2  LEU   2          1HD2      LEU   2   6.304  -9.649  16.292
   25   2HD2  LEU   2          2HD2      LEU   2   7.887  -9.774  15.523
   26   3HD2  LEU   2          3HD2      LEU   2   6.592  -8.871  14.736
   27    H    LYS   3           H        LYS   3   8.863  -5.205  12.458
   28    HA   LYS   3           HA       LYS   3   6.915  -3.008  12.365
   29   1HB   LYS   3          2HB       LYS   3   9.608  -2.728  13.461
   30   2HB   LYS   3          1HB       LYS   3   9.332  -1.630  12.109
   31   1HG   LYS   3          2HG       LYS   3   7.339  -0.738  13.173
   32   2HG   LYS   3          1HG       LYS   3   7.456  -1.924  14.474
   33   1HD   LYS   3          2HD       LYS   3   9.260  -0.861  15.468
   34   2HD   LYS   3          1HD       LYS   3   9.813  -0.154  13.949
   35   1HE   LYS   3          2HE       LYS   3   7.272   0.960  14.332
   36   2HE   LYS   3          1HE       LYS   3   8.019   0.984  15.941
   37   1HZ   LYS   3          1HZ       LYS   3   9.633   1.709  13.594
   38   2HZ   LYS   3          2HZ       LYS   3   9.799   2.208  15.209
   39   3HZ   LYS   3          3HZ       LYS   3   8.567   2.859  14.238
   40    H    LEU   4           H        LEU   4   8.076  -5.349  10.724
   41    HA   LEU   4           HA       LEU   4   8.926  -3.780   8.316
   42   1HB   LEU   4          2HB       LEU   4  10.519  -5.449   9.223
   43   2HB   LEU   4          1HB       LEU   4   9.294  -6.705   9.046
   44    HG   LEU   4           HG       LEU   4   9.796  -5.107   6.611
   45   1HD1  LEU   4          1HD1      LEU   4  12.091  -5.338   7.571
   46   2HD1  LEU   4          2HD1      LEU   4  11.890  -6.239   6.068
   47   3HD1  LEU   4          3HD1      LEU   4  11.864  -7.086   7.616
   48   1HD2  LEU   4          1HD2      LEU   4   8.997  -6.996   5.641
   49   2HD2  LEU   4          2HD2      LEU   4   8.551  -7.483   7.276
   50   3HD2  LEU   4          3HD2      LEU   4  10.074  -8.032   6.576
   51    H    PHE   5           H        PHE   5   6.207  -5.140   9.622
   52    HA   PHE   5           HA       PHE   5   5.176  -6.542   7.274
   53   1HB   PHE   5          2HB       PHE   5   4.472  -6.015  10.051
   54   2HB   PHE   5          1HB       PHE   5   3.074  -5.859   8.987
   55    HD1  PHE   5           HD1      PHE   5   6.098  -8.075   8.879
   56    HD2  PHE   5           HD2      PHE   5   1.814  -7.828   9.081
   57    HE1  PHE   5           HE1      PHE   5   5.948 -10.546   8.712
   58    HE2  PHE   5           HE2      PHE   5   1.665 -10.298   8.914
   59    HZ   PHE   5           HZ       PHE   5   3.732 -11.656   8.730
   60    H    LYS   6           H        LYS   6   5.180  -3.314   8.498
   61    HA   LYS   6           HA       LYS   6   2.937  -2.109   7.345
   62   1HB   LYS   6          2HB       LYS   6   5.806  -1.248   7.739
   63   2HB   LYS   6          1HB       LYS   6   4.605  -0.134   7.085
   64   1HG   LYS   6          2HG       LYS   6   3.166  -0.811   9.132
   65   2HG   LYS   6          1HG       LYS   6   4.673  -1.437   9.803
   66   1HD   LYS   6          2HD       LYS   6   5.616   0.927   9.103
   67   2HD   LYS   6          1HD       LYS   6   3.917   1.397   9.166
   68   1HE   LYS   6          2HE       LYS   6   4.470  -0.172  11.498
   69   2HE   LYS   6          1HE       LYS   6   5.715   1.086  11.364
   70   1HZ   LYS   6          1HZ       LYS   6   2.773   1.472  11.217
   71   2HZ   LYS   6          2HZ       LYS   6   3.913   2.686  10.884
   72   3HZ   LYS   6          3HZ       LYS   6   3.807   2.023  12.445
   73    H    LYS   7           H        LYS   7   5.728  -3.470   5.755
   74    HA   LYS   7           HA       LYS   7   5.645  -2.093   3.261
   75   1HB   LYS   7          2HB       LYS   7   6.847  -4.429   4.486
   76   2HB   LYS   7          1HB       LYS   7   6.392  -4.775   2.818
   77   1HG   LYS   7          2HG       LYS   7   7.499  -2.226   2.680
   78   2HG   LYS   7          1HG       LYS   7   8.534  -3.070   3.834
   79   1HD   LYS   7          2HD       LYS   7   8.208  -4.992   1.917
   80   2HD   LYS   7          1HD       LYS   7   8.183  -3.524   0.937
   81   1HE   LYS   7          2HE       LYS   7  10.503  -4.382   1.216
   82   2HE   LYS   7          1HE       LYS   7  10.315  -2.797   1.993
   83   1HZ   LYS   7          1HZ       LYS   7   9.554  -5.056   3.634
   84   2HZ   LYS   7          2HZ       LYS   7  10.469  -3.682   4.036
   85   3HZ   LYS   7          3HZ       LYS   7  11.206  -4.998   3.257
   86    H    ILE   8           H        ILE   8   3.430  -4.255   4.669
   87    HA   ILE   8           HA       ILE   8   2.232  -4.981   2.033
   88    HB   ILE   8           HB       ILE   8   1.406  -5.995   4.755
   89   1HG1  ILE   8          2HG1      ILE   8   3.634  -7.184   3.080
   90   2HG1  ILE   8          1HG1      ILE   8   3.933  -6.146   4.472
   91   1HG2  ILE   8          1HG2      ILE   8   0.013  -6.653   2.883
   92   2HG2  ILE   8          2HG2      ILE   8   0.963  -8.053   3.382
   93   3HG2  ILE   8          3HG2      ILE   8   1.426  -7.138   1.947
   94   1HD1  ILE   8          1HD1      ILE   8   3.426  -7.786   5.948
   95   2HD1  ILE   8          2HD1      ILE   8   3.613  -8.887   4.582
   96   3HD1  ILE   8          3HD1      ILE   8   2.012  -8.295   5.024
   97    H    GLY   9           H        GLY   9   1.926  -2.737   4.545
   98   1HA   GLY   9          2HA       GLY   9  -1.016  -2.500   4.299
   99   2HA   GLY   9          1HA       GLY   9   0.001  -1.599   5.425
  100    H    ILE  10           H        ILE  10   0.275  -1.978   1.885
  101    HA   ILE  10           HA       ILE  10  -0.135   0.981   1.642
  102    HB   ILE  10           HB       ILE  10   2.015  -0.788   0.423
  103   1HG1  ILE  10          2HG1      ILE  10   2.767   1.682   1.822
  104   2HG1  ILE  10          1HG1      ILE  10   1.931   0.531   2.865
  105   1HG2  ILE  10          1HG2      ILE  10   1.715   0.682  -1.324
  106   2HG2  ILE  10          2HG2      ILE  10   2.734   1.698  -0.307
  107   3HG2  ILE  10          3HG2      ILE  10   0.983   1.915  -0.298
  108   1HD1  ILE  10          1HD1      ILE  10   3.627  -1.000   2.761
  109   2HD1  ILE  10          2HD1      ILE  10   4.597   0.422   2.379
  110   3HD1  ILE  10          3HD1      ILE  10   4.008  -0.617   1.081
  111    H    GLY  11           H        GLY  11  -1.320  -1.964   0.847
  112   1HA   GLY  11          2HA       GLY  11  -2.491  -0.930  -1.687
  113   2HA   GLY  11          1HA       GLY  11  -1.787  -2.549  -1.671
  114    H    LYS  12           H        LYS  12  -2.612  -3.312   0.942
  115    HA   LYS  12           HA       LYS  12  -5.270  -4.277   0.420
  116   1HB   LYS  12          2HB       LYS  12  -3.142  -4.515   2.363
  117   2HB   LYS  12          1HB       LYS  12  -4.692  -4.377   3.193
  118   1HG   LYS  12          2HG       LYS  12  -4.286  -6.268   0.870
  119   2HG   LYS  12          1HG       LYS  12  -3.952  -6.746   2.535
  120   1HD   LYS  12          2HD       LYS  12  -6.508  -5.430   2.431
  121   2HD   LYS  12          1HD       LYS  12  -6.466  -6.712   1.221
  122   1HE   LYS  12          2HE       LYS  12  -6.897  -8.158   2.920
  123   2HE   LYS  12          1HE       LYS  12  -5.244  -7.843   3.485
  124   1HZ   LYS  12          1HZ       LYS  12  -6.689  -7.243   5.252
  125   2HZ   LYS  12          2HZ       LYS  12  -7.719  -6.374   4.218
  126   3HZ   LYS  12          3HZ       LYS  12  -6.160  -5.789   4.558
  127    H    PHE  13           H        PHE  13  -4.018  -1.594   2.403
  128    HA   PHE  13           HA       PHE  13  -6.538  -0.891   3.613
  129   1HB   PHE  13          2HB       PHE  13  -3.786  -0.036   3.536
  130   2HB   PHE  13          1HB       PHE  13  -4.839   1.370   3.387
  131    HD1  PHE  13           HD1      PHE  13  -3.958  -1.536   5.501
  132    HD2  PHE  13           HD2      PHE  13  -6.292   2.058   5.196
  133    HE1  PHE  13           HE1      PHE  13  -4.470  -1.661   7.927
  134    HE2  PHE  13           HE2      PHE  13  -6.801   1.934   7.619
  135    HZ   PHE  13           HZ       PHE  13  -5.890   0.074   8.985
  136    H    LEU  14           H        LEU  14  -4.956   0.019   0.571
  137    HA   LEU  14           HA       LEU  14  -6.620   2.259  -0.082
  138   1HB   LEU  14          2HB       LEU  14  -5.143   0.215  -1.774
  139   2HB   LEU  14          1HB       LEU  14  -5.817   1.715  -2.408
  140    HG   LEU  14           HG       LEU  14  -3.549   1.358  -0.447
  141   1HD1  LEU  14          1HD1      LEU  14  -3.345   3.437  -2.468
  142   2HD1  LEU  14          2HD1      LEU  14  -3.721   1.875  -3.197
  143   3HD1  LEU  14          3HD1      LEU  14  -2.289   2.054  -2.182
  144   1HD2  LEU  14          1HD2      LEU  14  -3.660   3.903  -0.237
  145   2HD2  LEU  14          2HD2      LEU  14  -4.910   3.011   0.633
  146   3HD2  LEU  14          3HD2      LEU  14  -5.292   3.795  -0.901
  147    H    HIS  15           H        HIS  15  -7.041  -1.229  -0.491
  148    HA   HIS  15           HA       HIS  15  -9.322  -1.173  -2.226
  149   1HB   HIS  15          2HB       HIS  15  -7.746  -3.086  -1.544
  150   2HB   HIS  15          1HB       HIS  15  -8.710  -3.199  -0.073
  151    HD1  HIS  15           HD1      HIS  15 -10.612  -2.217  -3.075
  152    HD2  HIS  15           HD2      HIS  15  -9.623  -5.776  -1.142
  153    HE1  HIS  15           HE1      HIS  15 -12.159  -3.990  -4.007
  154    H    SER  16           H        SER  16  -9.165  -1.829   1.229
  155    HA   SER  16           HA       SER  16 -11.918  -1.670   1.828
  156   1HB   SER  16          2HB       SER  16 -11.168  -1.593   4.074
  157   2HB   SER  16          1HB       SER  16  -9.838  -2.371   3.219
  158    HG   SER  16           HG       SER  16  -9.122  -0.033   2.961
  159    H    ALA  17           H        ALA  17  -9.716   0.818   0.980
  160    HA   ALA  17           HA       ALA  17 -11.374   2.971   2.147
  161   1HB   ALA  17          1HB       ALA  17  -8.890   3.051   0.402
  162   2HB   ALA  17          2HB       ALA  17  -8.863   2.960   2.163
  163   3HB   ALA  17          3HB       ALA  17  -9.537   4.381   1.362
  164    H    LYS  18           H        LYS  18 -11.128   1.174  -0.770
  165    HA   LYS  18           HA       LYS  18 -12.162   3.303  -2.510
  166   1HB   LYS  18          2HB       LYS  18 -11.327   0.433  -2.745
  167   2HB   LYS  18          1HB       LYS  18 -12.298   1.143  -4.035
  168   1HG   LYS  18          2HG       LYS  18  -9.827   2.526  -2.992
  169   2HG   LYS  18          1HG       LYS  18  -9.730   1.307  -4.263
  170   1HD   LYS  18          2HD       LYS  18 -11.860   3.204  -4.809
  171   2HD   LYS  18          1HD       LYS  18 -10.315   4.030  -4.602
  172   1HE   LYS  18          2HE       LYS  18 -10.087   1.579  -6.208
  173   2HE   LYS  18          1HE       LYS  18 -11.131   2.810  -6.944
  174   1HZ   LYS  18          1HZ       LYS  18  -9.448   4.280  -7.114
  175   2HZ   LYS  18          2HZ       LYS  18  -8.474   2.888  -7.089
  176   3HZ   LYS  18          3HZ       LYS  18  -8.712   3.787  -5.668
  177    H    LYS  19           H        LYS  19 -13.422   0.814  -0.491
  178    HA   LYS  19           HA       LYS  19 -16.180   1.593  -1.276
  179   1HB   LYS  19          2HB       LYS  19 -15.025  -0.492  -2.533
  180   2HB   LYS  19          1HB       LYS  19 -15.641  -1.330  -1.108
  181   1HG   LYS  19          2HG       LYS  19 -17.883  -0.699  -1.570
  182   2HG   LYS  19          1HG       LYS  19 -17.382   0.541  -2.720
  183   1HD   LYS  19          2HD       LYS  19 -17.863  -1.062  -4.271
  184   2HD   LYS  19          1HD       LYS  19 -16.262  -1.670  -3.850
  185   1HE   LYS  19          2HE       LYS  19 -17.334  -3.614  -3.333
  186   2HE   LYS  19          1HE       LYS  19 -17.895  -2.765  -1.879
  187   1HZ   LYS  19          1HZ       LYS  19 -19.898  -3.249  -2.829
  188   2HZ   LYS  19          2HZ       LYS  19 -19.290  -3.222  -4.416
  189   3HZ   LYS  19          3HZ       LYS  19 -19.594  -1.766  -3.596
  190    H    PHE  20           H        PHE  20 -14.241   1.547   1.170
  191    HA   PHE  20           HA       PHE  20 -16.314   0.618   3.092
  192   1HB   PHE  20          2HB       PHE  20 -13.942  -0.805   2.405
  193   2HB   PHE  20          1HB       PHE  20 -13.722  -0.176   4.038
  194    HD1  PHE  20           HD1      PHE  20 -16.298  -1.880   1.912
  195    HD2  PHE  20           HD2      PHE  20 -14.646  -1.339   5.839
  196    HE1  PHE  20           HE1      PHE  20 -17.829  -3.619   2.796
  197    HE2  PHE  20           HE2      PHE  20 -16.177  -3.079   6.724
  198    HZ   PHE  20           HZ       PHE  20 -17.769  -4.218   5.202
  199   1HN   NH2  21          1HN       NH2  21 -13.489   2.629   2.374
  200   2HN   NH2  21          2HN       NH2  21 -13.583   3.583   3.767
  Start of MODEL   14
    1   1H    LYS   1          1H        LYS   1  15.126 -12.079   4.528
    2   2H    LYS   1          2H        LYS   1  14.543 -10.593   3.946
    3   3H    LYS   1          3H        LYS   1  15.881 -11.334   3.205
    4    HA   LYS   1           HA       LYS   1  14.523 -12.360   1.782
    5   1HB   LYS   1          2HB       LYS   1  13.301 -13.434   4.350
    6   2HB   LYS   1          1HB       LYS   1  13.144 -14.170   2.755
    7   1HG   LYS   1          2HG       LYS   1  15.079 -15.267   3.075
    8   2HG   LYS   1          1HG       LYS   1  15.923 -13.725   3.229
    9   1HD   LYS   1          2HD       LYS   1  14.531 -14.099   5.661
   10   2HD   LYS   1          1HD       LYS   1  15.285 -15.649   5.286
   11   1HE   LYS   1          2HE       LYS   1  17.351 -14.001   4.688
   12   2HE   LYS   1          1HE       LYS   1  16.561 -13.048   5.959
   13   1HZ   LYS   1          1HZ       LYS   1  18.056 -15.425   6.232
   14   2HZ   LYS   1          2HZ       LYS   1  16.464 -15.721   6.743
   15   3HZ   LYS   1          3HZ       LYS   1  17.367 -14.467   7.448
   16    H    LEU   2           H        LEU   2  11.994 -12.805   1.354
   17    HA   LEU   2           HA       LEU   2   9.830 -11.886   1.098
   18   1HB   LEU   2          2HB       LEU   2  10.691 -11.407   3.755
   19   2HB   LEU   2          1HB       LEU   2   9.954  -9.905   3.195
   20    HG   LEU   2           HG       LEU   2   8.044 -11.424   2.308
