*HEADER    ANTIBIOTIC                              01-MAY-04   1T51              
*TITLE     ANTIBIOTIC ACTIVITY AND STRUCTURAL ANALYSIS OF A SCORPION-            
*TITLE    2 DERIVED ANTIMICROBIAL PEPTIDE ISCT AND ITS ANALOGS                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYTOTOXIC LINEAR PEPTIDE ISCT;                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: ISCT;                                                       
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: OPISTHACANTHUS MADAGASCARIENSIS;                
*SOURCE   3 ORGANISM_COMMON: SCORPION;                                           
*SOURCE   4 TISSUE: VENOM;                                                       
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA                                   
*KEYWDS    COIL-HELIX                                                            
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    K.LEE, S.Y.SHIN, K.KIM, S.S.LIM, K.S.HAHM, Y.KIM                      
*REVDAT   1   19-OCT-04 1T51    0                                                

set message=off echo=off end
! S:1.8-2.7(2.5) ; M:1.8-3.5(3.0) ; W:1.8-5.0(4.0)
! add pseudoatom correction(m=1.0,r=1.5,+=0.5,q=2.4)

!H-bond
!assign (resid    6 and  name N    )(resid    2 and  name O    ) 3.3 0.8 0.2
!assign (resid    8 and  name N    )(resid    4 and  name O    ) 3.3 0.8 0.2
assign (resid    9 and  name N    )(resid    5 and  name O    ) 3.3 0.8 0.2
assign (resid   10 and  name N    )(resid    6 and  name O    ) 3.3 0.8 0.2
assign (resid   11 and  name N    )(resid    7 and  name O    ) 3.3 0.8 0.2
assign (resid   12 and  name N    )(resid    8 and  name O    ) 3.3 0.8 0.2
assign (resid   13 and  name N    )(resid    9 and  name O    ) 3.3 0.8 0.2

! NH-NH NOEs
! i-i+1
assign (resid    2 and  name HN   )(resid    3 and  name HN   ) 3.0 1.2 0.5 !M
assign (resid    3 and  name HN   )(resid    4 and  name HN   ) 3.0 1.2 0.5 !M
assign (resid    4 and  name HN   )(resid    5 and  name HN   ) 2.5 0.7 0.2 !S
assign (resid    5 and  name HN   )(resid    6 and  name HN   ) 2.5 0.7 0.2 !S
assign (resid    6 and  name HN   )(resid    7 and  name HN   ) 3.0 1.2 0.5 !M
assign (resid    7 and  name HN   )(resid    8 and  name HN   ) 3.0 1.2 0.5 !M
assign (resid    8 and  name HN   )(resid    9 and  name HN   ) 3.0 1.2 0.5 !M
assign (resid    9 and  name HN   )(resid   10 and  name HN   ) 3.0 1.2 0.5 !M
assign (resid   10 and  name HN   )(resid   11 and  name HN   ) 2.5 0.7 0.5 !S+
assign (resid   11 and  name HN   )(resid   12 and  name HN   ) 2.5 0.7 0.2 !S
assign (resid   12 and  name HN   )(resid   13 and  name HN   ) 2.5 0.7 0.2 !S

! i-i+2
assign (resid    3 and  name HN   )(resid    5 and  name HN   ) 4.0 2.2 2.0 !W
assign (resid    4 and  name HN   )(resid    6 and  name HN   ) 4.0 2.2 2.0 !W
assign (resid    5 and  name HN   )(resid    7 and  name HN   ) 4.0 2.2 2.0 !W
assign (resid    6 and  name HN   )(resid    8 and  name HN   ) 4.0 2.2 2.0 !W
assign (resid    7 and  name HN   )(resid    9 and  name HN   ) 4.0 2.2 2.0 !W
assign (resid    9 and  name HN   )(resid   11 and  name HN   ) 4.0 2.2 2.0 !W
assign (resid   10 and  name HN   )(resid   12 and  name HN   ) 4.0 2.2 2.0 !W

! i-i+3
assign (resid    3 and  name HN   )(resid    6 and  name HN   ) 4.0 2.2 2.0 !W


! CaH-NH NOEs
! i-i+1
assign (resid    3 and  name HN   )(resid    2 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid    4 and  name HN   )(resid    3 and  name HA1  ) 3.0 1.2 0.5 !M
assign (resid    4 and  name HN   )(resid    3 and  name HA2  ) 2.5 0.7 0.2 !S
assign (resid    5 and  name HN   )(resid    4 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid    6 and  name HN   )(resid    5 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid    7 and  name HN   )(resid    6 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid    8 and  name HN   )(resid    7 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid    9 and  name HN   )(resid    8 and  name HA1  ) 3.0 1.2 0.5 !M
assign (resid    9 and  name HN   )(resid    8 and  name HA2  ) 3.0 1.2 0.5 !M
assign (resid   10 and  name HN   )(resid    9 and  name HA   ) 3.0 1.2 1.0 !M+
assign (resid   11 and  name HN   )(resid   10 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid   12 and  name HN   )(resid   11 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid   13 and  name HN   )(resid   12 and  name HA   ) 3.0 1.2 0.5 !M

! i-i+2
assign (resid   13 and  name HN   )(resid   11 and  name HN   ) 4.0 2.2 2.0 !W

! i-i+3
assign (resid    6 and  name HN   )(resid    3 and  name HA1  ) 3.0 1.2 0.5 !M
assign (resid    6 and  name HN   )(resid    3 and  name HA2  ) 3.0 1.2 0.5 !M
assign (resid    7 and  name HN   )(resid    4 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid    8 and  name HN   )(resid    5 and  name HA   ) 4.0 2.2 2.0 !W
assign (resid    9 and  name HN   )(resid    6 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid   11 and  name HN   )(resid    8 and  name HA1  ) 4.0 2.2 2.0 !W
assign (resid   11 and  name HN   )(resid    8 and  name HA2  ) 4.0 2.2 2.0 !W
assign (resid   12 and  name HN   )(resid    9 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid   13 and  name HN   )(resid   10 and  name HA   ) 4.0 2.2 2.0 !W

! i-i+4
!assign (resid    6 and  name HN   )(resid    2 and  name HA   ) 4.0 2.2 2.0 !W
assign (resid    7 and  name HN   )(resid    3 and  name HA1  ) 4.0 2.2 2.0 !W
assign (resid    7 and  name HN   )(resid    3 and  name HA2  ) 4.0 2.2 2.0 !W
!assign (resid    8 and  name HN   )(resid    4 and  name HA   ) 4.0 2.2 2.0 !W
assign (resid   10 and  name HN   )(resid    6 and  name HA   ) 3.0 1.2 1.0 !M+
assign (resid   13 and  name HN   )(resid    9 and  name HA   ) 4.0 2.2 2.0 !W

! NH-Cb/Cg/CdH(sequential)
assign (resid    3 and  name HN   )(resid    2 and  name HB1  ) 3.0 1.2 0.5 !M
assign (resid    4 and  name HN   )(resid    5 and  name HB   ) 3.0 1.2 1.5 !M++
assign (resid    5 and  name HN   )(resid    4 and  name HB1  ) 3.0 1.2 0.5 !M
assign (resid    5 and  name HN   )(resid    4 and  name HB2  ) 3.0 1.2 0.5 !M
assign (resid    6 and  name HN   )(resid    5 and  name HB   ) 3.0 1.2 0.5 !M
assign (resid    6 and  name HN   )(resid    5 and  name HG21 ) 4.0 2.2 2.0 !W
assign (resid    7 and  name HN   )(resid    6 and  name HB1  ) 3.0 1.2 0.5 !M
assign (resid    7 and  name HN   )(resid    6 and  name HD1  ) 4.0 2.2 1.0 !W
assign (resid    8 and  name HN   )(resid    7 and  name HB1  ) 3.0 1.2 0.5 !M
assign (resid    8 and  name HN   )(resid    7 and  name HB2  ) 3.0 1.2 0.5 !M
assign (resid   10 and  name HN   )(resid    9 and  name HB   ) 3.0 1.2 0.5 !M
assign (resid   11 and  name HN   )(resid   10 and  name HB1  ) 4.0 2.2 1.0 !W
assign (resid   11 and  name HN   )(resid   10 and  name HB2  ) 4.0 2.2 1.0 !W
assign (resid   11 and  name HN   )(resid   12 and  name HB2  ) 4.0 2.2 1.0 !W
!assign (resid   11 and  name HN   )(resid   12 and  name HD21 ) 4.0 2.2 1.0 !W
!assign (resid   11 and  name HN   )(resid   12 and  name HG   ) 4.0 2.2 1.0 !W
assign (resid   12 and  name HN   )(resid   11 and  name HB1  ) 3.0 1.2 0.5 !M
assign (resid   13 and  name HN   )(resid   12 and  name HB1  ) 3.0 1.2 0.5 !M
assign (resid   13 and  name HN   )(resid   12 and  name HG   ) 4.0 2.2 1.0 !W
assign (resid    8 and  name HN   )(resid    7 and  name HG2  ) 4.0 2.2 1.0 !W
assign (resid   10 and  name HN   )(resid    9 and  name HD13 ) 4.0 2.2 1.0 !W
assign (resid    6 and  name HN   )(resid    5 and  name HG12 ) 4.0 2.2 1.0 !W
assign (resid    6 and  name HN   )(resid    5 and  name HG21 ) 4.0 2.2 1.0 !W
assign (resid    6 and  name HN   )(resid    5 and  name HG23 ) 4.0 2.2 1.0 !W
assign (resid   13 and  name HN   )(resid   12 and  name HG   ) 4.0 2.2 1.0 !W

! NH-Cb/Cg/CdH(i-i+2)
assign (resid   11 and  name HN   )(resid    9 and  name HB   ) 4.0 2.2 1.0 !W

! NH-Cb/Cg/CdH(i-i+3)
!assign (resid    3 and  name HN   )(resid    6 and  name HZ1  ) 4.0 2.2 1.0 !W
!assign (resid    6 and  name HN   )(resid    9 and  name HB   ) 4.0 2.2 1.0 !W

! NH-Cb/Cg/CdH(i-i+3)
!assign (resid   10 and  name HN   )(resid    6 and  name HZ1   ) 4.0 2.2 1.0 !W