   21   1HD1  LEU   2          1HD1      LEU   2   9.740 -13.420   3.147
   22   2HD1  LEU   2          2HD1      LEU   2   8.006 -13.621   2.894
   23   3HD1  LEU   2          3HD1      LEU   2   8.630 -13.291   4.511
   24   1HD2  LEU   2          1HD2      LEU   2   7.857 -11.642   5.211
   25   2HD2  LEU   2          2HD2      LEU   2   6.922 -10.632   4.107
   26   3HD2  LEU   2          3HD2      LEU   2   8.479 -10.068   4.716
   27    H    LYS   3           H        LYS   3  10.971 -10.887  -0.872
   28    HA   LYS   3           HA       LYS   3  11.264  -7.918  -0.570
   29   1HB   LYS   3          2HB       LYS   3  12.543  -8.169  -2.731
   30   2HB   LYS   3          1HB       LYS   3  13.253  -9.054  -1.382
   31   1HG   LYS   3          2HG       LYS   3  11.281 -10.682  -2.746
   32   2HG   LYS   3          1HG       LYS   3  12.511 -10.111  -3.876
   33   1HD   LYS   3          2HD       LYS   3  14.256 -11.137  -2.701
   34   2HD   LYS   3          1HD       LYS   3  13.327 -11.223  -1.203
   35   1HE   LYS   3          2HE       LYS   3  12.032 -12.688  -3.384
   36   2HE   LYS   3          1HE       LYS   3  13.648 -13.316  -3.003
   37   1HZ   LYS   3          1HZ       LYS   3  12.303 -14.346  -1.433
   38   2HZ   LYS   3          2HZ       LYS   3  11.333 -12.970  -1.203
   39   3HZ   LYS   3          3HZ       LYS   3  12.913 -13.012  -0.581
   40    H    LEU   4           H        LEU   4   8.663  -9.201  -0.755
   41    HA   LEU   4           HA       LEU   4   7.592  -7.739  -3.062
   42   1HB   LEU   4          2HB       LEU   4   8.523 -10.172  -3.653
   43   2HB   LEU   4          1HB       LEU   4   6.953 -10.663  -3.018
   44    HG   LEU   4           HG       LEU   4   7.258  -8.500  -5.110
   45   1HD1  LEU   4          1HD1      LEU   4   8.097 -10.927  -5.689
   46   2HD1  LEU   4          2HD1      LEU   4   7.047 -10.073  -6.819
   47   3HD1  LEU   4          3HD1      LEU   4   6.374 -11.299  -5.745
   48   1HD2  LEU   4          1HD2      LEU   4   5.082  -8.248  -4.506
   49   2HD2  LEU   4          2HD2      LEU   4   5.053  -9.789  -3.646
   50   3HD2  LEU   4          3HD2      LEU   4   4.811  -9.748  -5.392
   51    H    PHE   5           H        PHE   5   7.031 -10.017  -0.395
   52    HA   PHE   5           HA       PHE   5   4.163  -9.600  -0.277
   53   1HB   PHE   5          2HB       PHE   5   6.243 -11.157   0.962
   54   2HB   PHE   5          1HB       PHE   5   5.221 -10.454   2.212
   55    HD1  PHE   5           HD1      PHE   5   5.593 -13.218   0.108
   56    HD2  PHE   5           HD2      PHE   5   2.584 -10.529   1.581
   57    HE1  PHE   5           HE1      PHE   5   3.845 -14.910  -0.375
   58    HE2  PHE   5           HE2      PHE   5   0.836 -12.222   1.098
   59    HZ   PHE   5           HZ       PHE   5   1.468 -14.412   0.121
   60    H    LYS   6           H        LYS   6   6.918  -7.909   0.888
   61    HA   LYS   6           HA       LYS   6   5.723  -6.549   3.137
   62   1HB   LYS   6          2HB       LYS   6   7.733  -5.127   2.915
   63   2HB   LYS   6          1HB       LYS   6   8.149  -6.833   2.744
   64   1HG   LYS   6          2HG       LYS   6   8.136  -6.615   0.302
   65   2HG   LYS   6          1HG       LYS   6   7.656  -4.923   0.439
   66   1HD   LYS   6          2HD       LYS   6   9.986  -5.427   2.073
   67   2HD   LYS   6          1HD       LYS   6  10.283  -5.951   0.415
   68   1HE   LYS   6          2HE       LYS   6   8.888  -3.349   0.630
   69   2HE   LYS   6          1HE       LYS   6  10.551  -3.353   1.248
   70   1HZ   LYS   6          1HZ       LYS   6  10.850  -4.827  -0.936
   71   2HZ   LYS   6          2HZ       LYS   6  11.042  -3.140  -0.935
   72   3HZ   LYS   6          3HZ       LYS   6   9.581  -3.831  -1.457
   73    H    LYS   7           H        LYS   7   5.818  -5.895  -0.334
   74    HA   LYS   7           HA       LYS   7   4.779  -3.160  -0.049
   75   1HB   LYS   7          2HB       LYS   7   6.251  -4.519  -1.900
   76   2HB   LYS   7          1HB       LYS   7   4.652  -4.597  -2.638
   77   1HG   LYS   7          2HG       LYS   7   4.506  -2.066  -2.149
   78   2HG   LYS   7          1HG       LYS   7   6.249  -2.149  -1.893
   79   1HD   LYS   7          2HD       LYS   7   6.431  -1.866  -4.131
   80   2HD   LYS   7          1HD       LYS   7   5.913  -3.547  -4.256
   81   1HE   LYS   7          2HE       LYS   7   3.657  -1.706  -3.888
   82   2HE   LYS   7          1HE       LYS   7   4.573  -1.396  -5.376
   83   1HZ   LYS   7          1HZ       LYS   7   4.576  -3.979  -5.514
   84   2HZ   LYS   7          2HZ       LYS   7   3.215  -3.108  -6.043
   85   3HZ   LYS   7          3HZ       LYS   7   3.210  -3.857  -4.518
   86    H    ILE   8           H        ILE   8   3.334  -6.022   0.520
   87    HA   ILE   8           HA       ILE   8   0.782  -5.359  -0.894
   88    HB   ILE   8           HB       ILE   8   1.649  -7.867   0.578
   89   1HG1  ILE   8          2HG1      ILE   8   1.940  -7.027  -2.317
   90   2HG1  ILE   8          1HG1      ILE   8   3.201  -7.584  -1.217
   91   1HG2  ILE   8          1HG2      ILE   8  -0.843  -7.342   0.077
   92   2HG2  ILE   8          2HG2      ILE   8  -0.216  -8.916  -0.415
   93   3HG2  ILE   8          3HG2      ILE   8  -0.415  -7.633  -1.609
   94   1HD1  ILE   8          1HD1      ILE   8   2.230  -9.818  -1.158
   95   2HD1  ILE   8          2HD1      ILE   8   2.491  -9.349  -2.838
   96   3HD1  ILE   8          3HD1      ILE   8   0.870  -9.285  -2.145
   97    H    GLY   9           H        GLY   9   2.301  -5.308   2.195
   98   1HA   GLY   9          2HA       GLY   9  -0.036  -5.709   3.837
   99   2HA   GLY   9          1HA       GLY   9   1.471  -4.959   4.365
  100    H    ILE  10           H        ILE  10   0.900  -3.133   1.812
  101    HA   ILE  10           HA       ILE  10  -0.860  -1.234   3.335
  102    HB   ILE  10           HB       ILE  10   1.482  -0.839   1.452
  103   1HG1  ILE  10          2HG1      ILE  10   1.235   0.295   4.217
  104   2HG1  ILE  10          1HG1      ILE  10   1.632  -1.414   4.037
  105   1HG2  ILE  10          1HG2      ILE  10   0.471   1.108   0.892
  106   2HG2  ILE  10          2HG2      ILE  10   0.839   1.628   2.536
  107   3HG2  ILE  10          3HG2      ILE  10  -0.740   0.937   2.163
  108   1HD1  ILE  10          1HD1      ILE  10   3.246  -0.047   2.168
  109   2HD1  ILE  10          2HD1      ILE  10   3.772  -0.822   3.663
  110   3HD1  ILE  10          3HD1      ILE  10   3.337   0.887   3.661
  111    H    GLY  11           H        GLY  11  -0.740  -3.193   0.588
  112   1HA   GLY  11          2HA       GLY  11  -2.085  -1.429  -1.289
  113   2HA   GLY  11          1HA       GLY  11  -1.911  -3.175  -1.459
  114    H    LYS  12           H        LYS  12  -3.152  -3.995   0.942
  115    HA   LYS  12           HA       LYS  12  -5.904  -4.017   0.184
  116   1HB   LYS  12          2HB       LYS  12  -4.300  -5.435   1.823
  117   2HB   LYS  12          1HB       LYS  12  -5.122  -4.440   3.025
  118   1HG   LYS  12          2HG       LYS  12  -6.996  -5.671   2.836
  119   2HG   LYS  12          1HG       LYS  12  -7.030  -5.419   1.090
  120   1HD   LYS  12          2HD       LYS  12  -5.151  -7.216   1.022
  121   2HD   LYS  12          1HD       LYS  12  -5.703  -7.630   2.647
  122   1HE   LYS  12          2HE       LYS  12  -7.951  -8.081   1.833
  123   2HE   LYS  12          1HE       LYS  12  -7.515  -7.511   0.210
  124   1HZ   LYS  12          1HZ       LYS  12  -7.084  -9.724  -0.036
  125   2HZ   LYS  12          2HZ       LYS  12  -6.695  -9.957   1.600
  126   3HZ   LYS  12          3HZ       LYS  12  -5.575  -9.225   0.555
  127    H    PHE  13           H        PHE  13  -4.082  -1.590   1.781
  128    HA   PHE  13           HA       PHE  13  -6.161  -0.488   3.471
  129   1HB   PHE  13          2HB       PHE  13  -3.473  -0.170   3.159
  130   2HB   PHE  13          1HB       PHE  13  -4.062   1.276   2.336
  131    HD1  PHE  13           HD1      PHE  13  -4.757  -0.696   5.458
  132    HD2  PHE  13           HD2      PHE  13  -4.430   3.178   3.632
  133    HE1  PHE  13           HE1      PHE  13  -5.194   0.374   7.652
  134    HE2  PHE  13           HE2      PHE  13  -4.866   4.249   5.826
  135    HZ   PHE  13           HZ       PHE  13  -5.248   2.847   7.837
  136    H    LEU  14           H        LEU  14  -4.889   0.480   0.256
  137    HA   LEU  14           HA       LEU  14  -6.697   2.619  -0.232
  138   1HB   LEU  14          2HB       LEU  14  -4.639   2.033  -1.519
  139   2HB   LEU  14          1HB       LEU  14  -5.480   0.629  -2.176
  140    HG   LEU  14           HG       LEU  14  -7.066   3.045  -2.488
  141   1HD1  LEU  14          1HD1      LEU  14  -5.511   4.515  -3.184
  142   2HD1  LEU  14          2HD1      LEU  14  -5.052   3.391  -4.462
  143   3HD1  LEU  14          3HD1      LEU  14  -4.237   3.329  -2.900
  144   1HD2  LEU  14          1HD2      LEU  14  -7.311   0.837  -3.681
  145   2HD2  LEU  14          2HD2      LEU  14  -5.817   1.199  -4.544
  146   3HD2  LEU  14          3HD2      LEU  14  -7.234   2.226  -4.764
  147    H    HIS  15           H        HIS  15  -7.049  -0.875  -0.691
  148    HA   HIS  15           HA       HIS  15  -9.450  -0.866  -2.227
  149   1HB   HIS  15          2HB       HIS  15  -7.776  -2.724  -1.676
  150   2HB   HIS  15          1HB       HIS  15  -8.632  -2.887  -0.145
  151    HD1  HIS  15           HD1      HIS  15  -9.779  -5.113  -0.591
  152    HD2  HIS  15           HD2      HIS  15 -10.490  -2.305  -3.582
  153    HE1  HIS  15           HE1      HIS  15 -11.585  -6.093  -2.076
  154    H    SER  16           H        SER  16  -9.142  -1.672   1.191
  155    HA   SER  16           HA       SER  16 -11.828  -1.593   1.937
  156   1HB   SER  16          2HB       SER  16  -9.706  -0.444   3.719
  157   2HB   SER  16          1HB       SER  16 -10.989  -1.581   4.122
  158    HG   SER  16           HG       SER  16  -8.471  -2.069   3.332
  159    H    ALA  17           H        ALA  17  -9.773   1.047   1.112
  160    HA   ALA  17           HA       ALA  17 -11.334   3.138   2.414
  161   1HB   ALA  17          1HB       ALA  17  -9.358   4.139   1.949
  162   2HB   ALA  17          2HB       ALA  17  -9.803   4.139   0.243
  163   3HB   ALA  17          3HB       ALA  17  -8.890   2.789   0.916
  164    H    LYS  18           H        LYS  18 -10.823   2.288  -1.030
  165    HA   LYS  18           HA       LYS  18 -13.199   3.820  -1.845
  166   1HB   LYS  18          2HB       LYS  18 -10.844   3.387  -2.982
  167   2HB   LYS  18          1HB       LYS  18 -11.644   1.941  -3.598
  168   1HG   LYS  18          2HG       LYS  18 -13.046   3.133  -4.960
  169   2HG   LYS  18          1HG       LYS  18 -13.173   4.478  -3.825
  170   1HD   LYS  18          2HD       LYS  18 -11.218   5.484  -4.585
  171   2HD   LYS  18          1HD       LYS  18 -10.548   3.966  -5.184
  172   1HE   LYS  18          2HE       LYS  18 -12.263   3.948  -6.996
  173   2HE   LYS  18          1HE       LYS  18 -12.845   5.524  -6.423
  174   1HZ   LYS  18          1HZ       LYS  18 -10.350   4.850  -7.765
  175   2HZ   LYS  18          2HZ       LYS  18 -10.237   5.984  -6.504
  176   3HZ   LYS  18          3HZ       LYS  18 -11.259   6.280  -7.829
  177    H    LYS  19           H        LYS  19 -12.982   0.974  -0.311
  178    HA   LYS  19           HA       LYS  19 -15.295  -0.205  -1.813
  179   1HB   LYS  19          2HB       LYS  19 -13.157  -1.367  -2.303
  180   2HB   LYS  19          1HB       LYS  19 -12.917  -1.635  -0.577
  181   1HG   LYS  19          2HG       LYS  19 -14.042  -3.575  -0.852
  182   2HG   LYS  19          1HG       LYS  19 -15.493  -2.592  -1.043
  183   1HD   LYS  19          2HD       LYS  19 -14.530  -2.384  -3.541
  184   2HD   LYS  19          1HD       LYS  19 -13.844  -3.952  -3.114
  185   1HE   LYS  19          2HE       LYS  19 -16.104  -4.752  -2.453
  186   2HE   LYS  19          1HE       LYS  19 -16.782  -3.190  -2.951
  187   1HZ   LYS  19          1HZ       LYS  19 -15.411  -3.681  -5.100
  188   2HZ   LYS  19          2HZ       LYS  19 -16.954  -4.363  -4.897
  189   3HZ   LYS  19          3HZ       LYS  19 -15.566  -5.295  -4.599
  190    H    PHE  20           H        PHE  20 -14.328   1.194   1.000
  191    HA   PHE  20           HA       PHE  20 -16.561   0.040   2.520
  192   1HB   PHE  20          2HB       PHE  20 -13.856  -0.956   2.715
  193   2HB   PHE  20          1HB       PHE  20 -14.332  -0.234   4.251
  194    HD1  PHE  20           HD1      PHE  20 -16.545  -0.957   5.307
  195    HD2  PHE  20           HD2      PHE  20 -14.709  -3.060   2.042
  196    HE1  PHE  20           HE1      PHE  20 -17.920  -2.956   5.822
  197    HE2  PHE  20           HE2      PHE  20 -16.083  -5.059   2.556
  198    HZ   PHE  20           HZ       PHE  20 -17.690  -5.007   4.446
  199   1HN   NH2  21          1HN       NH2  21 -15.442   2.742   1.559
  200   2HN   NH2  21          2HN       NH2  21 -15.349   3.692   2.960
  Start of MODEL   15
    1   1H    LYS   1          1H        LYS   1   5.363  -1.990 -14.471
    2   2H    LYS   1          2H        LYS   1   4.660  -2.018 -12.925
    3   3H    LYS   1          3H        LYS   1   5.405  -3.412 -13.547
    4    HA   LYS   1           HA       LYS   1   7.482  -2.725 -13.015
    5   1HB   LYS   1          2HB       LYS   1   6.290  -0.133 -13.962
    6   2HB   LYS   1          1HB       LYS   1   7.834  -0.110 -13.110
    7   1HG   LYS   1          2HG       LYS   1   8.230  -2.164 -14.878
    8   2HG   LYS   1          1HG       LYS   1   7.194  -1.090 -15.819
    9   1HD   LYS   1          2HD       LYS   1   9.023   0.150 -16.261
   10   2HD   LYS   1          1HD       LYS   1   9.038   0.609 -14.557
   11   1HE   LYS   1          2HE       LYS   1  10.203  -1.871 -14.438
   12   2HE   LYS   1          1HE       LYS   1  10.798  -1.273 -16.001
   13   1HZ   LYS   1          1HZ       LYS   1  12.272  -0.324 -14.506
   14   2HZ   LYS   1          2HZ       LYS   1  11.080  -0.058 -13.326
   15   3HZ   LYS   1          3HZ       LYS   1  11.134   0.917 -14.715
   16    H    LEU   2           H        LEU   2   7.710  -3.090 -10.834
   17    HA   LEU   2           HA       LEU   2   7.554  -2.747  -8.497