! CaH-CbH NOEs
assign (resid    3 and  name HA2   )(resid   6 and  name HB1  ) 3.0 1.2 0.5 !M
assign (resid    9 and  name HA    )(resid  12 and  name HD11 ) 4.0 2.2 1.0 !W
assign (resid    6 and  name HB2   )(resid   9 and  name HD11 ) 4.0 2.2 1.0 !W
assign (resid    4 and  name HA    )(resid   1 and  name HG11 ) 4.0 2.2 1.0 !W
assign (resid    7 and  name HA    )(resid  10 and  name HB1  ) 4.0 2.2 1.0 !W
assign (resid    9 and  name HA    )(resid  12 and  name HB2  ) 4.0 2.2 1.0 !W
assign (resid    6 and  name HB2   )(resid   9 and  name HG11 ) 4.0 2.2 1.0 !W
assign (resid    6 and  name HB2   )(resid   9 and  name HB   ) 4.0 2.2 1.0 !W
assign (resid    6 and  name HB2   )(resid   5 and  name HB   ) 4.0 2.2 1.0 !W


! Other inter-residual NOEs (sequential)
assign (resid    6 and  name HE1   )(resid   7 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid    6 and  name HE3   )(resid   9 and  name HB   ) 3.0 1.2 0.5 !M
assign (resid    6 and  name HE3   )(resid   9 and  name HD11 ) 4.0 2.2 1.0 !W
!assign (resid    6 and  name HH2   )(resid  11 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid    6 and  name HD1   )(resid   3 and  name HA2  ) 4.0 2.2 1.0 !W
!assign (resid    6 and  name HD1   )(resid   8 and  name HA1  ) 4.0 2.2 1.0 !W
!assign (resid    6 and  name HD1   )(resid   9 and  name HB   ) 4.0 2.2 1.0 !W
!assign (resid    6 and  name HD1   )(resid   9 and  name HG11 ) 4.0 2.2 1.0 !W
!assign (resid    9 and  name HA    )(resid  13 and  name HE1  ) 4.0 2.2 1.0 !W
!assign (resid   10 and  name HA    )(resid  13 and  name HE1  ) 4.0 2.2 1.0 !W
!assign (resid   10 and  name HA    )(resid  13 and  name HZ   ) 4.0 2.2 1.0 !W
!assign (resid   13 and  name HZ    )(resid  11 and  name HA   ) 3.0 1.2 1.0 !M+



! Intra-residual NOEs
assign (resid    4 and  name HN    )(resid   4 and  name HB1  ) 3.0 1.2 0.5 !M
assign (resid    4 and  name HN    )(resid   4 and  name HB2  ) 3.0 1.2 0.5 !M
assign (resid    4 and  name HN    )(resid   4 and  name HG1  ) 4.0 2.2 1.0 !W
assign (resid    4 and  name HN    )(resid   4 and  name HD2  ) 4.0 2.2 1.0 !W
assign (resid    5 and  name HN    )(resid   5 and  name HB   ) 3.0 1.2 0.5 !M
assign (resid    5 and  name HN    )(resid   5 and  name HG12 ) 2.5 0.7 0.2 !S
assign (resid    5 and  name HN    )(resid   5 and  name HG11 ) 3.0 1.2 0.5 !M
assign (resid    5 and  name HN    )(resid   5 and  name HG21 ) 4.0 2.2 1.0 !W
assign (resid    6 and  name HA    )(resid   6 and  name HZ3  ) 4.0 2.2 1.0 !W
!assign (resid    6 and  name HA    )(resid   6 and  name HH2  ) 4.0 2.2 1.0 !W
assign (resid    6 and  name HA    )(resid   6 and  name HD1  ) 4.0 2.2 1.0 !W
!assign (resid    6 and  name HB    )(resid   6 and  name HZ2  ) 3.0 1.2 0.5 !M
assign (resid    7 and  name HN    )(resid   7 and  name HB1  ) 3.0 1.2 0.5 !M
assign (resid    7 and  name HN    )(resid   7 and  name HB2  ) 2.5 0.7 0.2 !S
assign (resid    9 and  name HN    )(resid   9 and  name HB   ) 2.5 0.7 0.2 !S
assign (resid    9 and  name HN    )(resid   9 and  name HG23 ) 4.0 2.2 1.0 !W
assign (resid    9 and  name HN    )(resid   9 and  name HG11 ) 3.0 1.2 0.5 !M
assign (resid   10 and  name HN    )(resid  10 and  name HB1  ) 2.5 0.7 0.2 !S
assign (resid   10 and  name HN    )(resid  10 and  name HG1  ) 3.0 1.2 0.5 !M
assign (resid   10 and  name HN    )(resid  10 and  name HD2  ) 4.0 2.2 1.0 !W
assign (resid   12 and  name HN    )(resid  12 and  name HG   ) 4.0 2.2 1.0 !W
assign (resid   12 and  name HN    )(resid  12 and  name HD11 ) 4.0 2.2 1.0 !W
assign (resid   12 and  name HN    )(resid  12 and  name HD12 ) 4.0 2.2 1.0 !W
!assign (resid   13 and  name HN    )(resid  13 and  name HZ   ) 3.0 1.2 1.0 !M+
assign (resid   13 and  name HN    )(resid  13 and  name HD1  ) 4.0 2.2 1.0 !W
!assign (resid   13 and  name HN    )(resid  13 and  name HE2  ) 3.0 1.2 1.0 !M+
assign (resid   13 and  name HA    )(resid  13 and  name HE1  ) 3.0 1.2 1.0 !M+
!assign (resid   13 and  name HA    )(resid  13 and  name HZ   ) 3.0 1.2 1.0 !M+
!assign (resid   13 and  name HA    )(resid  13 and  name HE1  ) 4.0 2.2 1.0 !W
assign (resid   13 and  name HA    )(resid  13 and  name HD1  ) 4.0 2.2 1.0 !W
!assign (resid   13 and  name HB1   )(resid  13 and  name HE1  ) 4.0 2.2 1.0 !W
assign (resid   13 and  name HB2   )(resid  13 and  name HE1  ) 4.0 2.2 1.0 !W
!assign (resid   13 and  name HB2   )(resid  13 and  name HZ   ) 4.0 2.2 1.0 !W


set message=on echo=on end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ILE   1          1H        ILE   1 -10.907  -4.668   1.919
    2   2H    ILE   1          2H        ILE   1 -10.802  -4.822   0.230
    3   3H    ILE   1          3H        ILE   1 -11.406  -3.392   0.919
    4    HA   ILE   1           HA       ILE   1  -8.617  -4.339   0.763
    5    HB   ILE   1           HB       ILE   1 -10.007  -1.662   0.419
    6   1HG1  ILE   1          2HG1      ILE   1 -10.926  -3.176  -1.212
    7   2HG1  ILE   1          1HG1      ILE   1  -9.713  -2.205  -2.046
    8   1HG2  ILE   1          1HG2      ILE   1  -7.861  -0.944   0.392
    9   2HG2  ILE   1          2HG2      ILE   1  -7.732  -1.760  -1.166
   10   3HG2  ILE   1          3HG2      ILE   1  -7.230  -2.588   0.308
   11   1HD1  ILE   1          1HD1      ILE   1  -9.697  -5.096  -1.394
   12   2HD1  ILE   1          2HD1      ILE   1  -8.164  -4.254  -1.161
   13   3HD1  ILE   1          3HD1      ILE   1  -8.946  -4.240  -2.742
   14    H    LEU   2           H        LEU   2  -7.710  -4.536   2.792
   15    HA   LEU   2           HA       LEU   2  -8.653  -2.922   5.060
   16   1HB   LEU   2          2HB       LEU   2  -7.529  -5.408   4.694
   17   2HB   LEU   2          1HB       LEU   2  -6.154  -4.473   5.283
   18    HG   LEU   2           HG       LEU   2  -8.869  -4.627   6.627
   19   1HD1  LEU   2          1HD1      LEU   2  -6.743  -6.471   6.637
   20   2HD1  LEU   2          2HD1      LEU   2  -8.100  -6.417   7.761
   21   3HD1  LEU   2          3HD1      LEU   2  -6.597  -5.583   8.154
   22   1HD2  LEU   2          1HD2      LEU   2  -7.467  -3.545   8.509
   23   2HD2  LEU   2          2HD2      LEU   2  -7.928  -2.512   7.155
   24   3HD2  LEU   2          3HD2      LEU   2  -6.295  -3.170   7.246
   25    H    GLY   3           H        GLY   3  -6.537  -2.372   2.506
   26   1HA   GLY   3          2HA       GLY   3  -5.486   0.044   3.698
   27   2HA   GLY   3          1HA       GLY   3  -4.244  -1.204   3.593
   28    H    LYS   4           H        LYS   4  -6.472   0.763   1.687
   29    HA   LYS   4           HA       LYS   4  -5.568  -0.160  -0.898
   30   1HB   LYS   4          2HB       LYS   4  -7.659   1.252  -0.005
   31   2HB   LYS   4          1HB       LYS   4  -6.614   2.605  -0.441
   32   1HG   LYS   4          2HG       LYS   4  -7.604   0.382  -2.239
   33   2HG   LYS   4          1HG       LYS   4  -7.916   2.112  -2.390
   34   1HD   LYS   4          2HD       LYS   4  -5.288   2.275  -2.518
   35   2HD   LYS   4          1HD       LYS   4  -5.408   0.582  -3.001
   36   1HE   LYS   4          2HE       LYS   4  -5.687   1.479  -5.099
   37   2HE   LYS   4          1HE       LYS   4  -7.362   1.711  -4.562
   38   1HZ   LYS   4          1HZ       LYS   4  -5.166   3.652  -4.682
   39   2HZ   LYS   4          2HZ       LYS   4  -6.314   3.817  -3.441
   40   3HZ   LYS   4          3HZ       LYS   4  -6.805   3.857  -5.067
   41    H    ILE   5           H        ILE   5  -4.842   2.772   0.998
   42    HA   ILE   5           HA       ILE   5  -2.797   3.750  -0.781
   43    HB   ILE   5           HB       ILE   5  -3.576   4.196   2.107
   44   1HG1  ILE   5          2HG1      ILE   5  -5.000   5.001   0.149
   45   2HG1  ILE   5          1HG1      ILE   5  -4.485   6.255   1.276
   46   1HG2  ILE   5          1HG2      ILE   5  -1.142   4.579   1.894
   47   2HG2  ILE   5          2HG2      ILE   5  -2.007   6.098   2.132
   48   3HG2  ILE   5          3HG2      ILE   5  -1.434   5.652   0.524
   49   1HD1  ILE   5          1HD1      ILE   5  -2.941   7.154  -0.213
   50   2HD1  ILE   5          2HD1      ILE   5  -4.195   6.611  -1.327
   51   3HD1  ILE   5          3HD1      ILE   5  -2.746   5.635  -1.087
   52    H    TRP   6           H        TRP   6  -2.859   1.340   1.736
   53    HA   TRP   6           HA       TRP   6   0.001   1.319   2.275
   54   1HB   TRP   6          2HB       TRP   6  -1.467   0.500   3.956
   55   2HB   TRP   6          1HB       TRP   6  -2.360  -0.492   2.803
   56    HD1  TRP   6           HD1      TRP   6  -1.626  -2.923   2.557
   57    HE1  TRP   6           HE1      TRP   6   0.381  -4.323   3.369
   58    HE3  TRP   6           HE3      TRP   6   1.281   0.775   4.545
   59    HZ2  TRP   6           HZ2      TRP   6   2.888  -3.926   4.688
   60    HZ3  TRP   6           HZ3      TRP   6   3.472   0.236   5.571
   61    HH2  TRP   6           HH2      TRP   6   4.278  -2.108   5.645
   62    H    GLU   7           H        GLU   7  -2.153  -0.283  -0.010
   63    HA   GLU   7           HA       GLU   7  -0.570  -2.451  -0.859
   64   1HB   GLU   7          2HB       GLU   7  -2.926  -1.233  -1.568
   65   2HB   GLU   7          1HB       GLU   7  -1.916  -0.895  -2.975
   66   1HG   GLU   7          2HG       GLU   7  -1.662  -3.652  -1.993
   67   2HG   GLU   7          1HG       GLU   7  -3.289  -3.250  -2.543
   68    H    GLY   8           H        GLY   8  -0.384   0.968  -1.789
   69   1HA   GLY   8          2HA       GLY   8   1.752   0.503  -3.722
   70   2HA   GLY   8          1HA       GLY   8   1.170   2.079  -3.187
   71    H    ILE   9           H        ILE   9   1.517   1.504  -0.348
   72    HA   ILE   9           HA       ILE   9   4.195   2.410   0.031
   73    HB   ILE   9           HB       ILE   9   2.178   1.052   1.844
   74   1HG1  ILE   9          2HG1      ILE   9   2.924   3.937   1.286
   75   2HG1  ILE   9          1HG1      ILE   9   1.370   3.159   0.986
   76   1HG2  ILE   9          1HG2      ILE   9   3.496   1.696   3.715
   77   2HG2  ILE   9          2HG2      ILE   9   4.541   2.716   2.726
   78   3HG2  ILE   9          3HG2      ILE   9   4.639   0.961   2.591
   79   1HD1  ILE   9          1HD1      ILE   9   1.107   4.399   3.016
   80   2HD1  ILE   9          2HD1      ILE   9   2.635   3.797   3.660
   81   3HD1  ILE   9          3HD1      ILE   9   1.257   2.708   3.493
   82    H    LYS  10           H        LYS  10   2.796  -0.818   0.752
   83    HA   LYS  10           HA       LYS  10   5.227  -2.117   1.426
   84   1HB   LYS  10          2HB       LYS  10   3.923  -4.142   1.044
   85   2HB   LYS  10          1HB       LYS  10   2.866  -2.920   1.751
   86   1HG   LYS  10          2HG       LYS  10   1.491  -3.163  -0.012
   87   2HG   LYS  10          1HG       LYS  10   2.765  -2.510  -1.042
   88   1HD   LYS  10          2HD       LYS  10   3.059  -4.521  -2.002
   89   2HD   LYS  10          1HD       LYS  10   3.380  -5.248  -0.427
   90   1HE   LYS  10          2HE       LYS  10   0.528  -4.645  -1.127
   91   2HE   LYS  10          1HE       LYS  10   1.298  -6.057  -1.878
   92   1HZ   LYS  10          1HZ       LYS  10   0.444  -6.781   0.196
   93   2HZ   LYS  10          2HZ       LYS  10   1.084  -5.438   1.018
   94   3HZ   LYS  10          3HZ       LYS  10   2.121  -6.634   0.400
   95    H    SER  11           H        SER  11   3.947  -1.156  -1.674
   96    HA   SER  11           HA       SER  11   5.593  -2.987  -3.255
   97   1HB   SER  11          2HB       SER  11   3.399  -2.069  -3.973
   98   2HB   SER  11          1HB       SER  11   4.085  -0.447  -3.959
   99    HG   SER  11           HG       SER  11   4.084  -1.503  -6.044
  100    H    LEU  12           H        LEU  12   5.890   0.286  -1.989
  101    HA   LEU  12           HA       LEU  12   8.122   1.088  -3.654
  102   1HB   LEU  12          2HB       LEU  12   6.377   2.389  -2.140
  103   2HB   LEU  12          1HB       LEU  12   7.608   2.159  -0.898
  104    HG   LEU  12           HG       LEU  12   8.995   2.983  -3.215
  105   1HD1  LEU  12          1HD1      LEU  12   6.494   4.617  -2.690
  106   2HD1  LEU  12          2HD1      LEU  12   6.919   3.791  -4.189
  107   3HD1  LEU  12          3HD1      LEU  12   7.863   5.179  -3.649
  108   1HD2  LEU  12          1HD2      LEU  12   9.941   4.350  -1.673
  109   2HD2  LEU  12          2HD2      LEU  12   8.872   3.571  -0.505
  110   3HD2  LEU  12          3HD2      LEU  12   8.393   5.090  -1.265
  111    H    PHE  13           H        PHE  13   7.829  -1.005  -0.933
  112    HA   PHE  13           HA       PHE  13  10.767  -1.354  -0.854
  113   1HB   PHE  13          2HB       PHE  13   9.497   0.432   0.852
  114   2HB   PHE  13          1HB       PHE  13   9.622  -1.030   1.830
  115    HD1  PHE  13           HD1      PHE  13  11.902   0.130  -0.879
  116    HD2  PHE  13           HD2      PHE  13  11.388  -0.528   3.333
  117    HE1  PHE  13           HE1      PHE  13  14.308   0.574  -0.518
  118    HE2  PHE  13           HE2      PHE  13  13.800  -0.081   3.697
  119    HZ   PHE  13           HZ       PHE  13  15.262   0.472   1.770
  120   1HN   NH2  14          1HN       NH2  14   7.819  -2.231   1.063
  121   2HN   NH2  14          2HN       NH2  14   8.109  -3.903   1.030
  Start of MODEL    2
    1   1H    ILE   1          1H        ILE   1  -9.735  -2.829  -1.407
    2   2H    ILE   1          2H        ILE   1 -10.427  -4.287  -0.875
    3   3H    ILE   1          3H        ILE   1  -9.136  -4.309  -1.979
    4    HA   ILE   1           HA       ILE   1  -8.719  -4.760   0.562