   18   1HB   LEU   2          2HB       LEU   2   7.646  -0.141  -9.879
   19   2HB   LEU   2          1HB       LEU   2   6.995  -0.061  -8.242
   20    HG   LEU   2           HG       LEU   2   9.029  -1.480  -7.550
   21   1HD1  LEU   2          1HD1      LEU   2  10.063  -0.417 -10.196
   22   2HD1  LEU   2          2HD1      LEU   2   9.608  -2.097  -9.915
   23   3HD1  LEU   2          3HD1      LEU   2  10.956  -1.389  -9.026
   24   1HD2  LEU   2          1HD2      LEU   2  10.268   0.996  -8.417
   25   2HD2  LEU   2          2HD2      LEU   2   9.807   0.498  -6.789
   26   3HD2  LEU   2          3HD2      LEU   2   8.630   1.295  -7.833
   27    H    LYS   3           H        LYS   3   5.575  -3.925  -8.107
   28    HA   LYS   3           HA       LYS   3   3.305  -2.258  -7.302
   29   1HB   LYS   3          2HB       LYS   3   3.508  -3.445  -9.948
   30   2HB   LYS   3          1HB       LYS   3   2.086  -4.045  -9.093
   31   1HG   LYS   3          2HG       LYS   3   2.817  -1.120  -9.438
   32   2HG   LYS   3          1HG       LYS   3   1.571  -1.975 -10.350
   33   1HD   LYS   3          2HD       LYS   3   0.565  -2.573  -8.046
   34   2HD   LYS   3          1HD       LYS   3   1.609  -1.301  -7.410
   35   1HE   LYS   3          2HE       LYS   3  -0.170   0.060  -7.920
   36   2HE   LYS   3          1HE       LYS   3   0.474  -0.034  -9.571
   37   1HZ   LYS   3          1HZ       LYS   3  -0.856  -2.356  -9.362
   38   2HZ   LYS   3          2HZ       LYS   3  -1.512  -0.943 -10.040
   39   3HZ   LYS   3          3HZ       LYS   3  -1.839  -1.343  -8.422
   40    H    LEU   4           H        LEU   4   5.070  -4.342  -6.098
   41    HA   LEU   4           HA       LEU   4   2.929  -5.987  -4.929
   42   1HB   LEU   4          2HB       LEU   4   3.749  -8.082  -5.704
   43   2HB   LEU   4          1HB       LEU   4   3.749  -7.043  -7.126
   44    HG   LEU   4           HG       LEU   4   6.256  -6.702  -5.788
   45   1HD1  LEU   4          1HD1      LEU   4   6.313  -8.775  -4.761
   46   2HD1  LEU   4          2HD1      LEU   4   6.898  -9.232  -6.361
   47   3HD1  LEU   4          3HD1      LEU   4   5.209  -9.500  -5.930
   48   1HD2  LEU   4          1HD2      LEU   4   5.415  -6.646  -8.305
   49   2HD2  LEU   4          2HD2      LEU   4   5.923  -8.335  -8.279
   50   3HD2  LEU   4          3HD2      LEU   4   7.088  -7.057  -7.926
   51    H    PHE   5           H        PHE   5   4.460  -4.105  -3.621
   52    HA   PHE   5           HA       PHE   5   6.045  -5.795  -1.766
   53   1HB   PHE   5          2HB       PHE   5   7.081  -3.925  -3.731
   54   2HB   PHE   5          1HB       PHE   5   7.553  -3.457  -2.096
   55    HD1  PHE   5           HD1      PHE   5   8.370  -5.522  -4.846
   56    HD2  PHE   5           HD2      PHE   5   8.364  -5.457  -0.551
   57    HE1  PHE   5           HE1      PHE   5  10.069  -7.329  -4.815
   58    HE2  PHE   5           HE2      PHE   5  10.064  -7.263  -0.521
   59    HZ   PHE   5           HZ       PHE   5  10.915  -8.200  -2.654
   60    H    LYS   6           H        LYS   6   6.076  -2.311  -2.032
   61    HA   LYS   6           HA       LYS   6   5.471  -1.795   0.687
   62   1HB   LYS   6          2HB       LYS   6   5.370  -0.286  -1.906
   63   2HB   LYS   6          1HB       LYS   6   4.721   0.479  -0.456
   64   1HG   LYS   6          2HG       LYS   6   6.782   0.647   0.549
   65   2HG   LYS   6          1HG       LYS   6   7.385  -0.830  -0.204
   66   1HD   LYS   6          2HD       LYS   6   8.172   0.274  -2.033
   67   2HD   LYS   6          1HD       LYS   6   6.786   1.364  -2.092
   68   1HE   LYS   6          2HE       LYS   6   7.765   2.545  -0.056
   69   2HE   LYS   6          1HE       LYS   6   9.238   1.591  -0.322
   70   1HZ   LYS   6          1HZ       LYS   6   9.702   2.658  -2.240
   71   2HZ   LYS   6          2HZ       LYS   6   8.766   3.901  -1.558
   72   3HZ   LYS   6          3HZ       LYS   6   8.073   2.830  -2.678
   73    H    LYS   7           H        LYS   7   3.377  -2.767  -1.889
   74    HA   LYS   7           HA       LYS   7   0.919  -1.608  -0.855
   75   1HB   LYS   7          2HB       LYS   7  -0.072  -2.828  -2.656
   76   2HB   LYS   7          1HB       LYS   7   1.526  -2.359  -3.234
   77   1HG   LYS   7          2HG       LYS   7   1.947  -4.535  -3.631
   78   2HG   LYS   7          1HG       LYS   7   1.906  -4.803  -1.887
   79   1HD   LYS   7          2HD       LYS   7  -0.501  -5.217  -1.971
   80   2HD   LYS   7          1HD       LYS   7  -0.528  -4.852  -3.696
   81   1HE   LYS   7          2HE       LYS   7  -0.471  -7.327  -3.192
   82   2HE   LYS   7          1HE       LYS   7   0.912  -6.782  -4.163
   83   1HZ   LYS   7          1HZ       LYS   7   2.330  -6.914  -2.405
   84   2HZ   LYS   7          2HZ       LYS   7   1.254  -8.146  -1.947
   85   3HZ   LYS   7          3HZ       LYS   7   1.127  -6.600  -1.251
   86    H    ILE   8           H        ILE   8   2.830  -4.278   0.044
   87    HA   ILE   8           HA       ILE   8   1.062  -6.274   0.866
   88    HB   ILE   8           HB       ILE   8   3.563  -5.126   2.131
   89   1HG1  ILE   8          2HG1      ILE   8   3.185  -7.611   0.460
   90   2HG1  ILE   8          1HG1      ILE   8   3.559  -6.050  -0.253
   91   1HG2  ILE   8          1HG2      ILE   8   3.689  -7.560   3.047
   92   2HG2  ILE   8          2HG2      ILE   8   1.949  -7.594   2.765
   93   3HG2  ILE   8          3HG2      ILE   8   2.638  -6.413   3.879
   94   1HD1  ILE   8          1HD1      ILE   8   5.630  -7.304   0.096
   95   2HD1  ILE   8          2HD1      ILE   8   5.233  -7.523   1.801
   96   3HD1  ILE   8          3HD1      ILE   8   5.591  -5.912   1.179
   97    H    GLY   9           H        GLY   9   1.781  -3.198   2.498
   98   1HA   GLY   9          2HA       GLY   9  -0.217  -3.920   4.599
   99   2HA   GLY   9          1HA       GLY   9   1.022  -2.679   4.779
  100    H    ILE  10           H        ILE  10   0.564  -1.494   2.149
  101    HA   ILE  10           HA       ILE  10  -1.785   0.148   2.864
  102    HB   ILE  10           HB       ILE  10   0.248   0.302   0.617
  103   1HG1  ILE  10          2HG1      ILE  10   0.567   2.323   2.611
  104   2HG1  ILE  10          1HG1      ILE  10   0.475   0.765   3.435
  105   1HG2  ILE  10          1HG2      ILE  10  -0.543   2.825   0.940
  106   2HG2  ILE  10          2HG2      ILE  10  -2.013   2.042   1.520
  107   3HG2  ILE  10          3HG2      ILE  10  -1.429   1.721  -0.113
  108   1HD1  ILE  10          1HD1      ILE  10   2.128   0.722   1.002
  109   2HD1  ILE  10          2HD1      ILE  10   2.473   0.079   2.607
  110   3HD1  ILE  10          3HD1      ILE  10   2.747   1.786   2.264
  111    H    GLY  11           H        GLY  11  -0.813  -2.182   0.394
  112   1HA   GLY  11          2HA       GLY  11  -2.625  -1.793  -1.647
  113   2HA   GLY  11          1HA       GLY  11  -2.190  -3.407  -1.083
  114    H    LYS  12           H        LYS  12  -3.386  -3.956   1.114
  115    HA   LYS  12           HA       LYS  12  -6.170  -4.158   0.577
  116   1HB   LYS  12          2HB       LYS  12  -6.249  -4.992   2.891
  117   2HB   LYS  12          1HB       LYS  12  -4.806  -5.599   2.079
  118   1HG   LYS  12          2HG       LYS  12  -3.747  -3.363   3.071
  119   2HG   LYS  12          1HG       LYS  12  -5.043  -3.561   4.253
  120   1HD   LYS  12          2HD       LYS  12  -4.082  -6.114   4.100
  121   2HD   LYS  12          1HD       LYS  12  -2.608  -5.181   3.841
  122   1HE   LYS  12          2HE       LYS  12  -3.657  -3.778   5.909
  123   2HE   LYS  12          1HE       LYS  12  -4.294  -5.395   6.278
  124   1HZ   LYS  12          1HZ       LYS  12  -1.933  -4.837   7.067
  125   2HZ   LYS  12          2HZ       LYS  12  -1.488  -5.021   5.437
  126   3HZ   LYS  12          3HZ       LYS  12  -2.180  -6.321   6.284
  127    H    PHE  13           H        PHE  13  -4.328  -1.584   2.057
  128    HA   PHE  13           HA       PHE  13  -6.541  -0.360   3.487
  129   1HB   PHE  13          2HB       PHE  13  -3.831  -0.155   3.495
  130   2HB   PHE  13          1HB       PHE  13  -4.250   1.277   2.553
  131    HD1  PHE  13           HD1      PHE  13  -6.744   2.202   3.657
  132    HD2  PHE  13           HD2      PHE  13  -3.363   0.504   5.690
  133    HE1  PHE  13           HE1      PHE  13  -7.405   3.379   5.738
  134    HE2  PHE  13           HE2      PHE  13  -4.022   1.681   7.771
  135    HZ   PHE  13           HZ       PHE  13  -6.043   3.119   7.795
  136    H    LEU  14           H        LEU  14  -4.853   0.499   0.431
  137    HA   LEU  14           HA       LEU  14  -6.554   2.665  -0.284
  138   1HB   LEU  14          2HB       LEU  14  -4.374   1.179  -1.335
  139   2HB   LEU  14          1HB       LEU  14  -5.623   1.189  -2.582
  140    HG   LEU  14           HG       LEU  14  -4.043   3.162  -2.673
  141   1HD1  LEU  14          1HD1      LEU  14  -6.089   3.483  -3.797
  142   2HD1  LEU  14          2HD1      LEU  14  -6.017   4.857  -2.693
  143   3HD1  LEU  14          3HD1      LEU  14  -7.020   3.460  -2.300
  144   1HD2  LEU  14          1HD2      LEU  14  -4.192   3.238  -0.013
  145   2HD2  LEU  14          2HD2      LEU  14  -5.549   4.312  -0.352
  146   3HD2  LEU  14          3HD2      LEU  14  -3.939   4.712  -0.948
  147    H    HIS  15           H        HIS  15  -6.877  -0.829  -0.825
  148    HA   HIS  15           HA       HIS  15  -9.137  -0.676  -2.601
  149   1HB   HIS  15          2HB       HIS  15  -7.386  -2.544  -1.966
  150   2HB   HIS  15          1HB       HIS  15  -8.581  -2.947  -0.735
  151    HD1  HIS  15           HD1      HIS  15  -9.867  -4.874  -1.595
  152    HD2  HIS  15           HD2      HIS  15  -9.204  -2.048  -4.578
  153    HE1  HIS  15           HE1      HIS  15 -11.104  -5.701  -3.649
  154    H    SER  16           H        SER  16  -8.874  -1.511   0.818
  155    HA   SER  16           HA       SER  16 -11.613  -1.705   1.439
  156   1HB   SER  16          2HB       SER  16  -9.577  -2.290   2.834
  157   2HB   SER  16          1HB       SER  16  -9.427  -0.574   3.201
  158    HG   SER  16           HG       SER  16 -11.493  -0.654   4.117
  159    H    ALA  17           H        ALA  17  -9.503   1.123   1.573
  160    HA   ALA  17           HA       ALA  17 -11.391   3.024   2.518
  161   1HB   ALA  17          1HB       ALA  17  -8.746   2.938   1.593
  162   2HB   ALA  17          2HB       ALA  17  -9.577   4.356   2.235
  163   3HB   ALA  17          3HB       ALA  17  -9.558   4.056   0.496
  164    H    LYS  18           H        LYS  18 -10.737   1.797  -0.742
  165    HA   LYS  18           HA       LYS  18 -12.704   3.593  -1.994
  166   1HB   LYS  18          2HB       LYS  18 -10.428   2.210  -2.762
  167   2HB   LYS  18          1HB       LYS  18 -11.724   1.254  -3.482
  168   1HG   LYS  18          2HG       LYS  18 -12.593   3.737  -4.112
  169   2HG   LYS  18          1HG       LYS  18 -10.853   4.026  -4.098
  170   1HD   LYS  18          2HD       LYS  18 -10.577   2.027  -5.600
  171   2HD   LYS  18          1HD       LYS  18 -12.335   1.939  -5.722
  172   1HE   LYS  18          2HE       LYS  18 -11.546   3.198  -7.638
  173   2HE   LYS  18          1HE       LYS  18 -12.277   4.367  -6.522
  174   1HZ   LYS  18          1HZ       LYS  18  -9.686   4.035  -5.649
  175   2HZ   LYS  18          2HZ       LYS  18 -10.313   5.384  -6.468
  176   3HZ   LYS  18          3HZ       LYS  18  -9.557   4.136  -7.337
  177    H    LYS  19           H        LYS  19 -12.950   0.853  -0.125
  178    HA   LYS  19           HA       LYS  19 -15.679   0.301  -1.084
  179   1HB   LYS  19          2HB       LYS  19 -13.384  -1.168  -1.981
  180   2HB   LYS  19          1HB       LYS  19 -14.376  -2.232  -0.981
  181   1HG   LYS  19          2HG       LYS  19 -15.938  -2.394  -2.593
  182   2HG   LYS  19          1HG       LYS  19 -16.051  -0.639  -2.723
  183   1HD   LYS  19          2HD       LYS  19 -13.650  -1.086  -3.939
  184   2HD   LYS  19          1HD       LYS  19 -14.523  -2.556  -4.376
  185   1HE   LYS  19          2HE       LYS  19 -15.938  -1.434  -5.771
  186   2HE   LYS  19          1HE       LYS  19 -16.120  -0.079  -4.637
  187   1HZ   LYS  19          1HZ       LYS  19 -14.824   0.909  -6.217
  188   2HZ   LYS  19          2HZ       LYS  19 -14.057  -0.537  -6.670
  189   3HZ   LYS  19          3HZ       LYS  19 -13.602   0.257  -5.239
  190    H    PHE  20           H        PHE  20 -14.956   1.295   1.398
  191    HA   PHE  20           HA       PHE  20 -15.900  -0.834   3.185
  192   1HB   PHE  20          2HB       PHE  20 -13.300  -0.937   2.770
  193   2HB   PHE  20          1HB       PHE  20 -13.264   0.433   3.880
  194    HD1  PHE  20           HD1      PHE  20 -13.841   0.176   6.222
  195    HD2  PHE  20           HD2      PHE  20 -14.111  -3.140   3.506
  196    HE1  PHE  20           HE1      PHE  20 -14.065  -1.377   8.141
  197    HE2  PHE  20           HE2      PHE  20 -14.335  -4.694   5.425
  198    HZ   PHE  20           HZ       PHE  20 -14.312  -3.813   7.742
  199   1HN   NH2  21          1HN       NH2  21 -16.431   2.117   2.276
  200   2HN   NH2  21          2HN       NH2  21 -16.629   2.952   3.739
  Start of MODEL   16
    1   1H    LYS   1          1H        LYS   1   9.462   6.283 -15.390
    2   2H    LYS   1          2H        LYS   1   9.918   4.811 -16.107
    3   3H    LYS   1          3H        LYS   1  10.751   5.390 -14.743
    4    HA   LYS   1           HA       LYS   1   7.856   4.898 -14.525
    5   1HB   LYS   1          2HB       LYS   1   9.750   3.028 -15.487
    6   2HB   LYS   1          1HB       LYS   1   9.457   2.600 -13.801
    7   1HG   LYS   1          2HG       LYS   1   7.595   1.557 -14.545
    8   2HG   LYS   1          1HG       LYS   1   6.918   3.174 -14.751
    9   1HD   LYS   1          2HD       LYS   1   8.615   1.910 -16.900
   10   2HD   LYS   1          1HD       LYS   1   6.883   1.595 -16.801
   11   1HE   LYS   1          2HE       LYS   1   6.762   4.256 -16.620
   12   2HE   LYS   1          1HE       LYS   1   8.303   4.137 -17.492
   13   1HZ   LYS   1          1HZ       LYS   1   6.460   4.129 -19.051
   14   2HZ   LYS   1          2HZ       LYS   1   5.757   2.802 -18.255