    5    HB   ILE   1           HB       ILE   1  -7.173  -4.654  -1.443
    6   1HG1  ILE   1          2HG1      ILE   1  -5.222  -3.658   0.138
    7   2HG1  ILE   1          1HG1      ILE   1  -6.487  -3.879   1.347
    8   1HG2  ILE   1          1HG2      ILE   1  -5.899  -2.518  -1.706
    9   2HG2  ILE   1          2HG2      ILE   1  -7.011  -1.754  -0.571
   10   3HG2  ILE   1          3HG2      ILE   1  -7.605  -2.351  -2.120
   11   1HD1  ILE   1          1HD1      ILE   1  -4.888  -5.874   0.865
   12   2HD1  ILE   1          2HD1      ILE   1  -5.839  -6.078  -0.607
   13   3HD1  ILE   1          3HD1      ILE   1  -6.619  -6.197   0.971
   14    H    LEU   2           H        LEU   2  -8.522  -3.682   2.522
   15    HA   LEU   2           HA       LEU   2  -9.624  -0.987   2.742
   16   1HB   LEU   2          2HB       LEU   2  -9.980  -2.864   4.355
   17   2HB   LEU   2          1HB       LEU   2  -8.268  -2.793   4.772
   18    HG   LEU   2           HG       LEU   2  -9.866  -1.522   6.322
   19   1HD1  LEU   2          1HD1      LEU   2  -7.262  -0.966   5.426
   20   2HD1  LEU   2          2HD1      LEU   2  -8.016  -0.381   6.909
   21   3HD1  LEU   2          3HD1      LEU   2  -8.086   0.593   5.442
   22   1HD2  LEU   2          1HD2      LEU   2  -9.861   0.402   3.974
   23   2HD2  LEU   2          2HD2      LEU   2 -10.611   0.674   5.547
   24   3HD2  LEU   2          3HD2      LEU   2 -11.247  -0.571   4.470
   25    H    GLY   3           H        GLY   3  -6.436  -2.380   2.503
   26   1HA   GLY   3          2HA       GLY   3  -5.192   0.167   3.414
   27   2HA   GLY   3          1HA       GLY   3  -4.340  -1.358   3.199
   28    H    LYS   4           H        LYS   4  -6.291   0.879   1.215
   29    HA   LYS   4           HA       LYS   4  -5.087   0.134  -1.281
   30   1HB   LYS   4          2HB       LYS   4  -7.251   1.492  -0.614
   31   2HB   LYS   4          1HB       LYS   4  -6.164   2.879  -0.690
   32   1HG   LYS   4          2HG       LYS   4  -5.599   2.401  -2.988
   33   2HG   LYS   4          1HG       LYS   4  -6.465   0.864  -2.934
   34   1HD   LYS   4          2HD       LYS   4  -8.476   2.480  -2.197
   35   2HD   LYS   4          1HD       LYS   4  -7.538   3.638  -3.142
   36   1HE   LYS   4          2HE       LYS   4  -8.810   2.711  -4.851
   37   2HE   LYS   4          1HE       LYS   4  -7.462   1.554  -4.854
   38   1HZ   LYS   4          1HZ       LYS   4  -8.883   0.526  -2.906
   39   2HZ   LYS   4          2HZ       LYS   4  -9.177   0.113  -4.528
   40   3HZ   LYS   4          3HZ       LYS   4 -10.157   1.261  -3.750
   41    H    ILE   5           H        ILE   5  -4.425   2.780   0.999
   42    HA   ILE   5           HA       ILE   5  -2.254   3.938  -0.512
   43    HB   ILE   5           HB       ILE   5  -3.236   4.016   2.345
   44   1HG1  ILE   5          2HG1      ILE   5  -4.460   5.138   0.397
   45   2HG1  ILE   5          1HG1      ILE   5  -4.035   6.189   1.747
   46   1HG2  ILE   5          1HG2      ILE   5  -0.645   4.891   1.265
   47   2HG2  ILE   5          2HG2      ILE   5  -1.152   4.683   2.942
   48   3HG2  ILE   5          3HG2      ILE   5  -1.535   6.175   2.082
   49   1HD1  ILE   5          1HD1      ILE   5  -3.473   7.257  -0.404
   50   2HD1  ILE   5          2HD1      ILE   5  -2.443   5.885  -0.816
   51   3HD1  ILE   5          3HD1      ILE   5  -2.017   6.934   0.537
   52    H    TRP   6           H        TRP   6  -2.519   1.309   1.799
   53    HA   TRP   6           HA       TRP   6   0.310   1.105   2.418
   54   1HB   TRP   6          2HB       TRP   6  -1.245   0.187   3.958
   55   2HB   TRP   6          1HB       TRP   6  -2.148  -0.632   2.685
   56    HD1  TRP   6           HD1      TRP   6  -1.556  -3.070   2.243
   57    HE1  TRP   6           HE1      TRP   6   0.351  -4.654   2.954
   58    HE3  TRP   6           HE3      TRP   6   1.515   0.252   4.611
   59    HZ2  TRP   6           HZ2      TRP   6   2.848  -4.528   4.342
   60    HZ3  TRP   6           HZ3      TRP   6   3.649  -0.505   5.618
   61    HH2  TRP   6           HH2      TRP   6   4.319  -2.890   5.486
   62    H    GLU   7           H        GLU   7  -1.747  -0.027  -0.181
   63    HA   GLU   7           HA       GLU   7  -0.140  -2.204  -1.131
   64   1HB   GLU   7          2HB       GLU   7  -2.325  -0.433  -2.067
   65   2HB   GLU   7          1HB       GLU   7  -1.375  -1.195  -3.344
   66   1HG   GLU   7          2HG       GLU   7  -1.811  -3.223  -1.450
   67   2HG   GLU   7          1HG       GLU   7  -3.356  -2.383  -1.590
   68    H    GLY   8           H        GLY   8   0.107   1.283  -1.510
   69   1HA   GLY   8          2HA       GLY   8   2.104   1.081  -3.655
   70   2HA   GLY   8          1HA       GLY   8   1.563   2.570  -2.880
   71    H    ILE   9           H        ILE   9   2.027   1.487  -0.166
   72    HA   ILE   9           HA       ILE   9   4.760   2.335   0.180
   73    HB   ILE   9           HB       ILE   9   2.863   0.801   1.990
   74   1HG1  ILE   9          2HG1      ILE   9   3.353   3.775   1.626
   75   2HG1  ILE   9          1HG1      ILE   9   1.887   2.902   1.183
   76   1HG2  ILE   9          1HG2      ILE   9   4.895   0.656   3.106
   77   2HG2  ILE   9          2HG2      ILE   9   4.313   2.212   3.698
   78   3HG2  ILE   9          3HG2      ILE   9   5.506   2.153   2.401
   79   1HD1  ILE   9          1HD1      ILE   9   1.474   3.941   3.318
   80   2HD1  ILE   9          2HD1      ILE   9   2.994   3.328   3.970
   81   3HD1  ILE   9          3HD1      ILE   9   1.675   2.213   3.609
   82    H    LYS  10           H        LYS  10   3.451  -0.821   1.220
   83    HA   LYS  10           HA       LYS  10   5.878  -2.223   1.319
   84   1HB   LYS  10          2HB       LYS  10   4.459  -4.190   1.268
   85   2HB   LYS  10          1HB       LYS  10   3.574  -2.912   2.103
   86   1HG   LYS  10          2HG       LYS  10   1.948  -3.658   0.621
   87   2HG   LYS  10          1HG       LYS  10   2.690  -2.371  -0.329
   88   1HD   LYS  10          2HD       LYS  10   3.050  -3.925  -1.927
   89   2HD   LYS  10          1HD       LYS  10   4.286  -4.592  -0.860
   90   1HE   LYS  10          2HE       LYS  10   2.805  -6.417  -1.391
   91   2HE   LYS  10          1HE       LYS  10   2.384  -5.919   0.259
   92   1HZ   LYS  10          1HZ       LYS  10   0.336  -5.836  -0.734
   93   2HZ   LYS  10          2HZ       LYS  10   0.956  -5.408  -2.256
   94   3HZ   LYS  10          3HZ       LYS  10   0.860  -4.248  -1.018
   95    H    SER  11           H        SER  11   4.083  -1.192  -1.477
   96    HA   SER  11           HA       SER  11   5.249  -3.120  -3.338
   97   1HB   SER  11          2HB       SER  11   3.122  -2.210  -3.879
   98   2HB   SER  11          1HB       SER  11   3.642  -0.567  -3.513
   99    HG   SER  11           HG       SER  11   4.866  -0.558  -5.356
  100    H    LEU  12           H        LEU  12   6.133   0.015  -2.055
  101    HA   LEU  12           HA       LEU  12   8.242   0.377  -4.125
  102   1HB   LEU  12          2HB       LEU  12   6.506   2.098  -2.989
  103   2HB   LEU  12          1HB       LEU  12   7.841   2.257  -1.846
  104    HG   LEU  12           HG       LEU  12   8.589   2.293  -4.716
  105   1HD1  LEU  12          1HD1      LEU  12   6.672   4.204  -3.501
  106   2HD1  LEU  12          2HD1      LEU  12   6.928   3.791  -5.196
  107   3HD1  LEU  12          3HD1      LEU  12   8.014   4.924  -4.391
  108   1HD2  LEU  12          1HD2      LEU  12  10.383   3.454  -3.903
  109   2HD2  LEU  12          2HD2      LEU  12   9.866   2.780  -2.359
  110   3HD2  LEU  12          3HD2      LEU  12   9.390   4.418  -2.811
  111    H    PHE  13           H        PHE  13   7.916  -1.180  -1.187
  112    HA   PHE  13           HA       PHE  13  10.791  -0.694  -0.471
  113   1HB   PHE  13          2HB       PHE  13   8.357  -0.495   0.996
  114   2HB   PHE  13          1HB       PHE  13   9.239  -1.881   1.641
  115    HD1  PHE  13           HD1      PHE  13  10.716   1.132   0.053
  116    HD2  PHE  13           HD2      PHE  13  10.010  -0.985   3.721
  117    HE1  PHE  13           HE1      PHE  13  12.254   2.667   1.232
  118    HE2  PHE  13           HE2      PHE  13  11.553   0.555   4.906
  119    HZ   PHE  13           HZ       PHE  13  12.676   2.383   3.662
  120   1HN   NH2  14          1HN       NH2  14  10.090  -2.675  -2.463
  121   2HN   NH2  14          2HN       NH2  14  10.369  -4.214  -1.805
  Start of MODEL    3
    1   1H    ILE   1          1H        ILE   1  -7.834  -6.850   1.226
    2   2H    ILE   1          2H        ILE   1  -8.817  -5.728   2.040
    3   3H    ILE   1          3H        ILE   1  -7.209  -5.969   2.533
    4    HA   ILE   1           HA       ILE   1  -6.333  -4.903   0.644
    5    HB   ILE   1           HB       ILE   1  -8.004  -6.224  -0.766
    6   1HG1  ILE   1          2HG1      ILE   1  -8.241  -3.996  -2.335
    7   2HG1  ILE   1          1HG1      ILE   1  -6.951  -3.500  -1.238
    8   1HG2  ILE   1          1HG2      ILE   1  -9.818  -4.004  -1.102
    9   2HG2  ILE   1          2HG2      ILE   1  -9.811  -4.517   0.586