   15   3HZ   LYS   1          3HZ       LYS   1   7.240   2.624 -19.066
   16    H    LEU   2           H        LEU   2   7.900   6.330 -12.713
   17    HA   LEU   2           HA       LEU   2   9.518   5.335 -10.394
   18   1HB   LEU   2          2HB       LEU   2   9.595   7.849 -11.810
   19   2HB   LEU   2          1HB       LEU   2   9.087   8.127 -10.143
   20    HG   LEU   2           HG       LEU   2  11.094   6.351  -9.731
   21   1HD1  LEU   2          1HD1      LEU   2  12.972   6.950 -11.207
   22   2HD1  LEU   2          2HD1      LEU   2  11.910   8.004 -12.141
   23   3HD1  LEU   2          3HD1      LEU   2  11.644   6.259 -12.140
   24   1HD2  LEU   2          1HD2      LEU   2  10.806   8.567  -8.654
   25   2HD2  LEU   2          2HD2      LEU   2  11.428   9.346 -10.109
   26   3HD2  LEU   2          3HD2      LEU   2  12.478   8.305  -9.149
   27    H    LYS   3           H        LYS   3   7.007   4.376 -10.613
   28    HA   LYS   3           HA       LYS   3   5.214   6.161  -9.028
   29   1HB   LYS   3          2HB       LYS   3   4.733   3.572 -10.544
   30   2HB   LYS   3          1HB       LYS   3   3.481   4.555  -9.781
   31   1HG   LYS   3          2HG       LYS   3   5.358   5.801 -11.774
   32   2HG   LYS   3          1HG       LYS   3   3.965   4.876 -12.336
   33   1HD   LYS   3          2HD       LYS   3   3.896   7.266 -10.470
   34   2HD   LYS   3          1HD       LYS   3   3.346   7.233 -12.146
   35   1HE   LYS   3          2HE       LYS   3   1.950   5.119 -11.053
   36   2HE   LYS   3          1HE       LYS   3   1.970   6.293  -9.721
   37   1HZ   LYS   3          1HZ       LYS   3   0.146   6.648 -11.367
   38   2HZ   LYS   3          2HZ       LYS   3   1.331   7.005 -12.531
   39   3HZ   LYS   3          3HZ       LYS   3   1.164   7.989 -11.157
   40    H    LEU   4           H        LEU   4   7.141   5.370  -7.416
   41    HA   LEU   4           HA       LEU   4   6.728   2.739  -6.217
   42   1HB   LEU   4          2HB       LEU   4   8.604   4.931  -6.184
   43   2HB   LEU   4          1HB       LEU   4   8.203   4.471  -4.528
   44    HG   LEU   4           HG       LEU   4   8.784   2.164  -4.964
   45   1HD1  LEU   4          1HD1      LEU   4   8.336   2.965  -7.685
   46   2HD1  LEU   4          2HD1      LEU   4   8.568   1.338  -7.045
   47   3HD1  LEU   4          3HD1      LEU   4   9.961   2.293  -7.550
   48   1HD2  LEU   4          1HD2      LEU   4  11.212   2.517  -5.760
   49   2HD2  LEU   4          2HD2      LEU   4  10.697   3.435  -4.346
   50   3HD2  LEU   4          3HD2      LEU   4  10.783   4.220  -5.923
   51    H    PHE   5           H        PHE   5   4.285   4.065  -6.199
   52    HA   PHE   5           HA       PHE   5   3.932   5.147  -3.454
   53   1HB   PHE   5          2HB       PHE   5   2.956   5.780  -6.002
   54   2HB   PHE   5          1HB       PHE   5   1.587   5.054  -5.159
   55    HD1  PHE   5           HD1      PHE   5   0.200   6.649  -4.195
   56    HD2  PHE   5           HD2      PHE   5   4.451   7.264  -4.141
   57    HE1  PHE   5           HE1      PHE   5  -0.119   8.742  -2.905
   58    HE2  PHE   5           HE2      PHE   5   4.132   9.357  -2.849
   59    HZ   PHE   5           HZ       PHE   5   1.847  10.096  -2.233
   60    H    LYS   6           H        LYS   6   2.059   3.054  -5.590
   61    HA   LYS   6           HA       LYS   6   0.823   1.646  -3.350
   62   1HB   LYS   6          2HB       LYS   6   0.445   2.053  -6.154
   63   2HB   LYS   6          1HB       LYS   6   0.502   0.313  -5.866
   64   1HG   LYS   6          2HG       LYS   6  -1.120   2.003  -4.003
   65   2HG   LYS   6          1HG       LYS   6  -1.774   1.662  -5.605
   66   1HD   LYS   6          2HD       LYS   6  -0.823  -0.807  -4.796
   67   2HD   LYS   6          1HD       LYS   6  -1.466  -0.126  -3.301
   68   1HE   LYS   6          2HE       LYS   6  -3.002  -0.231  -5.923
   69   2HE   LYS   6          1HE       LYS   6  -3.211  -1.380  -4.586
   70   1HZ   LYS   6          1HZ       LYS   6  -3.381   1.562  -4.235
   71   2HZ   LYS   6          2HZ       LYS   6  -3.831   0.356  -3.126
   72   3HZ   LYS   6          3HZ       LYS   6  -4.742   0.596  -4.539
   73    H    LYS   7           H        LYS   7   3.754   1.308  -5.094
   74    HA   LYS   7           HA       LYS   7   4.006  -1.589  -4.901
   75   1HB   LYS   7          2HB       LYS   7   5.206   0.464  -6.282
   76   2HB   LYS   7          1HB       LYS   7   6.434   0.077  -5.076
   77   1HG   LYS   7          2HG       LYS   7   5.113  -2.194  -6.505
   78   2HG   LYS   7          1HG       LYS   7   6.311  -1.246  -7.388
   79   1HD   LYS   7          2HD       LYS   7   7.098  -1.988  -4.637
   80   2HD   LYS   7          1HD       LYS   7   6.936  -3.343  -5.755
   81   1HE   LYS   7          2HE       LYS   7   8.834  -2.765  -6.857
   82   2HE   LYS   7          1HE       LYS   7   8.325  -1.068  -6.973
   83   1HZ   LYS   7          1HZ       LYS   7   8.965  -0.705  -4.709
   84   2HZ   LYS   7          2HZ       LYS   7  10.287  -1.394  -5.522
   85   3HZ   LYS   7          3HZ       LYS   7   9.332  -2.345  -4.488
   86    H    ILE   8           H        ILE   8   3.917   0.708  -2.526
   87    HA   ILE   8           HA       ILE   8   6.201  -0.080  -0.902
   88    HB   ILE   8           HB       ILE   8   3.583   1.310  -0.233
   89   1HG1  ILE   8          2HG1      ILE   8   6.299   2.359  -1.085
   90   2HG1  ILE   8          1HG1      ILE   8   4.784   2.505  -1.978
   91   1HG2  ILE   8          1HG2      ILE   8   6.231   1.495   1.219
   92   2HG2  ILE   8          2HG2      ILE   8   4.976   0.348   1.687
   93   3HG2  ILE   8          3HG2      ILE   8   4.657   2.081   1.758
   94   1HD1  ILE   8          1HD1      ILE   8   5.156   4.604  -0.849
   95   2HD1  ILE   8          2HD1      ILE   8   5.473   3.784   0.680
   96   3HD1  ILE   8          3HD1      ILE   8   3.847   3.775  -0.005
   97    H    GLY   9           H        GLY   9   2.679  -0.742  -0.682
   98   1HA   GLY   9          2HA       GLY   9   2.290  -3.282  -0.276
   99   2HA   GLY   9          1HA       GLY   9   3.322  -3.024   1.132
  100    H    ILE  10           H        ILE  10   0.668  -1.059  -0.251
  101    HA   ILE  10           HA       ILE  10  -0.769  -1.357   2.364
  102    HB   ILE  10           HB       ILE  10  -0.528   1.178   0.720
  103   1HG1  ILE  10          2HG1      ILE  10   1.009   0.552   3.250
  104   2HG1  ILE  10          1HG1      ILE  10   1.685   0.252   1.650
  105   1HG2  ILE  10          1HG2      ILE  10  -0.955   1.833   3.364
  106   2HG2  ILE  10          2HG2      ILE  10  -1.901   0.355   3.188
  107   3HG2  ILE  10          3HG2      ILE  10  -2.215   1.734   2.133
  108   1HD1  ILE  10          1HD1      ILE  10   1.850   2.498   1.142
  109   2HD1  ILE  10          2HD1      ILE  10   2.054   2.583   2.892
  110   3HD1  ILE  10          3HD1      ILE  10   0.485   2.938   2.169
  111    H    GLY  11           H        GLY  11  -0.983  -2.285  -0.662
  112   1HA   GLY  11          2HA       GLY  11  -3.194  -1.218  -1.948
  113   2HA   GLY  11          1HA       GLY  11  -2.838  -2.945  -1.958
  114    H    LYS  12           H        LYS  12  -3.372  -3.861   0.478
  115    HA   LYS  12           HA       LYS  12  -6.127  -4.145   0.693
  116   1HB   LYS  12          2HB       LYS  12  -3.904  -5.005   2.032
  117   2HB   LYS  12          1HB       LYS  12  -4.669  -3.995   3.261
  118   1HG   LYS  12          2HG       LYS  12  -6.857  -5.264   2.505
  119   2HG   LYS  12          1HG       LYS  12  -5.709  -6.476   1.935
  120   1HD   LYS  12          2HD       LYS  12  -5.558  -7.253   4.040
  121   2HD   LYS  12          1HD       LYS  12  -4.830  -5.717   4.512
  122   1HE   LYS  12          2HE       LYS  12  -7.815  -5.822   4.235
  123   2HE   LYS  12          1HE       LYS  12  -7.074  -6.546   5.677
  124   1HZ   LYS  12          1HZ       LYS  12  -6.320  -3.862   4.674
  125   2HZ   LYS  12          2HZ       LYS  12  -5.969  -4.550   6.189
  126   3HZ   LYS  12          3HZ       LYS  12  -7.560  -4.085   5.811
  127    H    PHE  13           H        PHE  13  -4.144  -1.737   2.474
  128    HA   PHE  13           HA       PHE  13  -6.320  -0.480   3.837
  129   1HB   PHE  13          2HB       PHE  13  -3.602  -0.305   3.813
  130   2HB   PHE  13          1HB       PHE  13  -4.021   1.174   2.949
  131    HD1  PHE  13           HD1      PHE  13  -2.943   0.497   5.954
  132    HD2  PHE  13           HD2      PHE  13  -6.638   1.821   4.213
  133    HE1  PHE  13           HE1      PHE  13  -3.563   1.585   8.095
  134    HE2  PHE  13           HE2      PHE  13  -7.259   2.909   6.353
  135    HZ   PHE  13           HZ       PHE  13  -5.721   2.789   8.295
  136    H    LEU  14           H        LEU  14  -4.742   0.260   0.731
  137    HA   LEU  14           HA       LEU  14  -6.381   2.547   0.093
  138   1HB   LEU  14          2HB       LEU  14  -4.366   0.780  -1.142
  139   2HB   LEU  14          1HB       LEU  14  -5.496   1.489  -2.295
  140    HG   LEU  14           HG       LEU  14  -3.460   2.900  -1.898
  141   1HD1  LEU  14          1HD1      LEU  14  -6.216   3.908  -1.197
  142   2HD1  LEU  14          2HD1      LEU  14  -5.329   4.096  -2.710
  143   3HD1  LEU  14          3HD1      LEU  14  -4.836   5.003  -1.278
  144   1HD2  LEU  14          1HD2      LEU  14  -4.060   2.283   0.806
  145   2HD2  LEU  14          2HD2      LEU  14  -4.312   4.018   0.618
  146   3HD2  LEU  14          3HD2      LEU  14  -2.754   3.303   0.204
  147    H    HIS  15           H        HIS  15  -6.738  -0.931  -0.371
  148    HA   HIS  15           HA       HIS  15  -8.916  -0.805  -2.263
  149   1HB   HIS  15          2HB       HIS  15  -7.188  -2.663  -1.533
  150   2HB   HIS  15          1HB       HIS  15  -8.432  -3.054  -0.347
  151    HD1  HIS  15           HD1      HIS  15  -9.333  -5.174  -1.373
  152    HD2  HIS  15           HD2      HIS  15  -9.234  -2.021  -4.088
  153    HE1  HIS  15           HE1      HIS  15 -10.571  -5.971  -3.436
  154    H    SER  16           H        SER  16  -8.777  -1.575   1.178
  155    HA   SER  16           HA       SER  16 -11.507  -1.834   1.736
  156   1HB   SER  16          2HB       SER  16 -10.003  -2.379   3.450
  157   2HB   SER  16          1HB       SER  16  -9.097  -0.881   3.251
  158    HG   SER  16           HG       SER  16 -10.764   0.229   4.218
  159    H    ALA  17           H        ALA  17  -9.605   1.078   1.360
  160    HA   ALA  17           HA       ALA  17 -11.656   2.912   2.293
  161   1HB   ALA  17          1HB       ALA  17  -9.775   4.162   2.278
  162   2HB   ALA  17          2HB       ALA  17  -9.840   4.180   0.515
  163   3HB   ALA  17          3HB       ALA  17  -8.931   2.922   1.353
  164    H    LYS  18           H        LYS  18 -10.705   1.603  -0.866
  165    HA   LYS  18           HA       LYS  18 -12.437   3.352  -2.407
  166   1HB   LYS  18          2HB       LYS  18 -10.299   1.857  -2.961
  167   2HB   LYS  18          1HB       LYS  18 -11.536   0.663  -3.357
  168   1HG   LYS  18          2HG       LYS  18 -12.641   2.551  -4.736
  169   2HG   LYS  18          1HG       LYS  18 -11.087   3.377  -4.595
  170   1HD   LYS  18          2HD       LYS  18 -10.209   0.946  -5.348
  171   2HD   LYS  18          1HD       LYS  18 -11.796   0.920  -6.117
  172   1HE   LYS  18          2HE       LYS  18 -10.789   3.487  -6.663
  173   2HE   LYS  18          1HE       LYS  18  -9.420   2.386  -6.916
  174   1HZ   LYS  18          1HZ       LYS  18 -10.622   2.318  -8.914
  175   2HZ   LYS  18          2HZ       LYS  18 -12.122   2.249  -8.121
  176   3HZ   LYS  18          3HZ       LYS  18 -11.082   0.906  -8.095
  177    H    LYS  19           H        LYS  19 -13.062   0.740  -0.372
  178    HA   LYS  19           HA       LYS  19 -15.677   0.206  -1.749
  179   1HB   LYS  19          2HB       LYS  19 -14.288  -1.740  -1.909
  180   2HB   LYS  19          1HB       LYS  19 -13.761  -1.582  -0.233
  181   1HG   LYS  19          2HG       LYS  19 -15.493  -3.367  -0.563
  182   2HG   LYS  19          1HG       LYS  19 -15.986  -2.115   0.576
  183   1HD   LYS  19          2HD       LYS  19 -17.853  -2.516  -0.894
  184   2HD   LYS  19          1HD       LYS  19 -17.159  -0.958  -1.343
  185   1HE   LYS  19          2HE       LYS  19 -16.553  -1.708  -3.407
  186   2HE   LYS  19          1HE       LYS  19 -15.941  -3.241  -2.756
  187   1HZ   LYS  19          1HZ       LYS  19 -18.179  -4.035  -2.501
  188   2HZ   LYS  19          2HZ       LYS  19 -17.968  -3.529  -4.109
  189   3HZ   LYS  19          3HZ       LYS  19 -18.819  -2.550  -3.013
  190    H    PHE  20           H        PHE  20 -14.003   1.018   1.204
  191    HA   PHE  20           HA       PHE  20 -16.642   1.347   2.566
  192   1HB   PHE  20          2HB       PHE  20 -14.984  -0.763   3.039
  193   2HB   PHE  20          1HB       PHE  20 -14.346   0.406   4.194
  194    HD1  PHE  20           HD1      PHE  20 -15.824   1.384   5.943
  195    HD2  PHE  20           HD2      PHE  20 -17.169  -1.741   3.321
  196    HE1  PHE  20           HE1      PHE  20 -17.733   0.930   7.462
  197    HE2  PHE  20           HE2      PHE  20 -19.076  -2.195   4.839
  198    HZ   PHE  20           HZ       PHE  20 -19.358  -0.859   6.910
  199   1HN   NH2  21          1HN       NH2  21 -13.792   2.797   1.558
  200   2HN   NH2  21          2HN       NH2  21 -13.675   4.026   2.716
  Start of MODEL   17
    1   1H    LYS   1          1H        LYS   1   6.269   6.709  -5.463
    2   2H    LYS   1          2H        LYS   1   6.041   7.555  -6.918
    3   3H    LYS   1          3H        LYS   1   7.288   8.007  -5.855
    4    HA   LYS   1           HA       LYS   1   7.313   6.037  -7.924
    5   1HB   LYS   1          2HB       LYS   1   8.844   8.012  -7.366
    6   2HB   LYS   1          1HB       LYS   1   9.479   7.023  -6.051
    7   1HG   LYS   1          2HG       LYS   1   9.390   5.469  -8.481
    8   2HG   LYS   1          1HG       LYS   1  10.271   6.970  -8.764
    9   1HD   LYS   1          2HD       LYS   1  12.017   6.292  -7.504
   10   2HD   LYS   1          1HD       LYS   1  10.959   5.759  -6.198
   11   1HE   LYS   1          2HE       LYS   1  11.216   3.600  -6.825
   12   2HE   LYS   1          1HE       LYS   1  10.691   3.987  -8.477
   13   1HZ   LYS   1          1HZ       LYS   1  12.913   4.904  -8.897
   14   2HZ   LYS   1          2HZ       LYS   1  12.976   3.250  -8.514
   15   3HZ   LYS   1          3HZ       LYS   1  13.410   4.410  -7.352
   16    H    LEU   2           H        LEU   2   6.562   3.997  -7.286
   17    HA   LEU   2           HA       LEU   2   8.214   2.573  -5.272
   18   1HB   LEU   2          2HB       LEU   2   5.419   3.474  -4.973
   19   2HB   LEU   2          1HB       LEU   2   5.674   1.773  -4.584
   20    HG   LEU   2           HG       LEU   2   7.741   3.573  -3.504
   21   1HD1  LEU   2          1HD1      LEU   2   6.398   5.074  -2.500
   22   2HD1  LEU   2          2HD1      LEU   2   5.558   3.758  -1.678
   23   3HD1  LEU   2          3HD1      LEU   2   4.986   4.325  -3.247
   24   1HD2  LEU   2          1HD2      LEU   2   6.790   2.166  -1.420
   25   2HD2  LEU   2          2HD2      LEU   2   7.895   1.459  -2.599
   26   3HD2  LEU   2          3HD2      LEU   2   6.161   1.164  -2.728
   27    H    LYS   3           H        LYS   3   8.414   0.387  -5.807
   28    HA   LYS   3           HA       LYS   3   6.650  -0.650  -7.998
   29   1HB   LYS   3          2HB       LYS   3   9.660  -0.880  -7.669
   30   2HB   LYS   3          1HB       LYS   3   8.725  -1.683  -8.932
   31   1HG   LYS   3          2HG       LYS   3   7.846   0.898  -9.179
   32   2HG   LYS   3          1HG       LYS   3   9.523   1.149  -8.696
   33   1HD   LYS   3          2HD       LYS   3  10.087   0.772 -10.846
   34   2HD   LYS   3          1HD       LYS   3   9.650  -0.916 -10.573
   35   1HE   LYS   3          2HE       LYS   3   7.179   0.195 -10.986
   36   2HE   LYS   3          1HE       LYS   3   8.189   1.176 -12.067
   37   1HZ   LYS   3          1HZ       LYS   3   8.461  -1.768 -11.922
   38   2HZ   LYS   3          2HZ       LYS   3   9.014  -0.715 -13.136
   39   3HZ   LYS   3          3HZ       LYS   3   7.353  -1.033 -12.976
   40    H    LEU   4           H        LEU   4   7.545  -1.018  -4.852
   41    HA   LEU   4           HA       LEU   4   7.228  -4.001  -4.954
   42   1HB   LEU   4          2HB       LEU   4   9.112  -2.175  -3.592
   43   2HB   LEU   4          1HB       LEU   4   8.447  -3.439  -2.557
   44    HG   LEU   4           HG       LEU   4   9.003  -4.928  -4.726
   45   1HD1  LEU   4          1HD1      LEU   4   9.984  -2.603  -5.625
   46   2HD1  LEU   4          2HD1      LEU   4  10.733  -4.147  -6.033
   47   3HD1  LEU   4          3HD1      LEU   4  11.404  -3.157  -4.736
   48   1HD2  LEU   4          1HD2      LEU   4  10.262  -5.895  -3.127
   49   2HD2  LEU   4          2HD2      LEU   4  10.188  -4.414  -2.171
   50   3HD2  LEU   4          3HD2      LEU   4  11.488  -4.645  -3.340
   51    H    PHE   5           H        PHE   5   4.864  -2.916  -4.935
   52    HA   PHE   5           HA       PHE   5   3.907  -1.923  -2.380
   53   1HB   PHE   5          2HB       PHE   5   2.986  -2.406  -5.085
   54   2HB   PHE   5          1HB       PHE   5   1.781  -2.943  -3.916
   55    HD1  PHE   5           HD1      PHE   5   0.447  -1.382  -2.741
   56    HD2  PHE   5           HD2      PHE   5   3.940  -0.043  -4.853
   57    HE1  PHE   5           HE1      PHE   5  -0.214   0.974  -2.340
   58    HE2  PHE   5           HE2      PHE   5   3.280   2.314  -4.450
   59    HZ   PHE   5           HZ       PHE   5   1.202   2.823  -3.193
   60    H    LYS   6           H        LYS   6   4.357  -5.037  -3.795
   61    HA   LYS   6           HA       LYS   6   2.500  -6.538  -2.164
   62   1HB   LYS   6          2HB       LYS   6   3.242  -7.507  -4.190
   63   2HB   LYS   6          1HB       LYS   6   4.928  -7.108  -3.865
   64   1HG   LYS   6          2HG       LYS   6   4.726  -8.722  -1.852
   65   2HG   LYS   6          1HG       LYS   6   3.248  -9.290  -2.629
   66   1HD   LYS   6          2HD       LYS   6   6.002  -9.228  -3.898
   67   2HD   LYS   6          1HD       LYS   6   5.177 -10.669  -3.303
   68   1HE   LYS   6          2HE       LYS   6   3.962  -8.866  -5.416
   69   2HE   LYS   6          1HE       LYS   6   4.963 -10.275  -5.816
   70   1HZ   LYS   6          1HZ       LYS   6   2.308 -10.363  -5.270
   71   2HZ   LYS   6          2HZ       LYS   6   2.998 -10.799  -3.781
   72   3HZ   LYS   6          3HZ       LYS   6   3.366 -11.684  -5.184
   73    H    LYS   7           H        LYS   7   5.766  -5.352  -1.711
   74    HA   LYS   7           HA       LYS   7   6.742  -7.032   0.317
   75   1HB   LYS   7          2HB       LYS   7   7.699  -4.965  -0.993
   76   2HB   LYS   7          1HB       LYS   7   7.108  -4.060   0.401
   77   1HG   LYS   7          2HG       LYS   7   8.657  -6.527   0.989
   78   2HG   LYS   7          1HG       LYS   7   9.565  -5.166   0.331
   79   1HD   LYS   7          2HD       LYS   7   9.073  -3.786   2.148
   80   2HD   LYS   7          1HD       LYS   7   7.626  -4.700   2.578
   81   1HE   LYS   7          2HE       LYS   7   8.858  -5.854   4.087
   82   2HE   LYS   7          1HE       LYS   7   9.834  -6.499   2.751
   83   1HZ   LYS   7          1HZ       LYS   7  11.353  -4.794   2.908
   84   2HZ   LYS   7          2HZ       LYS   7  10.960  -5.021   4.546
   85   3HZ   LYS   7          3HZ       LYS   7  10.270  -3.738   3.674
   86    H    ILE   8           H        ILE   8   5.338  -3.863   0.950
   87    HA   ILE   8           HA       ILE   8   4.759  -4.557   3.732
   88    HB   ILE   8           HB       ILE   8   3.902  -2.126   2.141
   89   1HG1  ILE   8          2HG1      ILE   8   6.494  -2.313   3.663
   90   2HG1  ILE   8          1HG1      ILE   8   6.425  -2.820   1.981
   91   1HG2  ILE   8          1HG2      ILE   8   3.928  -2.925   4.956
   92   2HG2  ILE   8          2HG2      ILE   8   3.064  -1.602   4.174
   93   3HG2  ILE   8          3HG2      ILE   8   4.740  -1.384   4.679
   94   1HD1  ILE   8          1HD1      ILE   8   6.726  -0.651   1.437
   95   2HD1  ILE   8          2HD1      ILE   8   6.426  -0.126   3.095
   96   3HD1  ILE   8          3HD1      ILE   8   5.073  -0.385   1.994
   97    H    GLY   9           H        GLY   9   2.833  -3.915   0.794
   98   1HA   GLY   9          2HA       GLY   9   0.721  -4.977   0.320
   99   2HA   GLY   9          1HA       GLY   9   0.582  -5.402   2.028
  100    H    ILE  10           H        ILE  10   1.464  -2.190   0.922
  101    HA   ILE  10           HA       ILE  10  -0.446  -0.845   2.549
  102    HB   ILE  10           HB       ILE  10   1.107  -0.084   0.061
  103   1HG1  ILE  10          2HG1      ILE  10   1.517   0.410   3.029
  104   2HG1  ILE  10          1HG1      ILE  10   2.473  -0.662   2.007
  105   1HG2  ILE  10          1HG2      ILE  10  -0.560   1.616   1.933
  106   2HG2  ILE  10          2HG2      ILE  10  -0.720   1.473   0.182
  107   3HG2  ILE  10          3HG2      ILE  10   0.683   2.285   0.876
  108   1HD1  ILE  10          1HD1      ILE  10   3.027   1.369   0.584
  109   2HD1  ILE  10          2HD1      ILE  10   3.719   1.378   2.206
  110   3HD1  ILE  10          3HD1      ILE  10   2.295   2.355   1.849
  111    H    GLY  11           H        GLY  11  -0.857  -2.488  -0.448
  112   1HA   GLY  11          2HA       GLY  11  -2.979  -0.933  -1.590
  113   2HA   GLY  11          1HA       GLY  11  -2.676  -2.640  -1.924
  114    H    LYS  12           H        LYS  12  -3.101  -3.900   0.419
  115    HA   LYS  12           HA       LYS  12  -5.813  -4.313   0.689
  116   1HB   LYS  12          2HB       LYS  12  -3.389  -4.688   2.275
  117   2HB   LYS  12          1HB       LYS  12  -4.821  -4.522   3.289
  118   1HG   LYS  12          2HG       LYS  12  -4.550  -6.868   2.742
  119   2HG   LYS  12          1HG       LYS  12  -5.953  -6.254   1.866
  120   1HD   LYS  12          2HD       LYS  12  -4.654  -6.028  -0.171
  121   2HD   LYS  12          1HD       LYS  12  -3.170  -6.452   0.681
  122   1HE   LYS  12          2HE       LYS  12  -3.750  -8.710   0.847
  123   2HE   LYS  12          1HE       LYS  12  -5.489  -8.373   0.727
  124   1HZ   LYS  12          1HZ       LYS  12  -4.709  -9.217  -1.373
  125   2HZ   LYS  12          2HZ       LYS  12  -3.469  -8.057  -1.431
  126   3HZ   LYS  12          3HZ       LYS  12  -5.094  -7.575  -1.553
  127    H    PHE  13           H        PHE  13  -3.970  -1.612   2.009
  128    HA   PHE  13           HA       PHE  13  -6.134  -0.683   3.753
  129   1HB   PHE  13          2HB       PHE  13  -3.352  -0.225   3.297
  130   2HB   PHE  13          1HB       PHE  13  -4.179   1.325   3.131
  131    HD1  PHE  13           HD1      PHE  13  -6.516   0.675   5.013
  132    HD2  PHE  13           HD2      PHE  13  -2.266   0.185   5.403
  133    HE1  PHE  13           HE1      PHE  13  -6.725   0.826   7.479
  134    HE2  PHE  13           HE2      PHE  13  -2.474   0.333   7.869
  135    HZ   PHE  13           HZ       PHE  13  -4.703   0.654   8.907
  136    H    LEU  14           H        LEU  14  -4.838   0.182   0.549
  137    HA   LEU  14           HA       LEU  14  -6.577   2.486   0.201
  138   1HB   LEU  14          2HB       LEU  14  -5.016   0.776  -1.760
  139   2HB   LEU  14          1HB       LEU  14  -5.665   2.380  -2.098
  140    HG   LEU  14           HG       LEU  14  -3.804   1.911   0.230
  141   1HD1  LEU  14          1HD1      LEU  14  -3.168   2.209  -2.692
  142   2HD1  LEU  14          2HD1      LEU  14  -2.392   1.190  -1.481
  143   3HD1  LEU  14          3HD1      LEU  14  -2.090   2.927  -1.495
  144   1HD2  LEU  14          1HD2      LEU  14  -4.987   4.028   0.237
  145   2HD2  LEU  14          2HD2      LEU  14  -4.595   4.306  -1.460
  146   3HD2  LEU  14          3HD2      LEU  14  -3.320   4.344  -0.240
  147    H    HIS  15           H        HIS  15  -6.881  -0.963  -0.403
  148    HA   HIS  15           HA       HIS  15  -9.080  -0.777  -2.280
  149   1HB   HIS  15          2HB       HIS  15  -7.314  -2.660  -1.573
  150   2HB   HIS  15          1HB       HIS  15  -8.634  -3.129  -0.507
  151    HD1  HIS  15           HD1      HIS  15 -10.672  -1.915  -2.894
  152    HD2  HIS  15           HD2      HIS  15  -7.982  -5.095  -3.083
  153    HE1  HIS  15           HE1      HIS  15 -11.445  -3.396  -4.800
  154    H    SER  16           H        SER  16  -8.833  -1.544   1.153
  155    HA   SER  16           HA       SER  16 -11.592  -1.836   1.744
  156   1HB   SER  16          2HB       SER  16  -9.483  -0.620   3.541
  157   2HB   SER  16          1HB       SER  16 -10.860  -1.607   4.022
  158    HG   SER  16           HG       SER  16  -9.817  -3.261   2.614
  159    H    ALA  17           H        ALA  17  -9.755   0.937   0.952
  160    HA   ALA  17           HA       ALA  17 -11.589   2.878   2.204
  161   1HB   ALA  17          1HB       ALA  17  -8.953   2.780   0.943
  162   2HB   ALA  17          2HB       ALA  17  -9.580   3.931   2.122
  163   3HB   ALA  17          3HB       ALA  17  -9.890   4.171   0.402
  164    H    LYS  18           H        LYS  18 -10.774   1.714  -1.066
  165    HA   LYS  18           HA       LYS  18 -12.606   3.475  -2.435
  166   1HB   LYS  18          2HB       LYS  18 -10.583   1.640  -3.034
  167   2HB   LYS  18          1HB       LYS  18 -12.035   0.933  -3.745
  168   1HG   LYS  18          2HG       LYS  18 -10.899   3.695  -4.247
  169   2HG   LYS  18          1HG       LYS  18 -11.087   2.383  -5.412
  170   1HD   LYS  18          2HD       LYS  18 -13.635   2.561  -4.652
  171   2HD   LYS  18          1HD       LYS  18 -13.153   4.214  -4.270
  172   1HE   LYS  18          2HE       LYS  18 -12.715   4.745  -6.496
  173   2HE   LYS  18          1HE       LYS  18 -12.378   3.059  -6.936
  174   1HZ   LYS  18          1HZ       LYS  18 -14.602   2.509  -6.925
  175   2HZ   LYS  18          2HZ       LYS  18 -14.656   4.084  -7.562
  176   3HZ   LYS  18          3HZ       LYS  18 -15.040   3.811  -5.931
  177    H    LYS  19           H        LYS  19 -13.143   0.853  -0.403
  178    HA   LYS  19           HA       LYS  19 -15.792   0.252  -1.682
  179   1HB   LYS  19          2HB       LYS  19 -14.121  -1.388   0.251
  180   2HB   LYS  19          1HB       LYS  19 -15.576  -1.926  -0.591
  181   1HG   LYS  19          2HG       LYS  19 -13.426  -0.833  -2.316
  182   2HG   LYS  19          1HG       LYS  19 -13.066  -2.371  -1.529
  183   1HD   LYS  19          2HD       LYS  19 -14.713  -3.501  -2.674
  184   2HD   LYS  19          1HD       LYS  19 -15.756  -2.083  -2.783
  185   1HE   LYS  19          2HE       LYS  19 -13.203  -2.501  -4.385
  186   2HE   LYS  19          1HE       LYS  19 -14.854  -2.663  -5.015
  187   1HZ   LYS  19          1HZ       LYS  19 -13.357  -0.298  -4.582
  188   2HZ   LYS  19          2HZ       LYS  19 -14.759  -0.261  -3.624
  189   3HZ   LYS  19          3HZ       LYS  19 -14.879  -0.470  -5.307
  190    H    PHE  20           H        PHE  20 -14.212   1.664   1.012
  191    HA   PHE  20           HA       PHE  20 -16.833   1.969   2.406
  192   1HB   PHE  20          2HB       PHE  20 -14.216   0.996   3.602
  193   2HB   PHE  20          1HB       PHE  20 -15.645   1.419   4.547
  194    HD1  PHE  20           HD1      PHE  20 -14.093  -1.067   2.374
  195    HD2  PHE  20           HD2      PHE  20 -17.751   0.106   4.298
  196    HE1  PHE  20           HE1      PHE  20 -15.025  -3.331   1.983
  197    HE2  PHE  20           HE2      PHE  20 -18.683  -2.159   3.907
  198    HZ   PHE  20           HZ       PHE  20 -17.320  -3.878   2.750
  199   1HN   NH2  21          1HN       NH2  21 -13.450   3.038   1.979
  200   2HN   NH2  21          2HN       NH2  21 -13.697   4.620   2.527
  Start of MODEL   18
    1   1H    LYS   1          1H        LYS   1   6.156 -13.402  -8.740
    2   2H    LYS   1          2H        LYS   1   7.182 -12.632  -7.627
    3   3H    LYS   1          3H        LYS   1   7.637 -14.114  -8.322
    4    HA   LYS   1           HA       LYS   1   8.685 -11.961  -9.248
    5   1HB   LYS   1          2HB       LYS   1   8.446 -14.482 -10.063
    6   2HB   LYS   1          1HB       LYS   1   7.421 -13.747 -11.296
    7   1HG   LYS   1          2HG       LYS   1   9.951 -12.310 -10.824
    8   2HG   LYS   1          1HG       LYS   1  10.154 -13.940 -11.468