   10   3HG2  ILE   1          3HG2      ILE   1 -10.187  -5.678  -0.688
   11   1HD1  ILE   1          1HD1      ILE   1  -6.839  -6.231  -2.473
   12   2HD1  ILE   1          2HD1      ILE   1  -5.517  -5.192  -1.941
   13   3HD1  ILE   1          3HD1      ILE   1  -6.371  -4.833  -3.442
   14    H    LEU   2           H        LEU   2  -7.919  -4.147   3.176
   15    HA   LEU   2           HA       LEU   2  -9.235  -1.621   2.573
   16   1HB   LEU   2          2HB       LEU   2  -9.950  -2.798   4.500
   17   2HB   LEU   2          1HB       LEU   2  -8.296  -3.100   5.032
   18    HG   LEU   2           HG       LEU   2  -7.988  -0.724   5.530
   19   1HD1  LEU   2          1HD1      LEU   2 -10.860  -0.089   5.129
   20   2HD1  LEU   2          2HD1      LEU   2  -9.896  -0.258   3.662
   21   3HD1  LEU   2          3HD1      LEU   2  -9.437   0.925   4.886
   22   1HD2  LEU   2          1HD2      LEU   2 -10.604  -1.086   6.830
   23   2HD2  LEU   2          2HD2      LEU   2  -9.004  -0.927   7.552
   24   3HD2  LEU   2          3HD2      LEU   2  -9.551  -2.494   6.955
   25    H    GLY   3           H        GLY   3  -6.035  -2.474   2.426
   26   1HA   GLY   3          2HA       GLY   3  -5.086   0.177   3.423
   27   2HA   GLY   3          1HA       GLY   3  -4.061  -1.243   3.231
   28    H    LYS   4           H        LYS   4  -6.183   0.830   1.252
   29    HA   LYS   4           HA       LYS   4  -4.989   0.165  -1.263
   30   1HB   LYS   4          2HB       LYS   4  -6.753   2.264  -0.101
   31   2HB   LYS   4          1HB       LYS   4  -5.986   2.649  -1.641
   32   1HG   LYS   4          2HG       LYS   4  -6.834   0.468  -2.544
   33   2HG   LYS   4          1HG       LYS   4  -7.717   0.236  -1.035
   34   1HD   LYS   4          2HD       LYS   4  -9.337   1.696  -1.637
   35   2HD   LYS   4          1HD       LYS   4  -8.164   2.880  -2.217
   36   1HE   LYS   4          2HE       LYS   4  -9.227   2.277  -4.219
   37   2HE   LYS   4          1HE       LYS   4  -7.876   1.128  -4.201
   38   1HZ   LYS   4          1HZ       LYS   4  -9.647  -0.294  -4.426
   39   2HZ   LYS   4          2HZ       LYS   4 -10.699   0.683  -3.517
   40   3HZ   LYS   4          3HZ       LYS   4  -9.510  -0.245  -2.736
   41    H    ILE   5           H        ILE   5  -4.388   2.835   1.010
   42    HA   ILE   5           HA       ILE   5  -2.323   4.112  -0.534
   43    HB   ILE   5           HB       ILE   5  -3.226   4.075   2.345
   44   1HG1  ILE   5          2HG1      ILE   5  -4.501   5.227   0.445
   45   2HG1  ILE   5          1HG1      ILE   5  -4.095   6.239   1.831
   46   1HG2  ILE   5          1HG2      ILE   5  -1.656   5.967   2.749
   47   2HG2  ILE   5          2HG2      ILE   5  -0.943   5.689   1.160
   48   3HG2  ILE   5          3HG2      ILE   5  -0.807   4.459   2.416
   49   1HD1  ILE   5          1HD1      ILE   5  -2.273   7.263   0.676
   50   2HD1  ILE   5          2HD1      ILE   5  -3.614   7.250  -0.469
   51   3HD1  ILE   5          3HD1      ILE   5  -2.321   6.059  -0.612
   52    H    TRP   6           H        TRP   6  -2.353   1.428   1.735
   53    HA   TRP   6           HA       TRP   6   0.525   1.360   2.172
   54   1HB   TRP   6          2HB       TRP   6  -0.866   0.418   3.842
   55   2HB   TRP   6          1HB       TRP   6  -1.838  -0.455   2.659
   56    HD1  TRP   6           HD1      TRP   6  -1.272  -2.908   2.391
   57    HE1  TRP   6           HE1      TRP   6   0.764  -4.406   2.909
   58    HE3  TRP   6           HE3      TRP   6   2.031   0.627   4.028
   59    HZ2  TRP   6           HZ2      TRP   6   3.438  -4.138   3.889
   60    HZ3  TRP   6           HZ3      TRP   6   4.312  -0.020   4.746
   61    HH2  TRP   6           HH2      TRP   6   5.019  -2.396   4.679
   62    H    GLU   7           H        GLU   7  -1.696   0.000  -0.189
   63    HA   GLU   7           HA       GLU   7  -0.153  -2.126  -1.239
   64   1HB   GLU   7          2HB       GLU   7  -2.269  -0.247  -2.170
   65   2HB   GLU   7          1HB       GLU   7  -1.411  -1.148  -3.421
   66   1HG   GLU   7          2HG       GLU   7  -2.703  -2.415  -0.989
   67   2HG   GLU   7          1HG       GLU   7  -3.449  -2.339  -2.586
   68    H    GLY   8           H        GLY   8   0.090   1.359  -1.776
   69   1HA   GLY   8          2HA       GLY   8   2.132   1.034  -3.865
   70   2HA   GLY   8          1HA       GLY   8   1.549   2.567  -3.217
   71    H    ILE   9           H        ILE   9   1.972   1.655  -0.417
   72    HA   ILE   9           HA       ILE   9   4.700   2.574  -0.100
   73    HB   ILE   9           HB       ILE   9   2.664   1.307   1.759
   74   1HG1  ILE   9          2HG1      ILE   9   3.468   4.157   1.117
   75   2HG1  ILE   9          1HG1      ILE   9   1.878   3.418   0.924
   76   1HG2  ILE   9          1HG2      ILE   9   5.080   2.917   2.587
   77   2HG2  ILE   9          2HG2      ILE   9   5.147   1.161   2.445
   78   3HG2  ILE   9          3HG2      ILE   9   4.039   1.911   3.593
   79   1HD1  ILE   9          1HD1      ILE   9   1.461   4.377   2.951
   80   2HD1  ILE   9          2HD1      ILE   9   3.174   4.496   3.356
   81   3HD1  ILE   9          3HD1      ILE   9   2.320   2.969   3.575
   82    H    LYS  10           H        LYS  10   3.111  -0.610   0.217
   83    HA   LYS  10           HA       LYS  10   5.492  -2.025   1.045
   84   1HB   LYS  10          2HB       LYS  10   4.082  -3.988   0.582
   85   2HB   LYS  10          1HB       LYS  10   3.138  -2.748   1.407
   86   1HG   LYS  10          2HG       LYS  10   2.045  -2.091  -0.597
   87   2HG   LYS  10          1HG       LYS  10   3.211  -2.947  -1.606
   88   1HD   LYS  10          2HD       LYS  10   1.628  -4.515   0.395
   89   2HD   LYS  10          1HD       LYS  10   0.840  -4.013  -1.101
   90   1HE   LYS  10          2HE       LYS  10   2.242  -5.317  -2.438
   91   2HE   LYS  10          1HE       LYS  10   3.552  -5.312  -1.240
   92   1HZ   LYS  10          1HZ       LYS  10   2.431  -6.796   0.122
   93   2HZ   LYS  10          2HZ       LYS  10   2.096  -7.406  -1.427
   94   3HZ   LYS  10          3HZ       LYS  10   0.926  -6.495  -0.598
   95    H    SER  11           H        SER  11   4.204  -1.041  -2.060
   96    HA   SER  11           HA       SER  11   5.842  -2.906  -3.621
   97   1HB   SER  11          2HB       SER  11   3.615  -1.188  -3.972
   98   2HB   SER  11          1HB       SER  11   4.866  -0.607  -5.068
   99    HG   SER  11           HG       SER  11   3.981  -3.299  -4.824
  100    H    LEU  12           H        LEU  12   6.198   0.296  -2.275
  101    HA   LEU  12           HA       LEU  12   8.457   1.015  -4.029
  102   1HB   LEU  12          2HB       LEU  12   6.587   2.269  -2.223
  103   2HB   LEU  12          1HB       LEU  12   8.231   2.730  -1.782
  104    HG   LEU  12           HG       LEU  12   8.490   3.050  -4.402
  105   1HD1  LEU  12          1HD1      LEU  12   5.515   3.259  -3.882
  106   2HD1  LEU  12          2HD1      LEU  12   6.333   2.276  -5.098
  107   3HD1  LEU  12          3HD1      LEU  12   6.298   4.032  -5.261
  108   1HD2  LEU  12          1HD2      LEU  12   7.344   4.849  -2.299
  109   2HD2  LEU  12          2HD2      LEU  12   7.394   5.434  -3.962
  110   3HD2  LEU  12          3HD2      LEU  12   8.886   4.962  -3.148
  111    H    PHE  13           H        PHE  13   7.931  -0.442  -0.893
  112    HA   PHE  13           HA       PHE  13  10.284   0.077   0.514
  113   1HB   PHE  13          2HB       PHE  13   8.137  -1.714   0.584
  114   2HB   PHE  13          1HB       PHE  13   9.560  -2.753   0.515
  115    HD1  PHE  13           HD1      PHE  13   9.291   0.651   1.998
  116    HD2  PHE  13           HD2      PHE  13   9.727  -3.555   2.747
  117    HE1  PHE  13           HE1      PHE  13   9.751   1.125   4.382
  118    HE2  PHE  13           HE2      PHE  13  10.189  -3.080   5.139
  119    HZ   PHE  13           HZ       PHE  13  10.200  -0.739   5.957
  120   1HN   NH2  14          1HN       NH2  14   9.862  -2.478  -2.010
  121   2HN   NH2  14          2HN       NH2  14  11.520  -2.670  -2.315
  Start of MODEL    4
    1   1H    ILE   1          1H        ILE   1  -9.134   0.477  -1.401
    2   2H    ILE   1          2H        ILE   1 -10.500   0.192  -0.433
    3   3H    ILE   1          3H        ILE   1 -10.595   0.003  -2.118
    4    HA   ILE   1           HA       ILE   1 -10.400  -2.186  -1.433
    5    HB   ILE   1           HB       ILE   1  -7.580  -1.118  -1.777
    6   1HG1  ILE   1          2HG1      ILE   1  -9.690  -1.863  -3.830
    7   2HG1  ILE   1          1HG1      ILE   1  -9.099  -0.234  -3.500
    8   1HG2  ILE   1          1HG2      ILE   1  -7.424  -3.385  -3.035
    9   2HG2  ILE   1          2HG2      ILE   1  -8.880  -3.815  -2.135
   10   3HG2  ILE   1          3HG2      ILE   1  -7.395  -3.413  -1.272
   11   1HD1  ILE   1          1HD1      ILE   1  -6.759  -1.621  -3.934
   12   2HD1  ILE   1          2HD1      ILE   1  -7.593  -0.645  -5.144
   13   3HD1  ILE   1          3HD1      ILE   1  -7.865  -2.386  -5.076