    9   1HD   LYS   1          2HD       LYS   1   8.252 -11.907 -12.659
   10   2HD   LYS   1          1HD       LYS   1   9.904 -12.143 -13.230
   11   1HE   LYS   1          2HE       LYS   1   9.379 -14.552 -13.656
   12   2HE   LYS   1          1HE       LYS   1   7.693 -14.229 -13.200
   13   1HZ   LYS   1          1HZ       LYS   1   7.413 -12.754 -14.954
   14   2HZ   LYS   1          2HZ       LYS   1   8.338 -13.992 -15.660
   15   3HZ   LYS   1          3HZ       LYS   1   9.079 -12.539 -15.186
   16    H    LEU   2           H        LEU   2   6.832 -10.328  -8.660
   17    HA   LEU   2           HA       LEU   2   5.402  -9.632 -11.197
   18   1HB   LEU   2          2HB       LEU   2   4.361 -10.420  -8.605
   19   2HB   LEU   2          1HB       LEU   2   3.825  -8.790  -9.016
   20    HG   LEU   2           HG       LEU   2   3.702 -10.775 -11.216
   21   1HD1  LEU   2          1HD1      LEU   2   2.111 -11.000  -8.672
   22   2HD1  LEU   2          2HD1      LEU   2   2.830 -12.281  -9.648
   23   3HD1  LEU   2          3HD1      LEU   2   1.379 -11.451 -10.212
   24   1HD2  LEU   2          1HD2      LEU   2   1.567  -8.899 -10.186
   25   2HD2  LEU   2          2HD2      LEU   2   1.786  -9.510 -11.825
   26   3HD2  LEU   2          3HD2      LEU   2   2.909  -8.317 -11.172
   27    H    LYS   3           H        LYS   3   4.416  -7.243 -10.724
   28    HA   LYS   3           HA       LYS   3   6.753  -5.609  -9.832
   29   1HB   LYS   3          2HB       LYS   3   5.902  -5.382 -12.150
   30   2HB   LYS   3          1HB       LYS   3   4.313  -4.949 -11.518
   31   1HG   LYS   3          2HG       LYS   3   4.967  -2.838 -10.955
   32   2HG   LYS   3          1HG       LYS   3   6.571  -3.364 -10.445
   33   1HD   LYS   3          2HD       LYS   3   7.109  -3.713 -12.908
   34   2HD   LYS   3          1HD       LYS   3   5.604  -2.866 -13.268
   35   1HE   LYS   3          2HE       LYS   3   6.752  -1.156 -11.450
   36   2HE   LYS   3          1HE       LYS   3   8.175  -1.777 -12.311
   37   1HZ   LYS   3          1HZ       LYS   3   5.776  -1.075 -13.852
   38   2HZ   LYS   3          2HZ       LYS   3   7.408  -1.041 -14.324
   39   3HZ   LYS   3          3HZ       LYS   3   6.785   0.179 -13.317
   40    H    LEU   4           H        LEU   4   5.412  -6.540  -7.649
   41    HA   LEU   4           HA       LEU   4   4.145  -4.084  -6.591
   42   1HB   LEU   4          2HB       LEU   4   2.262  -5.705  -5.713
   43   2HB   LEU   4          1HB       LEU   4   2.170  -5.074  -7.354
   44    HG   LEU   4           HG       LEU   4   3.450  -7.220  -8.045
   45   1HD1  LEU   4          1HD1      LEU   4   2.707  -9.093  -6.347
   46   2HD1  LEU   4          2HD1      LEU   4   2.726  -7.767  -5.185
   47   3HD1  LEU   4          3HD1      LEU   4   4.196  -8.193  -6.061
   48   1HD2  LEU   4          1HD2      LEU   4   1.045  -8.452  -7.373
   49   2HD2  LEU   4          2HD2      LEU   4   1.353  -7.513  -8.834
   50   3HD2  LEU   4          3HD2      LEU   4   0.640  -6.737  -7.420
   51    H    PHE   5           H        PHE   5   6.347  -4.402  -5.468
   52    HA   PHE   5           HA       PHE   5   6.637  -6.571  -3.557
   53   1HB   PHE   5          2HB       PHE   5   7.995  -3.892  -3.934
   54   2HB   PHE   5          1HB       PHE   5   8.550  -5.125  -2.802
   55    HD1  PHE   5           HD1      PHE   5   7.975  -7.597  -4.365
   56    HD2  PHE   5           HD2      PHE   5   9.707  -3.858  -5.579
   57    HE1  PHE   5           HE1      PHE   5   9.175  -8.750  -6.203
   58    HE2  PHE   5           HE2      PHE   5  10.905  -5.012  -7.420
   59    HZ   PHE   5           HZ       PHE   5  10.639  -7.457  -7.731
   60    H    LYS   6           H        LYS   6   7.000  -3.288  -2.474
   61    HA   LYS   6           HA       LYS   6   5.854  -3.627   0.070
   62   1HB   LYS   6          2HB       LYS   6   5.968  -1.168  -1.708
   63   2HB   LYS   6          1HB       LYS   6   5.757  -1.145   0.043
   64   1HG   LYS   6          2HG       LYS   6   8.069  -2.698  -1.001
   65   2HG   LYS   6          1HG       LYS   6   8.178  -0.942  -1.117
   66   1HD   LYS   6          2HD       LYS   6   7.493  -0.867   1.339
   67   2HD   LYS   6          1HD       LYS   6   7.769  -2.608   1.372
   68   1HE   LYS   6          2HE       LYS   6   9.887  -1.876   1.993
   69   2HE   LYS   6          1HE       LYS   6  10.089  -1.856   0.230
   70   1HZ   LYS   6          1HZ       LYS   6   9.443   0.429   0.160
   71   2HZ   LYS   6          2HZ       LYS   6  10.681   0.280   1.313
   72   3HZ   LYS   6          3HZ       LYS   6   9.066   0.439   1.813
   73    H    LYS   7           H        LYS   7   4.246  -3.336  -2.988
   74    HA   LYS   7           HA       LYS   7   1.755  -2.210  -2.150
   75   1HB   LYS   7          2HB       LYS   7   2.775  -2.666  -4.488
   76   2HB   LYS   7          1HB       LYS   7   2.117  -4.292  -4.300
   77   1HG   LYS   7          2HG       LYS   7  -0.132  -3.292  -3.885
   78   2HG   LYS   7          1HG       LYS   7   0.551  -1.697  -4.208
   79   1HD   LYS   7          2HD       LYS   7   1.147  -3.723  -6.270
   80   2HD   LYS   7          1HD       LYS   7  -0.563  -3.312  -6.121
   81   1HE   LYS   7          2HE       LYS   7   0.078  -0.875  -6.263
   82   2HE   LYS   7          1HE       LYS   7   1.736  -1.393  -6.628
   83   1HZ   LYS   7          1HZ       LYS   7   0.287  -2.970  -8.248
   84   2HZ   LYS   7          2HZ       LYS   7   0.993  -1.503  -8.731
   85   3HZ   LYS   7          3HZ       LYS   7  -0.641  -1.552  -8.272
   86    H    ILE   8           H        ILE   8   3.141  -5.323  -1.667
   87    HA   ILE   8           HA       ILE   8   0.593  -6.703  -1.184
   88    HB   ILE   8           HB       ILE   8   3.528  -7.374  -0.893
   89   1HG1  ILE   8          2HG1      ILE   8   1.337  -7.884  -2.882
   90   2HG1  ILE   8          1HG1      ILE   8   3.003  -7.397  -3.167
   91   1HG2  ILE   8          1HG2      ILE   8   2.219  -8.581   0.830
   92   2HG2  ILE   8          2HG2      ILE   8   2.814  -9.683  -0.411
   93   3HG2  ILE   8          3HG2      ILE   8   1.127  -9.173  -0.422
   94   1HD1  ILE   8          1HD1      ILE   8   3.008  -9.642  -3.852
   95   2HD1  ILE   8          2HD1      ILE   8   1.921 -10.138  -2.554
   96   3HD1  ILE   8          3HD1      ILE   8   3.602  -9.747  -2.195
   97    H    GLY   9           H        GLY   9   2.624  -4.646   0.627
   98   1HA   GLY   9          2HA       GLY   9   1.707  -5.848   3.201
   99   2HA   GLY   9          1HA       GLY   9   3.067  -4.734   3.039
  100    H    ILE  10           H        ILE  10   1.987  -2.705   1.521
  101    HA   ILE  10           HA       ILE  10  -0.218  -1.689   3.288
  102    HB   ILE  10           HB       ILE  10   1.805  -0.045   1.752
  103   1HG1  ILE  10          2HG1      ILE  10   2.542  -0.138   4.476
  104   2HG1  ILE  10          1HG1      ILE  10   2.279  -1.816   3.996
  105   1HG2  ILE  10          1HG2      ILE  10   0.158   1.391   2.545
  106   2HG2  ILE  10          2HG2      ILE  10   1.280   1.394   3.906
  107   3HG2  ILE  10          3HG2      ILE  10  -0.173   0.396   3.963
  108   1HD1  ILE  10          1HD1      ILE  10   4.596  -0.416   3.538
  109   2HD1  ILE  10          2HD1      ILE  10   3.745  -0.205   2.008
  110   3HD1  ILE  10          3HD1      ILE  10   4.083  -1.828   2.612
  111    H    GLY  11           H        GLY  11  -0.898  -3.190   0.996
  112   1HA   GLY  11          2HA       GLY  11  -1.735  -1.084  -0.957
  113   2HA   GLY  11          1HA       GLY  11  -1.530  -2.787  -1.371
  114    H    LYS  12           H        LYS  12  -2.826  -3.901   0.901
  115    HA   LYS  12           HA       LYS  12  -5.551  -3.934   0.064
  116   1HB   LYS  12          2HB       LYS  12  -4.713  -5.783   1.271
  117   2HB   LYS  12          1HB       LYS  12  -3.996  -4.758   2.515
  118   1HG   LYS  12          2HG       LYS  12  -6.229  -4.150   3.333
  119   2HG   LYS  12          1HG       LYS  12  -6.974  -5.122   2.064
  120   1HD   LYS  12          2HD       LYS  12  -6.670  -7.036   3.223
  121   2HD   LYS  12          1HD       LYS  12  -4.989  -6.635   3.579
  122   1HE   LYS  12          2HE       LYS  12  -5.700  -5.187   5.438
  123   2HE   LYS  12          1HE       LYS  12  -7.401  -5.531   5.066
  124   1HZ   LYS  12          1HZ       LYS  12  -6.640  -7.974   5.183
  125   2HZ   LYS  12          2HZ       LYS  12  -6.900  -7.136   6.638
  126   3HZ   LYS  12          3HZ       LYS  12  -5.319  -7.370   6.061
  127    H    PHE  13           H        PHE  13  -3.811  -1.637   1.920
  128    HA   PHE  13           HA       PHE  13  -5.946  -0.670   3.616
  129   1HB   PHE  13          2HB       PHE  13  -3.186  -0.045   2.871
  130   2HB   PHE  13          1HB       PHE  13  -4.147   1.404   3.164
  131    HD1  PHE  13           HD1      PHE  13  -5.769   1.211   5.293
  132    HD2  PHE  13           HD2      PHE  13  -2.164  -1.049   4.707
  133    HE1  PHE  13           HE1      PHE  13  -5.618   0.819   7.737
  134    HE2  PHE  13           HE2      PHE  13  -2.014  -1.444   7.151
  135    HZ   PHE  13           HZ       PHE  13  -3.741  -0.508   8.666
  136    H    LEU  14           H        LEU  14  -4.972  -0.045   0.293
  137    HA   LEU  14           HA       LEU  14  -6.591   2.385   0.022
  138   1HB   LEU  14          2HB       LEU  14  -4.474   1.108  -1.299
  139   2HB   LEU  14          1HB       LEU  14  -5.823   1.020  -2.433
  140    HG   LEU  14           HG       LEU  14  -5.504   3.625  -1.071
  141   1HD1  LEU  14          1HD1      LEU  14  -3.178   2.410  -2.022
  142   2HD1  LEU  14          2HD1      LEU  14  -3.412   4.137  -1.752
  143   3HD1  LEU  14          3HD1      LEU  14  -3.693   3.450  -3.351
  144   1HD2  LEU  14          1HD2      LEU  14  -6.792   4.181  -2.833
  145   2HD2  LEU  14          2HD2      LEU  14  -6.707   2.514  -3.401
  146   3HD2  LEU  14          3HD2      LEU  14  -5.511   3.693  -3.942
  147    H    HIS  15           H        HIS  15  -6.932  -1.058  -0.790
  148    HA   HIS  15           HA       HIS  15  -9.265  -0.879  -2.411
  149   1HB   HIS  15          2HB       HIS  15  -7.594  -2.804  -1.836
  150   2HB   HIS  15          1HB       HIS  15  -8.700  -3.124  -0.502
  151    HD1  HIS  15           HD1      HIS  15 -11.265  -2.202  -2.265
  152    HD2  HIS  15           HD2      HIS  15  -8.471  -5.133  -3.254
  153    HE1  HIS  15           HE1      HIS  15 -12.402  -3.743  -3.923
  154    H    SER  16           H        SER  16  -9.027  -1.771   0.991
  155    HA   SER  16           HA       SER  16 -11.730  -1.880   1.673
  156   1HB   SER  16          2HB       SER  16  -9.755  -2.468   3.083
  157   2HB   SER  16          1HB       SER  16  -9.448  -0.749   3.315
  158    HG   SER  16           HG       SER  16 -11.999  -1.786   3.854
  159    H    ALA  17           H        ALA  17  -9.866   0.908   0.885
  160    HA   ALA  17           HA       ALA  17 -11.612   2.860   2.195
  161   1HB   ALA  17          1HB       ALA  17 -10.139   4.168   0.255
  162   2HB   ALA  17          2HB       ALA  17  -9.150   2.746   0.584
  163   3HB   ALA  17          3HB       ALA  17  -9.579   3.843   1.896
  164    H    LYS  18           H        LYS  18 -10.966   2.019  -1.241
  165    HA   LYS  18           HA       LYS  18 -12.970   3.614  -2.415
  166   1HB   LYS  18          2HB       LYS  18 -11.217   2.400  -3.637
  167   2HB   LYS  18          1HB       LYS  18 -11.938   0.861  -3.165
  168   1HG   LYS  18          2HG       LYS  18 -14.048   2.308  -4.304
  169   2HG   LYS  18          1HG       LYS  18 -12.665   2.634  -5.351
  170   1HD   LYS  18          2HD       LYS  18 -13.507  -0.140  -4.465
  171   2HD   LYS  18          1HD       LYS  18 -13.951   0.581  -6.013
  172   1HE   LYS  18          2HE       LYS  18 -11.325   0.990  -6.196
  173   2HE   LYS  18          1HE       LYS  18 -11.274  -0.388  -5.079
  174   1HZ   LYS  18          1HZ       LYS  18 -12.524  -0.244  -7.758
  175   2HZ   LYS  18          2HZ       LYS  18 -12.980  -1.428  -6.627
  176   3HZ   LYS  18          3HZ       LYS  18 -11.378  -1.359  -7.191
  177    H    LYS  19           H        LYS  19 -13.249   0.807  -0.465
  178    HA   LYS  19           HA       LYS  19 -15.959   0.078  -1.351
  179   1HB   LYS  19          2HB       LYS  19 -13.863  -1.252  -0.255
  180   2HB   LYS  19          1HB       LYS  19 -14.793  -0.905   1.202
  181   1HG   LYS  19          2HG       LYS  19 -16.437  -2.361   0.640
  182   2HG   LYS  19          1HG       LYS  19 -16.432  -1.849  -1.050
  183   1HD   LYS  19          2HD       LYS  19 -13.973  -3.242  -0.368
  184   2HD   LYS  19          1HD       LYS  19 -15.387  -4.244  -0.038
  185   1HE   LYS  19          2HE       LYS  19 -14.775  -4.639  -2.343
  186   2HE   LYS  19          1HE       LYS  19 -16.218  -3.605  -2.376
  187   1HZ   LYS  19          1HZ       LYS  19 -13.419  -2.606  -2.427
  188   2HZ   LYS  19          2HZ       LYS  19 -14.828  -1.666  -2.549
  189   3HZ   LYS  19          3HZ       LYS  19 -14.412  -2.743  -3.794
  190    H    PHE  20           H        PHE  20 -14.415   1.795   1.347
  191    HA   PHE  20           HA       PHE  20 -17.051   2.956   2.072
  192   1HB   PHE  20          2HB       PHE  20 -15.473   0.958   3.583
  193   2HB   PHE  20          1HB       PHE  20 -16.046   2.326   4.534
  194    HD1  PHE  20           HD1      PHE  20 -18.325   2.482   5.193
  195    HD2  PHE  20           HD2      PHE  20 -17.159  -0.328   2.161
  196    HE1  PHE  20           HE1      PHE  20 -20.595   1.481   5.246
  197    HE2  PHE  20           HE2      PHE  20 -19.428  -1.329   2.216
  198    HZ   PHE  20           HZ       PHE  20 -21.144  -0.425   3.758
  199   1HN   NH2  21          1HN       NH2  21 -13.504   2.894   2.545
  200   2HN   NH2  21          2HN       NH2  21 -13.358   4.531   2.962
  Start of MODEL   19
    1   1H    LYS   1          1H        LYS   1   7.963  -8.702 -13.863
    2   2H    LYS   1          2H        LYS   1   7.263  -7.720 -15.060
    3   3H    LYS   1          3H        LYS   1   6.555  -9.212 -14.660
    4    HA   LYS   1           HA       LYS   1   6.543  -6.686 -13.128
    5   1HB   LYS   1          2HB       LYS   1   4.757  -8.480 -14.604
    6   2HB   LYS   1          1HB       LYS   1   4.130  -8.062 -13.008
    7   1HG   LYS   1          2HG       LYS   1   4.705  -5.629 -13.594
    8   2HG   LYS   1          1HG       LYS   1   4.895  -6.192 -15.255
    9   1HD   LYS   1          2HD       LYS   1   2.617  -6.911 -15.373
   10   2HD   LYS   1          1HD       LYS   1   2.399  -6.727 -13.632
   11   1HE   LYS   1          2HE       LYS   1   3.127  -4.203 -14.195
   12   2HE   LYS   1          1HE       LYS   1   2.417  -4.635 -15.763
   13   1HZ   LYS   1          1HZ       LYS   1   0.942  -3.853 -13.708
   14   2HZ   LYS   1          2HZ       LYS   1   0.986  -5.521 -13.384
   15   3HZ   LYS   1          3HZ       LYS   1   0.379  -4.956 -14.867
   16    H    LEU   2           H        LEU   2   8.195  -7.853 -11.613
   17    HA   LEU   2           HA       LEU   2   6.755  -9.736  -9.773
   18   1HB   LEU   2          2HB       LEU   2   9.592  -9.372 -10.686
   19   2HB   LEU   2          1HB       LEU   2   9.286 -10.118  -9.117
   20    HG   LEU   2           HG       LEU   2   7.980 -11.048 -11.686
   21   1HD1  LEU   2          1HD1      LEU   2  10.371 -12.228 -10.238
   22   2HD1  LEU   2          2HD1      LEU   2  10.459 -11.323 -11.749
   23   3HD1  LEU   2          3HD1      LEU   2   9.611 -12.867 -11.695
   24   1HD2  LEU   2          1HD2      LEU   2   8.109 -13.119  -9.836
   25   2HD2  LEU   2          2HD2      LEU   2   6.687 -12.133 -10.175
   26   3HD2  LEU   2          3HD2      LEU   2   7.757 -11.706  -8.841
   27    H    LYS   3           H        LYS   3   6.001  -7.233  -9.217
   28    HA   LYS   3           HA       LYS   3   7.567  -6.544  -6.774
   29   1HB   LYS   3          2HB       LYS   3   7.678  -4.224  -7.454
   30   2HB   LYS   3          1HB       LYS   3   8.286  -5.195  -8.794
   31   1HG   LYS   3          2HG       LYS   3   5.977  -5.136  -9.794
   32   2HG   LYS   3          1HG       LYS   3   5.516  -3.996  -8.529
   33   1HD   LYS   3          2HD       LYS   3   7.170  -2.393  -9.283
   34   2HD   LYS   3          1HD       LYS   3   7.824  -3.552 -10.442
   35   1HE   LYS   3          2HE       LYS   3   6.183  -3.121 -11.965
   36   2HE   LYS   3          1HE       LYS   3   4.919  -3.087 -10.719
   37   1HZ   LYS   3          1HZ       LYS   3   5.660  -0.926 -10.019
   38   2HZ   LYS   3          2HZ       LYS   3   5.352  -0.875 -11.689
   39   3HZ   LYS   3          3HZ       LYS   3   6.951  -0.956 -11.120
   40    H    LEU   4           H        LEU   4   4.691  -7.484  -7.907
   41    HA   LEU   4           HA       LEU   4   3.060  -5.541  -6.329
   42   1HB   LEU   4          2HB       LEU   4   2.514  -7.574  -8.497
   43   2HB   LEU   4          1HB       LEU   4   1.204  -6.830  -7.579
   44    HG   LEU   4           HG       LEU   4   2.944  -4.729  -8.349
   45   1HD1  LEU   4          1HD1      LEU   4   3.552  -5.076 -10.514
   46   2HD1  LEU   4          2HD1      LEU   4   2.064  -5.943 -10.893
   47   3HD1  LEU   4          3HD1      LEU   4   3.396  -6.784 -10.100
   48   1HD2  LEU   4          1HD2      LEU   4   0.677  -4.213  -8.169
   49   2HD2  LEU   4          2HD2      LEU   4   0.174  -5.668  -9.027
   50   3HD2  LEU   4          3HD2      LEU   4   0.862  -4.312  -9.920
   51    H    PHE   5           H        PHE   5   4.513  -7.167  -4.665
   52    HA   PHE   5           HA       PHE   5   2.563  -9.272  -3.799
   53   1HB   PHE   5          2HB       PHE   5   5.379  -9.274  -4.352
   54   2HB   PHE   5          1HB       PHE   5   5.140  -9.628  -2.640
   55    HD1  PHE   5           HD1      PHE   5   4.671 -10.821  -6.064
   56    HD2  PHE   5           HD2      PHE   5   3.716 -11.548  -1.939
   57    HE1  PHE   5           HE1      PHE   5   3.959 -13.127  -6.635
   58    HE2  PHE   5           HE2      PHE   5   3.003 -13.854  -2.511
   59    HZ   PHE   5           HZ       PHE   5   3.125 -14.643  -4.858
   60    H    LYS   6           H        LYS   6   4.325  -6.442  -2.955
   61    HA   LYS   6           HA       LYS   6   3.912  -6.704  -0.052
   62   1HB   LYS   6          2HB       LYS   6   5.318  -4.968  -1.984
   63   2HB   LYS   6          1HB       LYS   6   4.707  -4.125  -0.561
   64   1HG   LYS   6          2HG       LYS   6   6.235  -6.710  -0.293
   65   2HG   LYS   6          1HG       LYS   6   7.076  -5.165  -0.421
   66   1HD   LYS   6          2HD       LYS   6   6.446  -4.501   1.668
   67   2HD   LYS   6          1HD       LYS   6   4.841  -5.218   1.517
   68   1HE   LYS   6          2HE       LYS   6   5.924  -6.549   3.172
   69   2HE   LYS   6          1HE       LYS   6   6.086  -7.504   1.684
   70   1HZ   LYS   6          1HZ       LYS   6   8.215  -7.177   2.904
   71   2HZ   LYS   6          2HZ       LYS   6   8.089  -5.511   2.599
   72   3HZ   LYS   6          3HZ       LYS   6   8.244  -6.603   1.308
   73    H    LYS   7           H        LYS   7   2.040  -5.681  -2.707
   74    HA   LYS   7           HA       LYS   7   0.584  -3.554  -1.314
   75   1HB   LYS   7          2HB       LYS   7   0.453  -4.993  -3.949
   76   2HB   LYS   7          1HB       LYS   7  -0.887  -3.956  -3.452
   77   1HG   LYS   7          2HG       LYS   7   1.100  -2.264  -2.905
   78   2HG   LYS   7          1HG       LYS   7   1.928  -3.219  -4.136
   79   1HD   LYS   7          2HD       LYS   7  -0.852  -2.377  -4.768
   80   2HD   LYS   7          1HD       LYS   7   0.372  -1.104  -4.750
   81   1HE   LYS   7          2HE       LYS   7   0.616  -3.701  -6.313
   82   2HE   LYS   7          1HE       LYS   7   0.164  -2.135  -7.011
   83   1HZ   LYS   7          1HZ       LYS   7   2.729  -3.046  -6.528
   84   2HZ   LYS   7          2HZ       LYS   7   2.443  -1.872  -5.333
   85   3HZ   LYS   7          3HZ       LYS   7   2.275  -1.475  -6.977
   86    H    ILE   8           H        ILE   8   0.483  -6.945  -1.305
   87    HA   ILE   8           HA       ILE   8  -2.324  -7.465  -1.060
   88    HB   ILE   8           HB       ILE   8   0.105  -8.817   0.170
   89   1HG1  ILE   8          2HG1      ILE   8  -1.406  -9.363  -2.407
   90   2HG1  ILE   8          1HG1      ILE   8   0.186  -8.608  -2.299
   91   1HG2  ILE   8          1HG2      ILE   8  -2.609 -10.014  -0.439
   92   2HG2  ILE   8          2HG2      ILE   8  -2.162  -9.410   1.156
   93   3HG2  ILE   8          3HG2      ILE   8  -1.278 -10.760   0.446
   94   1HD1  ILE   8          1HD1      ILE   8   1.197 -10.611  -2.099
   95   2HD1  ILE   8          2HD1      ILE   8  -0.358 -11.362  -2.453
   96   3HD1  ILE   8          3HD1      ILE   8   0.122 -11.077  -0.781
   97    H    GLY   9           H        GLY   9   0.031  -6.073   1.083
   98   1HA   GLY   9          2HA       GLY   9  -1.976  -6.075   3.303
   99   2HA   GLY   9          1HA       GLY   9  -0.230  -6.034   3.567
  100    H    ILE  10           H        ILE  10   0.484  -4.157   1.587
  101    HA   ILE  10           HA       ILE  10  -0.257  -1.664   2.928
  102    HB   ILE  10           HB       ILE  10   1.376  -2.276   0.440
  103   1HG1  ILE  10          2HG1      ILE  10   2.450  -1.593   3.174
  104   2HG1  ILE  10          1HG1      ILE  10   2.041  -3.260   2.763
  105   1HG2  ILE  10          1HG2      ILE  10   0.552   0.094   0.663
  106   2HG2  ILE  10          2HG2      ILE  10   2.310  -0.055   0.714
  107   3HG2  ILE  10          3HG2      ILE  10   1.402   0.189   2.207
  108   1HD1  ILE  10          1HD1      ILE  10   3.994  -1.471   1.289
  109   2HD1  ILE  10          2HD1      ILE  10   3.519  -3.084   0.757
  110   3HD1  ILE  10          3HD1      ILE  10   4.398  -2.878   2.273
  111    H    GLY  11           H        GLY  11  -1.122  -3.359  -0.036
  112   1HA   GLY  11          2HA       GLY  11  -2.450  -1.088  -1.273
  113   2HA   GLY  11          1HA       GLY  11  -2.606  -2.774  -1.774
  114    H    LYS  12           H        LYS  12  -3.602  -3.999   0.459
  115    HA   LYS  12           HA       LYS  12  -6.341  -3.696   0.407
  116   1HB   LYS  12          2HB       LYS  12  -5.350  -5.492   1.616
  117   2HB   LYS  12          1HB       LYS  12  -4.416  -4.395   2.635
  118   1HG   LYS  12          2HG       LYS  12  -6.260  -3.812   3.934
  119   2HG   LYS  12          1HG       LYS  12  -7.413  -4.230   2.666
  120   1HD   LYS  12          2HD       LYS  12  -7.461  -5.896   4.489
  121   2HD   LYS  12          1HD       LYS  12  -6.904  -6.621   2.981
  122   1HE   LYS  12          2HE       LYS  12  -5.330  -7.415   4.560
  123   2HE   LYS  12          1HE       LYS  12  -4.509  -5.999   3.876
  124   1HZ   LYS  12          1HZ       LYS  12  -6.342  -5.743   6.180
  125   2HZ   LYS  12          2HZ       LYS  12  -5.129  -4.669   5.664
  126   3HZ   LYS  12          3HZ       LYS  12  -4.708  -6.137   6.411
  127    H    PHE  13           H        PHE  13  -4.058  -1.800   2.391
  128    HA   PHE  13           HA       PHE  13  -5.865  -0.330   3.982
  129   1HB   PHE  13          2HB       PHE  13  -3.131  -0.315   3.236
  130   2HB   PHE  13          1HB       PHE  13  -3.720   1.320   2.937
  131    HD1  PHE  13           HD1      PHE  13  -4.042  -1.378   5.536
  132    HD2  PHE  13           HD2      PHE  13  -3.666   2.822   4.715
  133    HE1  PHE  13           HE1      PHE  13  -3.970  -0.907   7.970
  134    HE2  PHE  13           HE2      PHE  13  -3.594   3.293   7.149
  135    HZ   PHE  13           HZ       PHE  13  -3.746   1.427   8.777
  136    H    LEU  14           H        LEU  14  -5.084  -0.044   0.573
  137    HA   LEU  14           HA       LEU  14  -6.646   2.469   0.288
  138   1HB   LEU  14          2HB       LEU  14  -4.436   2.065  -0.834
  139   2HB   LEU  14          1HB       LEU  14  -5.181   0.750  -1.743
  140    HG   LEU  14           HG       LEU  14  -6.960   2.774  -2.202
  141   1HD1  LEU  14          1HD1      LEU  14  -5.478   4.380  -1.008
  142   2HD1  LEU  14          2HD1      LEU  14  -5.673   4.797  -2.712
  143   3HD1  LEU  14          3HD1      LEU  14  -4.191   4.016  -2.158
  144   1HD2  LEU  14          1HD2      LEU  14  -4.948   3.015  -4.192
  145   2HD2  LEU  14          2HD2      LEU  14  -6.407   2.026  -4.256
  146   3HD2  LEU  14          3HD2      LEU  14  -4.905   1.344  -3.631
  147    H    HIS  15           H        HIS  15  -6.646  -0.869  -1.021
  148    HA   HIS  15           HA       HIS  15  -8.954  -0.840  -2.573
  149   1HB   HIS  15          2HB       HIS  15  -7.245  -2.687  -1.978
  150   2HB   HIS  15          1HB       HIS  15  -8.298  -3.026  -0.610
  151    HD1  HIS  15           HD1      HIS  15 -11.049  -2.944  -1.661
  152    HD2  HIS  15           HD2      HIS  15  -7.929  -4.445  -3.982
  153    HE1  HIS  15           HE1      HIS  15 -12.111  -4.436  -3.411
  154    H    SER  16           H        SER  16  -8.837  -1.773   0.822
  155    HA   SER  16           HA       SER  16 -11.611  -1.847   1.341
  156   1HB   SER  16          2HB       SER  16 -10.796  -1.400   3.725
  157   2HB   SER  16          1HB       SER  16 -10.004  -2.737   2.896
  158    HG   SER  16           HG       SER  16  -8.883  -0.624   3.956
  159    H    ALA  17           H        ALA  17  -9.525   0.819   0.804
  160    HA   ALA  17           HA       ALA  17 -11.093   2.848   2.181
  161   1HB   ALA  17          1HB       ALA  17  -8.577   2.708   1.353
  162   2HB   ALA  17          2HB       ALA  17  -9.409   4.261   1.403
  163   3HB   ALA  17          3HB       ALA  17  -9.251   3.395  -0.124
  164    H    LYS  18           H        LYS  18 -11.027   1.465  -1.072
  165    HA   LYS  18           HA       LYS  18 -12.836   3.501  -2.164
  166   1HB   LYS  18          2HB       LYS  18 -11.173   1.276  -3.067
  167   2HB   LYS  18          1HB       LYS  18 -12.734   1.311  -3.888
  168   1HG   LYS  18          2HG       LYS  18 -12.166   3.921  -4.030
  169   2HG   LYS  18          1HG       LYS  18 -10.515   3.303  -3.950
  170   1HD   LYS  18          2HD       LYS  18 -12.416   1.955  -5.820
  171   2HD   LYS  18          1HD       LYS  18 -11.792   3.540  -6.281
  172   1HE   LYS  18          2HE       LYS  18  -9.523   2.217  -5.361
  173   2HE   LYS  18          1HE       LYS  18 -10.411   0.960  -6.244
  174   1HZ   LYS  18          1HZ       LYS  18 -10.639   2.407  -8.117
  175   2HZ   LYS  18          2HZ       LYS  18  -8.994   2.359  -7.698
  176   3HZ   LYS  18          3HZ       LYS  18  -9.943   3.705  -7.276
  177    H    LYS  19           H        LYS  19 -13.076   0.451  -0.580
  178    HA   LYS  19           HA       LYS  19 -15.866  -0.022  -1.454
  179   1HB   LYS  19          2HB       LYS  19 -14.404  -1.930  -1.274
  180   2HB   LYS  19          1HB       LYS  19 -13.887  -1.453   0.342
  181   1HG   LYS  19          2HG       LYS  19 -15.651  -2.482   1.297
  182   2HG   LYS  19          1HG       LYS  19 -16.780  -1.692   0.197
  183   1HD   LYS  19          2HD       LYS  19 -16.949  -4.071  -0.176
  184   2HD   LYS  19          1HD       LYS  19 -16.111  -3.373  -1.564
  185   1HE   LYS  19          2HE       LYS  19 -14.032  -4.245  -0.917
  186   2HE   LYS  19          1HE       LYS  19 -14.519  -4.399   0.783
  187   1HZ   LYS  19          1HZ       LYS  19 -14.624  -6.398  -1.047
  188   2HZ   LYS  19          2HZ       LYS  19 -16.226  -5.833  -1.037
  189   3HZ   LYS  19          3HZ       LYS  19 -15.498  -6.357   0.405
  190    H    PHE  20           H        PHE  20 -14.220   1.699   0.980
  191    HA   PHE  20           HA       PHE  20 -16.715   1.815   2.638
  192   1HB   PHE  20          2HB       PHE  20 -15.135   0.556   3.895
  193   2HB   PHE  20          1HB       PHE  20 -13.792   1.574   3.376
  194    HD1  PHE  20           HD1      PHE  20 -16.507   1.157   5.768
  195    HD2  PHE  20           HD2      PHE  20 -13.592   3.917   4.240
  196    HE1  PHE  20           HE1      PHE  20 -16.829   2.599   7.760
  197    HE2  PHE  20           HE2      PHE  20 -13.915   5.360   6.232
  198    HZ   PHE  20           HZ       PHE  20 -15.533   4.700   7.991
  199   1HN   NH2  21          1HN       NH2  21 -13.921   3.498   1.244
  200   2HN   NH2  21          2HN       NH2  21 -14.463   5.064   1.578
  Start of MODEL   20
    1   1H    LYS   1          1H        LYS   1  14.425   5.449   4.024
    2   2H    LYS   1          2H        LYS   1  15.945   5.623   3.286
    3   3H    LYS   1          3H        LYS   1  15.668   4.350   4.375