   14    H    LEU   2           H        LEU   2  -9.004  -3.780  -0.066
   15    HA   LEU   2           HA       LEU   2  -9.308  -3.328   2.678
   16   1HB   LEU   2          2HB       LEU   2  -8.039  -5.206   0.887
   17   2HB   LEU   2          1HB       LEU   2  -7.023  -4.964   2.309
   18    HG   LEU   2           HG       LEU   2  -9.736  -5.131   3.189
   19   1HD1  LEU   2          1HD1      LEU   2  -8.858  -7.340   1.307
   20   2HD1  LEU   2          2HD1      LEU   2 -10.275  -6.304   1.133
   21   3HD1  LEU   2          3HD1      LEU   2 -10.200  -7.484   2.442
   22   1HD2  LEU   2          1HD2      LEU   2  -7.618  -7.275   3.421
   23   2HD2  LEU   2          2HD2      LEU   2  -8.859  -6.835   4.595
   24   3HD2  LEU   2          3HD2      LEU   2  -7.496  -5.754   4.305
   25    H    GLY   3           H        GLY   3  -6.804  -2.141   0.553
   26   1HA   GLY   3          2HA       GLY   3  -5.814  -0.278   2.487
   27   2HA   GLY   3          1HA       GLY   3  -4.713  -1.650   2.390
   28    H    LYS   4           H        LYS   4  -6.352   0.746   0.337
   29    HA   LYS   4           HA       LYS   4  -4.687   0.286  -1.977
   30   1HB   LYS   4          2HB       LYS   4  -7.004   1.631  -1.367
   31   2HB   LYS   4          1HB       LYS   4  -5.865   2.962  -1.572
   32   1HG   LYS   4          2HG       LYS   4  -6.458   0.761  -3.570
   33   2HG   LYS   4          1HG       LYS   4  -6.860   2.472  -3.730
   34   1HD   LYS   4          2HD       LYS   4  -4.417   3.006  -3.629
   35   2HD   LYS   4          1HD       LYS   4  -4.077   1.276  -3.626
   36   1HE   LYS   4          2HE       LYS   4  -3.980   1.600  -5.908
   37   2HE   LYS   4          1HE       LYS   4  -5.744   1.437  -5.779
   38   1HZ   LYS   4          1HZ       LYS   4  -4.174   3.958  -5.671
   39   2HZ   LYS   4          2HZ       LYS   4  -5.835   3.855  -5.333
   40   3HZ   LYS   4          3HZ       LYS   4  -5.258   3.490  -6.889
   41    H    ILE   5           H        ILE   5  -4.545   2.552   0.747
   42    HA   ILE   5           HA       ILE   5  -2.261   4.037  -0.254
   43    HB   ILE   5           HB       ILE   5  -3.653   3.697   2.409
   44   1HG1  ILE   5          2HG1      ILE   5  -4.714   4.939   0.442
   45   2HG1  ILE   5          1HG1      ILE   5  -4.564   5.858   1.939
   46   1HG2  ILE   5          1HG2      ILE   5  -1.710   4.426   3.340
   47   2HG2  ILE   5          2HG2      ILE   5  -2.162   5.987   2.656
   48   3HG2  ILE   5          3HG2      ILE   5  -1.048   4.932   1.787
   49   1HD1  ILE   5          1HD1      ILE   5  -3.561   6.576  -0.595
   50   2HD1  ILE   5          2HD1      ILE   5  -2.151   6.114   0.360
   51   3HD1  ILE   5          3HD1      ILE   5  -3.234   7.378   0.942
   52    H    TRP   6           H        TRP   6  -2.711   1.156   1.721
   53    HA   TRP   6           HA       TRP   6   0.077   1.042   2.609
   54   1HB   TRP   6          2HB       TRP   6  -1.577   0.113   4.044
   55   2HB   TRP   6          1HB       TRP   6  -2.350  -0.756   2.717
   56    HD1  TRP   6           HD1      TRP   6  -1.914  -3.240   2.959
   57    HE1  TRP   6           HE1      TRP   6   0.098  -4.714   3.610
   58    HE3  TRP   6           HE3      TRP   6   1.508   0.383   4.078
   59    HZ2  TRP   6           HZ2      TRP   6   2.801  -4.399   4.492
   60    HZ3  TRP   6           HZ3      TRP   6   3.791  -0.232   4.821
   61    HH2  TRP   6           HH2      TRP   6   4.441  -2.616   5.029
   62    H    GLU   7           H        GLU   7  -1.882  -0.385   0.031
   63    HA   GLU   7           HA       GLU   7  -0.086  -2.415  -0.838
   64   1HB   GLU   7          2HB       GLU   7  -2.549  -1.361  -1.548
   65   2HB   GLU   7          1HB       GLU   7  -1.541  -0.974  -2.944
   66   1HG   GLU   7          2HG       GLU   7  -1.550  -3.120  -3.618
   67   2HG   GLU   7          1HG       GLU   7  -0.991  -3.664  -2.035
   68    H    GLY   8           H        GLY   8  -0.062   1.065  -1.297
   69   1HA   GLY   8          2HA       GLY   8   1.977   0.958  -3.406
   70   2HA   GLY   8          1HA       GLY   8   1.337   2.422  -2.659
   71    H    ILE   9           H        ILE   9   1.830   1.527   0.074
   72    HA   ILE   9           HA       ILE   9   4.485   2.519   0.452
   73    HB   ILE   9           HB       ILE   9   2.580   0.906   2.172
   74   1HG1  ILE   9          2HG1      ILE   9   3.241   3.848   1.886
   75   2HG1  ILE   9          1HG1      ILE   9   1.680   3.063   1.645
   76   1HG2  ILE   9          1HG2      ILE   9   4.912   0.627   2.958
   77   2HG2  ILE   9          2HG2      ILE   9   3.966   1.599   4.084
   78   3HG2  ILE   9          3HG2      ILE   9   5.105   2.380   2.986
   79   1HD1  ILE   9          1HD1      ILE   9   1.373   3.891   3.785
   80   2HD1  ILE   9          2HD1      ILE   9   3.083   3.749   4.196
   81   3HD1  ILE   9          3HD1      ILE   9   2.060   2.312   4.169
   82    H    LYS  10           H        LYS  10   3.383  -0.773   1.328
   83    HA   LYS  10           HA       LYS  10   5.937  -1.961   1.489
   84   1HB   LYS  10          2HB       LYS  10   4.674  -4.048   1.337
   85   2HB   LYS  10          1HB       LYS  10   3.727  -2.874   2.252
   86   1HG   LYS  10          2HG       LYS  10   2.533  -2.279   0.119
   87   2HG   LYS  10          1HG       LYS  10   3.379  -3.613  -0.667
   88   1HD   LYS  10          2HD       LYS  10   1.428  -3.782   1.643
   89   2HD   LYS  10          1HD       LYS  10   1.237  -4.459   0.025
   90   1HE   LYS  10          2HE       LYS  10   3.139  -5.987   0.423
   91   2HE   LYS  10          1HE       LYS  10   3.344  -5.305   2.049
   92   1HZ   LYS  10          1HZ       LYS  10   1.925  -7.053   2.466
   93   2HZ   LYS  10          2HZ       LYS  10   1.119  -6.908   0.977
   94   3HZ   LYS  10          3HZ       LYS  10   0.816  -5.794   2.223
   95    H    SER  11           H        SER  11   3.993  -1.187  -1.326
   96    HA   SER  11           HA       SER  11   5.464  -2.908  -3.171
   97   1HB   SER  11          2HB       SER  11   3.255  -2.404  -3.793
   98   2HB   SER  11          1HB       SER  11   3.407  -0.716  -3.313
   99    HG   SER  11           HG       SER  11   3.763  -0.446  -5.375
  100    H    LEU  12           H        LEU  12   5.724   0.410  -2.026
  101    HA   LEU  12           HA       LEU  12   7.453   1.423  -4.085
  102   1HB   LEU  12          2HB       LEU  12   6.589   2.111  -1.322
  103   2HB   LEU  12          1HB       LEU  12   8.078   2.874  -1.885
  104    HG   LEU  12           HG       LEU  12   5.570   2.861  -3.568
  105   1HD1  LEU  12          1HD1      LEU  12   4.686   4.093  -1.843
  106   2HD1  LEU  12          2HD1      LEU  12   5.629   5.376  -2.600
  107   3HD1  LEU  12          3HD1      LEU  12   6.271   4.520  -1.198
  108   1HD2  LEU  12          1HD2      LEU  12   6.841   4.054  -5.006
  109   2HD2  LEU  12          2HD2      LEU  12   8.232   3.648  -4.002
  110   3HD2  LEU  12          3HD2      LEU  12   7.354   5.152  -3.725
  111    H    PHE  13           H        PHE  13   8.018  -0.573  -1.257
  112    HA   PHE  13           HA       PHE  13  10.919  -0.156  -1.226
  113   1HB   PHE  13          2HB       PHE  13   8.859  -1.268   0.407
  114   2HB   PHE  13          1HB       PHE  13  10.053  -2.537   0.126
  115    HD1  PHE  13           HD1      PHE  13  10.675   1.123   0.182
  116    HD2  PHE  13           HD2      PHE  13  11.146  -2.610   2.251
  117    HE1  PHE  13           HE1      PHE  13  12.203   2.211   1.794
  118    HE2  PHE  13           HE2      PHE  13  12.677  -1.519   3.870
  119    HZ   PHE  13           HZ       PHE  13  13.207   0.893   3.641
  120   1HN   NH2  14          1HN       NH2  14  12.474  -1.932  -1.767
  121   2HN   NH2  14          2HN       NH2  14  12.069  -3.098  -2.933
  Start of MODEL    5
    1   1H    ILE   1          1H        ILE   1 -12.124  -2.165   0.015
    2   2H    ILE   1          2H        ILE   1 -11.416  -0.776   0.690
    3   3H    ILE   1          3H        ILE   1 -11.900  -2.060   1.693
    4    HA   ILE   1           HA       ILE   1 -10.223  -3.387   0.136
    5    HB   ILE   1           HB       ILE   1  -9.960  -1.168  -1.101
    6   1HG1  ILE   1          2HG1      ILE   1  -7.240  -1.787  -0.143
    7   2HG1  ILE   1          1HG1      ILE   1  -8.172  -3.204  -0.628
    8   1HG2  ILE   1          1HG2      ILE   1  -7.992  -0.303   0.937
    9   2HG2  ILE   1          2HG2      ILE   1  -9.686  -0.113   1.393
   10   3HG2  ILE   1          3HG2      ILE   1  -9.071   0.664  -0.067
   11   1HD1  ILE   1          1HD1      ILE   1  -8.173  -2.608  -2.825
   12   2HD1  ILE   1          2HD1      ILE   1  -6.785  -1.620  -2.370
   13   3HD1  ILE   1          3HD1      ILE   1  -8.392  -0.897  -2.460
   14    H    LEU   2           H        LEU   2  -8.265  -3.995   1.340
   15    HA   LEU   2           HA       LEU   2  -8.557  -3.557   4.236
   16   1HB   LEU   2          2HB       LEU   2  -8.100  -5.770   3.212
   17   2HB   LEU   2          1HB       LEU   2  -6.576  -5.151   2.577
   18    HG   LEU   2           HG       LEU   2  -6.369  -4.477   5.224