    4    HA   LYS   1           HA       LYS   1  14.336   4.669   1.731
    5   1HB   LYS   1          2HB       LYS   1  16.871   3.565   2.686
    6   2HB   LYS   1          1HB       LYS   1  15.902   2.363   1.833
    7   1HG   LYS   1          2HG       LYS   1  16.241   3.363  -0.164
    8   2HG   LYS   1          1HG       LYS   1  15.878   4.959   0.491
    9   1HD   LYS   1          2HD       LYS   1  18.144   5.131   1.408
   10   2HD   LYS   1          1HD       LYS   1  18.517   3.505   0.833
   11   1HE   LYS   1          2HE       LYS   1  17.619   5.712  -1.042
   12   2HE   LYS   1          1HE       LYS   1  19.328   5.394  -0.684
   13   1HZ   LYS   1          1HZ       LYS   1  17.338   3.510  -1.824
   14   2HZ   LYS   1          2HZ       LYS   1  18.844   3.010  -1.217
   15   3HZ   LYS   1          3HZ       LYS   1  18.769   4.063  -2.549
   16    H    LEU   2           H        LEU   2  12.245   4.155   2.611
   17    HA   LEU   2           HA       LEU   2  11.779   1.973   4.444
   18   1HB   LEU   2          2HB       LEU   2  10.277   3.899   2.783
   19   2HB   LEU   2          1HB       LEU   2   9.425   2.385   3.093
   20    HG   LEU   2           HG       LEU   2   9.910   2.672   5.533
   21   1HD1  LEU   2          1HD1      LEU   2  11.824   4.060   5.590
   22   2HD1  LEU   2          2HD1      LEU   2  10.521   5.112   6.141
   23   3HD1  LEU   2          3HD1      LEU   2  11.111   5.234   4.484
   24   1HD2  LEU   2          1HD2      LEU   2   8.123   4.185   5.893
   25   2HD2  LEU   2          2HD2      LEU   2   7.812   3.534   4.284
   26   3HD2  LEU   2          3HD2      LEU   2   8.528   5.136   4.463
   27    H    LYS   3           H        LYS   3  13.117   0.293   3.285
   28    HA   LYS   3           HA       LYS   3  11.937  -0.758   0.770
   29   1HB   LYS   3          2HB       LYS   3  14.496  -0.711   2.123
   30   2HB   LYS   3          1HB       LYS   3  14.061  -2.369   1.707
   31   1HG   LYS   3          2HG       LYS   3  13.356  -0.788  -0.528
   32   2HG   LYS   3          1HG       LYS   3  14.960  -0.250  -0.033
   33   1HD   LYS   3          2HD       LYS   3  15.128  -3.008   0.192
   34   2HD   LYS   3          1HD       LYS   3  14.147  -2.781  -1.257
   35   1HE   LYS   3          2HE       LYS   3  16.866  -1.525  -0.725
   36   2HE   LYS   3          1HE       LYS   3  16.504  -2.796  -1.911
   37   1HZ   LYS   3          1HZ       LYS   3  16.310  -0.878  -3.169
   38   2HZ   LYS   3          2HZ       LYS   3  15.633   0.023  -1.897
   39   3HZ   LYS   3          3HZ       LYS   3  14.704  -1.152  -2.699
   40    H    LEU   4           H        LEU   4  10.546  -0.942   3.443
   41    HA   LEU   4           HA       LEU   4   9.875  -3.807   3.287
   42   1HB   LEU   4          2HB       LEU   4  11.908  -2.958   4.974
   43   2HB   LEU   4          1HB       LEU   4  10.503  -3.001   6.041
   44    HG   LEU   4           HG       LEU   4  10.148  -5.335   4.708
   45   1HD1  LEU   4          1HD1      LEU   4  13.008  -5.700   5.187
   46   2HD1  LEU   4          2HD1      LEU   4  12.690  -4.549   3.889
   47   3HD1  LEU   4          3HD1      LEU   4  12.035  -6.184   3.798
   48   1HD2  LEU   4          1HD2      LEU   4  11.736  -4.690   7.195
   49   2HD2  LEU   4          2HD2      LEU   4  11.443  -6.357   6.702
   50   3HD2  LEU   4          3HD2      LEU   4  10.085  -5.298   7.078
   51    H    PHE   5           H        PHE   5   7.832  -2.676   2.678
   52    HA   PHE   5           HA       PHE   5   6.108  -2.271   5.000
   53   1HB   PHE   5          2HB       PHE   5   7.412  -0.067   3.586
   54   2HB   PHE   5          1HB       PHE   5   5.660   0.113   3.660
   55    HD1  PHE   5           HD1      PHE   5   8.670   0.706   5.387
   56    HD2  PHE   5           HD2      PHE   5   4.594  -0.482   6.033
   57    HE1  PHE   5           HE1      PHE   5   8.841   1.411   7.759
   58    HE2  PHE   5           HE2      PHE   5   4.764   0.222   8.405
   59    HZ   PHE   5           HZ       PHE   5   6.888   1.169   9.268
   60    H    LYS   6           H        LYS   6   6.549  -2.043   1.531
   61    HA   LYS   6           HA       LYS   6   3.776  -1.976   0.783
   62   1HB   LYS   6          2HB       LYS   6   6.372  -2.028  -0.404
   63   2HB   LYS   6          1HB       LYS   6   5.411  -3.295  -1.169
   64   1HG   LYS   6          2HG       LYS   6   4.246  -1.762  -2.331
   65   2HG   LYS   6          1HG       LYS   6   3.786  -0.942  -0.839
   66   1HD   LYS   6          2HD       LYS   6   4.986   0.690  -2.082
   67   2HD   LYS   6          1HD       LYS   6   6.136   0.100  -0.881
   68   1HE   LYS   6          2HE       LYS   6   6.527  -1.673  -2.960
   69   2HE   LYS   6          1HE       LYS   6   6.221  -0.147  -3.813
   70   1HZ   LYS   6          1HZ       LYS   6   8.425   0.105  -3.305
   71   2HZ   LYS   6          2HZ       LYS   6   8.324  -0.802  -1.871
   72   3HZ   LYS   6          3HZ       LYS   6   7.734   0.791  -1.917
   73    H    LYS   7           H        LYS   7   6.097  -4.671   1.160
   74    HA   LYS   7           HA       LYS   7   4.102  -6.690   0.441
   75   1HB   LYS   7          2HB       LYS   7   5.941  -8.203   0.816
   76   2HB   LYS   7          1HB       LYS   7   6.614  -6.756   0.063
   77   1HG   LYS   7          2HG       LYS   7   7.348  -5.911   2.220
   78   2HG   LYS   7          1HG       LYS   7   6.555  -7.247   3.053
   79   1HD   LYS   7          2HD       LYS   7   8.553  -8.304   2.905
   80   2HD   LYS   7          1HD       LYS   7   8.142  -8.553   1.208
   81   1HE   LYS   7          2HE       LYS   7   9.158  -5.907   1.399
   82   2HE   LYS   7          1HE       LYS   7  10.274  -6.954   2.299
   83   1HZ   LYS   7          1HZ       LYS   7   9.818  -8.538   0.280
   84   2HZ   LYS   7          2HZ       LYS   7  11.004  -7.326   0.178
   85   3HZ   LYS   7          3HZ       LYS   7   9.474  -7.083  -0.521
   86    H    ILE   8           H        ILE   8   4.331  -4.803   3.119
   87    HA   ILE   8           HA       ILE   8   3.962  -6.883   5.175
   88    HB   ILE   8           HB       ILE   8   3.813  -3.853   5.169
   89   1HG1  ILE   8          2HG1      ILE   8   5.969  -5.869   5.824
   90   2HG1  ILE   8          1HG1      ILE   8   6.044  -4.535   4.676
   91   1HG2  ILE   8          1HG2      ILE   8   4.342  -5.310   7.684
   92   2HG2  ILE   8          2HG2      ILE   8   2.708  -5.509   7.051
   93   3HG2  ILE   8          3HG2      ILE   8   3.329  -3.895   7.395
   94   1HD1  ILE   8          1HD1      ILE   8   6.474  -4.527   7.592
   95   2HD1  ILE   8          2HD1      ILE   8   5.445  -3.219   7.008
   96   3HD1  ILE   8          3HD1      ILE   8   7.073  -3.413   6.362
   97    H    GLY   9           H        GLY   9   1.989  -4.566   3.354
   98   1HA   GLY   9          2HA       GLY   9  -0.376  -5.598   3.011
   99   2HA   GLY   9          1HA       GLY   9  -0.433  -5.577   4.775
  100    H    ILE  10           H        ILE  10   0.723  -3.190   2.369
  101    HA   ILE  10           HA       ILE  10  -0.894  -1.125   3.809
  102    HB   ILE  10           HB       ILE  10   1.492  -0.993   1.937
  103   1HG1  ILE  10          2HG1      ILE  10   1.133  -0.561   4.917
  104   2HG1  ILE  10          1HG1      ILE  10   2.107  -1.804   4.132
  105   1HG2  ILE  10          1HG2      ILE  10   0.297   1.295   3.506
  106   2HG2  ILE  10          2HG2      ILE  10  -0.189   0.954   1.846
  107   3HG2  ILE  10          3HG2      ILE  10   1.487   1.368   2.208
  108   1HD1  ILE  10          1HD1      ILE  10   2.776   0.982   4.712
  109   2HD1  ILE  10          2HD1      ILE  10   3.068   0.556   3.026
  110   3HD1  ILE  10          3HD1      ILE  10   3.841  -0.366   4.315
  111    H    GLY  11           H        GLY  11  -0.276  -2.554   0.627
  112   1HA   GLY  11          2HA       GLY  11  -1.827  -0.698  -0.908
  113   2HA   GLY  11          1HA       GLY  11  -1.438  -2.346  -1.401
  114    H    LYS  12           H        LYS  12  -2.687  -3.527   1.004
  115    HA   LYS  12           HA       LYS  12  -5.311  -3.996   0.007
  116   1HB   LYS  12          2HB       LYS  12  -5.626  -5.001   2.285
  117   2HB   LYS  12          1HB       LYS  12  -4.118  -5.498   1.517
  118   1HG   LYS  12          2HG       LYS  12  -3.084  -4.796   3.400
  119   2HG   LYS  12          1HG       LYS  12  -3.425  -3.157   2.844
  120   1HD   LYS  12          2HD       LYS  12  -4.722  -2.869   4.659
  121   2HD   LYS  12          1HD       LYS  12  -5.820  -4.088   4.012
  122   1HE   LYS  12          2HE       LYS  12  -3.404  -5.197   5.310
  123   2HE   LYS  12          1HE       LYS  12  -4.519  -4.354   6.403
  124   1HZ   LYS  12          1HZ       LYS  12  -5.342  -6.381   4.392
  125   2HZ   LYS  12          2HZ       LYS  12  -6.344  -5.624   5.536
  126   3HZ   LYS  12          3HZ       LYS  12  -5.135  -6.704   6.044
  127    H    PHE  13           H        PHE  13  -4.063  -1.523   2.188
  128    HA   PHE  13           HA       PHE  13  -6.492  -0.653   3.386
  129   1HB   PHE  13          2HB       PHE  13  -3.753   0.260   2.959
  130   2HB   PHE  13          1HB       PHE  13  -4.895   1.604   2.954
  131    HD1  PHE  13           HD1      PHE  13  -6.993   0.541   4.788
  132    HD2  PHE  13           HD2      PHE  13  -2.709   0.444   5.080
  133    HE1  PHE  13           HE1      PHE  13  -7.164   0.403   7.258
  134    HE2  PHE  13           HE2      PHE  13  -2.880   0.307   7.550
  135    HZ   PHE  13           HZ       PHE  13  -5.108   0.287   8.639
  136    H    LEU  14           H        LEU  14  -5.098  -0.020   0.201
  137    HA   LEU  14           HA       LEU  14  -6.820   2.159  -0.545
  138   1HB   LEU  14          2HB       LEU  14  -4.645   1.407  -1.596
  139   2HB   LEU  14          1HB       LEU  14  -5.525   0.047  -2.296
  140    HG   LEU  14           HG       LEU  14  -7.077   1.661  -3.394
  141   1HD1  LEU  14          1HD1      LEU  14  -5.589   4.032  -3.349
  142   2HD1  LEU  14          2HD1      LEU  14  -5.612   3.495  -1.670
  143   3HD1  LEU  14          3HD1      LEU  14  -7.128   3.748  -2.535
  144   1HD2  LEU  14          1HD2      LEU  14  -4.973   0.771  -4.497
  145   2HD2  LEU  14          2HD2      LEU  14  -4.176   2.275  -4.031
  146   3HD2  LEU  14          3HD2      LEU  14  -5.546   2.308  -5.142
  147    H    HIS  15           H        HIS  15  -7.318  -1.274  -0.311
  148    HA   HIS  15           HA       HIS  15  -9.574  -1.391  -2.157
  149   1HB   HIS  15          2HB       HIS  15  -7.875  -3.209  -1.327
  150   2HB   HIS  15          1HB       HIS  15  -8.993  -3.362   0.030
  151    HD1  HIS  15           HD1      HIS  15 -11.588  -3.810  -0.699
  152    HD2  HIS  15           HD2      HIS  15  -8.689  -4.591  -3.591
  153    HE1  HIS  15           HE1      HIS  15 -12.698  -5.262  -2.452
  154    H    SER  16           H        SER  16  -9.333  -1.875   1.332
  155    HA   SER  16           HA       SER  16 -12.133  -1.684   1.870
  156   1HB   SER  16          2HB       SER  16 -10.773  -2.706   3.501
  157   2HB   SER  16          1HB       SER  16  -9.579  -1.413   3.441
  158    HG   SER  16           HG       SER  16 -10.928  -1.316   5.308
  159    H    ALA  17           H        ALA  17  -9.895   0.709   0.998
  160    HA   ALA  17           HA       ALA  17 -11.282   2.920   2.392
  161   1HB   ALA  17          1HB       ALA  17  -8.767   2.676   2.039
  162   2HB   ALA  17          2HB       ALA  17  -9.446   4.227   1.547
  163   3HB   ALA  17          3HB       ALA  17  -9.060   3.007   0.333
  164    H    LYS  18           H        LYS  18 -10.790   1.706  -0.927
  165    HA   LYS  18           HA       LYS  18 -12.421   3.816  -2.128
  166   1HB   LYS  18          2HB       LYS  18 -10.938   1.357  -2.965
  167   2HB   LYS  18          1HB       LYS  18 -12.170   1.984  -4.060
  168   1HG   LYS  18          2HG       LYS  18  -9.989   3.719  -2.881
  169   2HG   LYS  18          1HG       LYS  18  -9.825   2.894  -4.432
  170   1HD   LYS  18          2HD       LYS  18 -12.005   4.011  -5.121
  171   2HD   LYS  18          1HD       LYS  18 -11.852   5.005  -3.673
  172   1HE   LYS  18          2HE       LYS  18  -9.400   4.863  -5.325
  173   2HE   LYS  18          1HE       LYS  18 -10.770   5.701  -6.081
  174   1HZ   LYS  18          1HZ       LYS  18  -9.497   7.208  -4.667
  175   2HZ   LYS  18          2HZ       LYS  18  -9.750   6.190  -3.330
  176   3HZ   LYS  18          3HZ       LYS  18 -11.065   6.985  -4.058
  177    H    LYS  19           H        LYS  19 -13.105   0.983  -0.430
  178    HA   LYS  19           HA       LYS  19 -15.858   0.863  -1.618
  179   1HB   LYS  19          2HB       LYS  19 -14.215  -1.021  -2.176
  180   2HB   LYS  19          1HB       LYS  19 -14.285  -1.456  -0.469
  181   1HG   LYS  19          2HG       LYS  19 -16.938  -1.243  -1.026
  182   2HG   LYS  19          1HG       LYS  19 -16.326  -1.794  -2.586
  183   1HD   LYS  19          2HD       LYS  19 -16.648  -3.833  -1.534
  184   2HD   LYS  19          1HD       LYS  19 -14.977  -3.506  -1.075
  185   1HE   LYS  19          2HE       LYS  19 -15.814  -2.466   1.054
  186   2HE   LYS  19          1HE       LYS  19 -17.451  -2.984   0.607
  187   1HZ   LYS  19          1HZ       LYS  19 -15.091  -4.780   0.801
  188   2HZ   LYS  19          2HZ       LYS  19 -16.683  -5.249   0.438
  189   3HZ   LYS  19          3HZ       LYS  19 -16.302  -4.647   1.980
  190    H    PHE  20           H        PHE  20 -14.090   1.663   1.065
  191    HA   PHE  20           HA       PHE  20 -16.436   1.494   2.831
  192   1HB   PHE  20          2HB       PHE  20 -14.666  -0.648   2.700
  193   2HB   PHE  20          1HB       PHE  20 -14.099   0.262   4.101
  194    HD1  PHE  20           HD1      PHE  20 -16.615   1.455   5.097
  195    HD2  PHE  20           HD2      PHE  20 -15.811  -2.498   3.623
  196    HE1  PHE  20           HE1      PHE  20 -18.498   0.570   6.445
  197    HE2  PHE  20           HE2      PHE  20 -17.694  -3.383   4.971
  198    HZ   PHE  20           HZ       PHE  20 -19.039  -1.850   6.383
  199   1HN   NH2  21          1HN       NH2  21 -14.253   3.443   1.689
  200   2HN   NH2  21          2HN       NH2  21 -13.717   4.282   3.063