   19   1HD1  LEU   2          1HD1      LEU   2  -7.774  -7.160   5.061
   20   2HD1  LEU   2          2HD1      LEU   2  -8.450  -5.690   5.765
   21   3HD1  LEU   2          3HD1      LEU   2  -7.053  -6.466   6.512
   22   1HD2  LEU   2          1HD2      LEU   2  -4.504  -5.485   4.270
   23   2HD2  LEU   2          2HD2      LEU   2  -5.448  -6.795   3.560
   24   3HD2  LEU   2          3HD2      LEU   2  -5.089  -6.802   5.286
   25    H    GLY   3           H        GLY   3  -6.824  -2.096   1.678
   26   1HA   GLY   3          2HA       GLY   3  -5.609  -0.092   3.195
   27   2HA   GLY   3          1HA       GLY   3  -4.417  -1.389   3.116
   28    H    LYS   4           H        LYS   4  -6.329   0.840   1.151
   29    HA   LYS   4           HA       LYS   4  -5.120   0.108  -1.375
   30   1HB   LYS   4          2HB       LYS   4  -7.301   1.465  -0.655
   31   2HB   LYS   4          1HB       LYS   4  -6.206   2.839  -0.801
   32   1HG   LYS   4          2HG       LYS   4  -6.015   0.927  -3.029
   33   2HG   LYS   4          1HG       LYS   4  -7.588   1.714  -2.895
   34   1HD   LYS   4          2HD       LYS   4  -6.287   3.917  -2.667
   35   2HD   LYS   4          1HD       LYS   4  -4.879   3.011  -3.222
   36   1HE   LYS   4          2HE       LYS   4  -7.498   3.042  -4.753
   37   2HE   LYS   4          1HE       LYS   4  -6.177   4.184  -5.074
   38   1HZ   LYS   4          1HZ       LYS   4  -4.672   2.264  -5.280
   39   2HZ   LYS   4          2HZ       LYS   4  -5.896   2.251  -6.458
   40   3HZ   LYS   4          3HZ       LYS   4  -5.996   1.217  -5.114
   41    H    ILE   5           H        ILE   5  -4.524   2.699   0.987
   42    HA   ILE   5           HA       ILE   5  -2.320   3.880  -0.478
   43    HB   ILE   5           HB       ILE   5  -3.343   3.992   2.370
   44   1HG1  ILE   5          2HG1      ILE   5  -4.672   4.977   0.436
   45   2HG1  ILE   5          1HG1      ILE   5  -4.241   6.121   1.707
   46   1HG2  ILE   5          1HG2      ILE   5  -0.922   4.450   2.377
   47   2HG2  ILE   5          2HG2      ILE   5  -1.834   5.929   2.680
   48   3HG2  ILE   5          3HG2      ILE   5  -1.136   5.633   1.087
   49   1HD1  ILE   5          1HD1      ILE   5  -3.749   6.511  -0.968
   50   2HD1  ILE   5          2HD1      ILE   5  -2.209   5.858  -0.409
   51   3HD1  ILE   5          3HD1      ILE   5  -2.874   7.310   0.337
   52    H    TRP   6           H        TRP   6  -2.653   1.294   1.876
   53    HA   TRP   6           HA       TRP   6   0.183   1.128   2.536
   54   1HB   TRP   6          2HB       TRP   6  -1.413   0.348   4.128
   55   2HB   TRP   6          1HB       TRP   6  -2.267  -0.605   2.915
   56    HD1  TRP   6           HD1      TRP   6  -1.603  -3.055   2.708
   57    HE1  TRP   6           HE1      TRP   6   0.337  -4.512   3.583
   58    HE3  TRP   6           HE3      TRP   6   1.338   0.556   4.805
   59    HZ2  TRP   6           HZ2      TRP   6   2.808  -4.189   4.988
   60    HZ3  TRP   6           HZ3      TRP   6   3.476  -0.045   5.903
   61    HH2  TRP   6           HH2      TRP   6   4.215  -2.410   5.998
   62    H    GLU   7           H        GLU   7  -1.924  -0.207   0.065
   63    HA   GLU   7           HA       GLU   7  -0.330  -2.438  -0.751
   64   1HB   GLU   7          2HB       GLU   7  -2.731  -1.236  -1.423
   65   2HB   GLU   7          1HB       GLU   7  -1.748  -0.959  -2.860
   66   1HG   GLU   7          2HG       GLU   7  -1.158  -3.407  -2.842
   67   2HG   GLU   7          1HG       GLU   7  -2.327  -3.623  -1.539
   68    H    GLY   8           H        GLY   8  -0.153   1.009  -1.484
   69   1HA   GLY   8          2HA       GLY   8   1.854   0.658  -3.582
   70   2HA   GLY   8          1HA       GLY   8   1.325   2.198  -2.904
   71    H    ILE   9           H        ILE   9   1.813   1.288  -0.128
   72    HA   ILE   9           HA       ILE   9   4.546   2.158   0.142
   73    HB   ILE   9           HB       ILE   9   2.603   0.771   2.018
   74   1HG1  ILE   9          2HG1      ILE   9   3.312   3.679   1.523
   75   2HG1  ILE   9          1HG1      ILE   9   1.756   2.903   1.225
   76   1HG2  ILE   9          1HG2      ILE   9   4.189   0.810   3.621
   77   2HG2  ILE   9          2HG2      ILE   9   4.585   2.490   3.260
   78   3HG2  ILE   9          3HG2      ILE   9   5.362   1.188   2.359
   79   1HD1  ILE   9          1HD1      ILE   9   1.336   3.854   3.294
   80   2HD1  ILE   9          2HD1      ILE   9   3.011   3.698   3.822
   81   3HD1  ILE   9          3HD1      ILE   9   1.958   2.284   3.801
   82    H    LYS  10           H        LYS  10   3.029  -1.041   0.740
   83    HA   LYS  10           HA       LYS  10   5.415  -2.480   1.279
   84   1HB   LYS  10          2HB       LYS  10   4.001  -4.429   0.746
   85   2HB   LYS  10          1HB       LYS  10   3.080  -3.239   1.665
   86   1HG   LYS  10          2HG       LYS  10   1.583  -3.675  -0.051
   87   2HG   LYS  10          1HG       LYS  10   2.479  -2.328  -0.754
   88   1HD   LYS  10          2HD       LYS  10   2.927  -3.693  -2.495
   89   2HD   LYS  10          1HD       LYS  10   4.010  -4.564  -1.409
   90   1HE   LYS  10          2HE       LYS  10   2.379  -6.205  -0.904
   91   2HE   LYS  10          1HE       LYS  10   1.050  -5.187  -1.494
   92   1HZ   LYS  10          1HZ       LYS  10   3.030  -6.718  -3.012
   93   2HZ   LYS  10          2HZ       LYS  10   2.522  -5.232  -3.661
   94   3HZ   LYS  10          3HZ       LYS  10   1.387  -6.455  -3.341
   95    H    SER  11           H        SER  11   4.038  -1.380  -1.749
   96    HA   SER  11           HA       SER  11   5.632  -3.156  -3.440
   97   1HB   SER  11          2HB       SER  11   3.637  -0.979  -3.686
   98   2HB   SER  11          1HB       SER  11   4.764  -1.117  -5.032
   99    HG   SER  11           HG       SER  11   3.405  -2.630  -5.618
  100    H    LEU  12           H        LEU  12   6.035  -0.003  -1.969
  101    HA   LEU  12           HA       LEU  12   8.403   0.600  -3.669
  102   1HB   LEU  12          2HB       LEU  12   6.551   2.051  -1.825
  103   2HB   LEU  12          1HB       LEU  12   8.182   2.696  -2.015
  104    HG   LEU  12           HG       LEU  12   7.577   2.224  -4.609
  105   1HD1  LEU  12          1HD1      LEU  12   5.293   1.439  -4.011
  106   2HD1  LEU  12          2HD1      LEU  12   5.251   2.884  -5.021
  107   3HD1  LEU  12          3HD1      LEU  12   4.962   3.013  -3.287
  108   1HD2  LEU  12          1HD2      LEU  12   7.302   4.582  -4.814
  109   2HD2  LEU  12          2HD2      LEU  12   8.307   4.364  -3.381
  110   3HD2  LEU  12          3HD2      LEU  12   6.588   4.716  -3.207
  111    H    PHE  13           H        PHE  13   7.522  -0.340  -0.396
  112    HA   PHE  13           HA       PHE  13  10.111  -1.345   0.264
  113   1HB   PHE  13          2HB       PHE  13  10.063   1.405   0.143
  114   2HB   PHE  13          1HB       PHE  13   9.767   1.113   1.858
  115    HD1  PHE  13           HD1      PHE  13  11.737  -0.936  -0.557
  116    HD2  PHE  13           HD2      PHE  13  11.835   1.617   2.895
  117    HE1  PHE  13           HE1      PHE  13  14.130  -1.471  -0.232
  118    HE2  PHE  13           HE2      PHE  13  14.236   1.084   3.220
  119    HZ   PHE  13           HZ       PHE  13  15.385  -0.461   1.655
  120   1HN   NH2  14          1HN       NH2  14   8.850  -3.007   1.336
  121   2HN   NH2  14          2HN       NH2  14   7.960  -2.710   2.751
  Start of MODEL    6
    1   1H    ILE   1          1H        ILE   1 -10.006  -4.623  -1.398
    2   2H    ILE   1          2H        ILE   1 -10.398  -2.970  -1.366
    3   3H    ILE   1          3H        ILE   1 -11.122  -4.039  -0.262
    4    HA   ILE   1           HA       ILE   1  -9.244  -4.209   1.045
    5    HB   ILE   1           HB       ILE   1  -7.007  -3.548  -0.051
    6   1HG1  ILE   1          2HG1      ILE   1  -8.632  -3.861  -2.588
    7   2HG1  ILE   1          1HG1      ILE   1  -8.219  -2.285  -1.913
    8   1HG2  ILE   1          1HG2      ILE   1  -8.628  -5.915  -0.269
    9   2HG2  ILE   1          2HG2      ILE   1  -6.871  -5.791  -0.172
   10   3HG2  ILE   1          3HG2      ILE   1  -7.674  -5.730  -1.741
   11   1HD1  ILE   1          1HD1      ILE   1  -5.877  -3.983  -2.000
   12   2HD1  ILE   1          2HD1      ILE   1  -6.132  -2.407  -2.748
   13   3HD1  ILE   1          3HD1      ILE   1  -6.616  -3.874  -3.597
   14    H    LEU   2           H        LEU   2  -9.752  -2.530   2.430
   15    HA   LEU   2           HA       LEU   2 -10.045   0.222   1.601
   16   1HB   LEU   2          2HB       LEU   2 -10.548  -1.417   3.838
   17   2HB   LEU   2          1HB       LEU   2  -9.448  -0.164   4.414
   18    HG   LEU   2           HG       LEU   2 -10.985   1.512   3.228
   19   1HD1  LEU   2          1HD1      LEU   2 -12.114  -0.510   1.999
   20   2HD1  LEU   2          2HD1      LEU   2 -13.115   0.844   2.524
   21   3HD1  LEU   2          3HD1      LEU   2 -13.070  -0.640   3.475
   22   1HD2  LEU   2          1HD2      LEU   2 -10.899   0.804   5.760
   23   2HD2  LEU   2          2HD2      LEU   2 -12.451   0.045   5.407
   24   3HD2  LEU   2          3HD2      LEU   2 -12.248   1.782   5.181
   25    H    GLY   3           H        GLY   3  -7.290  -1.711   2.236
   26   1HA   GLY   3          2HA       GLY   3  -5.613   0.569   3.089
   27   2HA   GLY   3          1HA       GLY   3  -5.076  -1.099   2.922
   28    H    LYS   4           H        LYS   4  -6.654   1.149   0.653
   29    HA   LYS   4           HA       LYS   4  -5.153   0.239  -1.619
   30   1HB   LYS   4          2HB       LYS   4  -7.348   1.812  -1.124
   31   2HB   LYS   4          1HB       LYS   4  -6.157   3.022  -1.603
   32   1HG   LYS   4          2HG       LYS   4  -6.298   2.399  -3.763
   33   2HG   LYS   4          1HG       LYS   4  -6.008   0.710  -3.343
   34   1HD   LYS   4          2HD       LYS   4  -8.354   0.361  -2.857
   35   2HD   LYS   4          1HD       LYS   4  -8.694   2.081  -3.050
   36   1HE   LYS   4          2HE       LYS   4  -7.957   1.915  -5.444
   37   2HE   LYS   4          1HE       LYS   4  -7.789   0.161  -5.225
   38   1HZ   LYS   4          1HZ       LYS   4 -10.007  -0.129  -5.056
   39   2HZ   LYS   4          2HZ       LYS   4 -10.080   1.322  -5.937
   40   3HZ   LYS   4          3HZ       LYS   4 -10.259   1.339  -4.248
   41    H    ILE   5           H        ILE   5  -4.618   2.744   0.791
   42    HA   ILE   5           HA       ILE   5  -2.363   3.977  -0.598
   43    HB   ILE   5           HB       ILE   5  -3.570   4.087   2.177
   44   1HG1  ILE   5          2HG1      ILE   5  -4.731   5.088   0.129
   45   2HG1  ILE   5          1HG1      ILE   5  -4.433   6.200   1.464
   46   1HG2  ILE   5          1HG2      ILE   5  -1.319   5.803   1.082
   47   2HG2  ILE   5          2HG2      ILE   5  -1.103   4.509   2.261
   48   3HG2  ILE   5          3HG2      ILE   5  -2.058   5.932   2.679
   49   1HD1  ILE   5          1HD1      ILE   5  -3.817   7.070  -0.854
   50   2HD1  ILE   5          2HD1      ILE   5  -2.510   5.885  -0.850
   51   3HD1  ILE   5          3HD1      ILE   5  -2.542   7.167   0.361
   52    H    TRP   6           H        TRP   6  -2.854   1.332   1.641
   53    HA   TRP   6           HA       TRP   6  -0.077   1.172   2.536
   54   1HB   TRP   6          2HB       TRP   6  -1.748   0.341   3.998
   55   2HB   TRP   6          1HB       TRP   6  -2.568  -0.528   2.701
   56    HD1  TRP   6           HD1      TRP   6  -2.135  -3.018   2.704
   57    HE1  TRP   6           HE1      TRP   6  -0.246  -4.574   3.516
   58    HE3  TRP   6           HE3      TRP   6   1.180   0.454   4.447
   59    HZ2  TRP   6           HZ2      TRP   6   2.330  -4.372   4.742
   60    HZ3  TRP   6           HZ3      TRP   6   3.341  -0.255   5.432
   61    HH2  TRP   6           HH2      TRP   6   3.920  -2.661   5.581
   62    H    GLU   7           H        GLU   7  -1.975  -0.108  -0.125
   63    HA   GLU   7           HA       GLU   7  -0.318  -2.319  -0.864
   64   1HB   GLU   7          2HB       GLU   7  -2.598  -0.882  -1.785
   65   2HB   GLU   7          1HB       GLU   7  -1.470  -0.988  -3.138
   66   1HG   GLU   7          2HG       GLU   7  -1.400  -3.523  -1.930
   67   2HG   GLU   7          1HG       GLU   7  -3.105  -3.074  -1.961
   68    H    GLY   8           H        GLY   8  -0.041   1.146  -1.433
   69   1HA   GLY   8          2HA       GLY   8   2.125   0.819  -3.389
   70   2HA   GLY   8          1HA       GLY   8   1.521   2.352  -2.758
   71    H    ILE   9           H        ILE   9   1.773   1.480   0.050
   72    HA   ILE   9           HA       ILE   9   4.437   2.391   0.581
   73    HB   ILE   9           HB       ILE   9   2.396   0.870   2.234
   74   1HG1  ILE   9          2HG1      ILE   9   3.073   3.817   1.967
   75   2HG1  ILE   9          1HG1      ILE   9   1.589   3.032   1.425
   76   1HG2  ILE   9          1HG2      ILE   9   4.910   2.353   3.057
   77   2HG2  ILE   9          2HG2      ILE   9   4.586   0.631   3.263
   78   3HG2  ILE   9          3HG2      ILE   9   3.661   1.819   4.180
   79   1HD1  ILE   9          1HD1      ILE   9   0.899   2.569   3.661
   80   2HD1  ILE   9          2HD1      ILE   9   1.461   4.241   3.678
   81   3HD1  ILE   9          3HD1      ILE   9   2.493   2.958   4.309
   82    H    LYS  10           H        LYS  10   3.097  -0.849   1.337
   83    HA   LYS  10           HA       LYS  10   5.570  -2.146   1.782
   84   1HB   LYS  10          2HB       LYS  10   4.248  -4.164   1.546
   85   2HB   LYS  10          1HB       LYS  10   3.212  -2.932   2.265
   86   1HG   LYS  10          2HG       LYS  10   1.773  -3.531   0.600
   87   2HG   LYS  10          1HG       LYS  10   2.777  -2.463  -0.381
   88   1HD   LYS  10          2HD       LYS  10   3.981  -4.249  -1.324
   89   2HD   LYS  10          1HD       LYS  10   3.519  -5.360  -0.034
   90   1HE   LYS  10          2HE       LYS  10   1.328  -4.183  -1.707
   91   2HE   LYS  10          1HE       LYS  10   2.313  -5.485  -2.404
   92   1HZ   LYS  10          1HZ       LYS  10   0.777  -5.523   0.130
   93   2HZ   LYS  10          2HZ       LYS  10   1.987  -6.665  -0.218
   94   3HZ   LYS  10          3HZ       LYS  10   0.608  -6.556  -1.204
   95    H    SER  11           H        SER  11   4.052  -1.178  -1.203
   96    HA   SER  11           HA       SER  11   5.548  -3.008  -2.921
   97   1HB   SER  11          2HB       SER  11   3.376  -2.156  -3.577
   98   2HB   SER  11          1HB       SER  11   3.915  -0.492  -3.369
   99    HG   SER  11           HG       SER  11   4.775  -0.571  -5.281
  100    H    LEU  12           H        LEU  12   6.137   0.102  -1.461
  101    HA   LEU  12           HA       LEU  12   8.276   0.822  -3.361
  102   1HB   LEU  12          2HB       LEU  12   6.784   2.015  -1.089
  103   2HB   LEU  12          1HB       LEU  12   8.435   2.594  -1.313
  104    HG   LEU  12           HG       LEU  12   6.723   2.378  -3.746
  105   1HD1  LEU  12          1HD1      LEU  12   6.452   4.593  -1.689
  106   2HD1  LEU  12          2HD1      LEU  12   5.207   3.415  -2.100
  107   3HD1  LEU  12          3HD1      LEU  12   5.730   4.598  -3.298
  108   1HD2  LEU  12          1HD2      LEU  12   8.660   3.351  -4.428
  109   2HD2  LEU  12          2HD2      LEU  12   9.120   3.788  -2.782
  110   3HD2  LEU  12          3HD2      LEU  12   8.015   4.819  -3.694
  111    H    PHE  13           H        PHE  13   8.225   0.575   0.197
  112    HA   PHE  13           HA       PHE  13  10.323  -1.360   0.428
  113   1HB   PHE  13          2HB       PHE  13  11.173   1.065  -0.604
  114   2HB   PHE  13          1HB       PHE  13  11.545   1.225   1.113
  115    HD1  PHE  13           HD1      PHE  13  11.465  -1.877  -0.954
  116    HD2  PHE  13           HD2      PHE  13  13.899   0.938   1.191
  117    HE1  PHE  13           HE1      PHE  13  13.425  -3.358  -1.237
  118    HE2  PHE  13           HE2      PHE  13  15.866  -0.545   0.905
  119    HZ   PHE  13           HZ       PHE  13  15.630  -2.696  -0.309
  120   1HN   NH2  14          1HN       NH2  14   9.064  -2.011   2.308
  121   2HN   NH2  14          2HN       NH2  14   8.985  -1.070   3.718
  Start of MODEL    7
    1   1H    ILE   1          1H        ILE   1 -10.436  -3.978   5.364
    2   2H    ILE   1          2H        ILE   1 -10.919  -2.354   5.230
    3   3H    ILE   1          3H        ILE   1  -9.414  -2.742   5.915
    4    HA   ILE   1           HA       ILE   1 -10.053  -3.488   3.122
    5    HB   ILE   1           HB       ILE   1 -10.486  -1.046   3.641
    6   1HG1  ILE   1          2HG1      ILE   1  -8.689  -0.283   1.863
    7   2HG1  ILE   1          1HG1      ILE   1  -8.364  -2.012   1.746
    8   1HG2  ILE   1          1HG2      ILE   1  -7.627  -0.426   3.781
    9   2HG2  ILE   1          2HG2      ILE   1  -8.197  -1.324   5.188
   10   3HG2  ILE   1          3HG2      ILE   1  -8.959   0.204   4.749
   11   1HD1  ILE   1          1HD1      ILE   1 -10.270  -0.787   0.277
   12   2HD1  ILE   1          2HD1      ILE   1 -11.224  -1.207   1.699
   13   3HD1  ILE   1          3HD1      ILE   1 -10.395  -2.470   0.789
   14    H    LEU   2           H        LEU   2  -8.194  -4.303   2.113
   15    HA   LEU   2           HA       LEU   2  -6.073  -5.358   3.701
   16   1HB   LEU   2          2HB       LEU   2  -6.858  -5.100   0.876
   17   2HB   LEU   2          1HB       LEU   2  -5.113  -5.206   1.114
   18    HG   LEU   2           HG       LEU   2  -6.908  -7.105   2.591
   19   1HD1  LEU   2          1HD1      LEU   2  -5.885  -8.212   0.106
   20   2HD1  LEU   2          2HD1      LEU   2  -6.981  -6.865  -0.203
   21   3HD1  LEU   2          3HD1      LEU   2  -7.527  -8.248   0.748
   22   1HD2  LEU   2          1HD2      LEU   2  -4.053  -6.896   1.734
   23   2HD2  LEU   2          2HD2      LEU   2  -4.753  -8.511   1.850
   24   3HD2  LEU   2          3HD2      LEU   2  -4.727  -7.458   3.264
   25    H    GLY   3           H        GLY   3  -6.497  -2.234   2.182
   26   1HA   GLY   3          2HA       GLY   3  -5.056  -0.430   3.221
   27   2HA   GLY   3          1HA       GLY   3  -3.699  -1.526   2.969
   28    H    LYS   4           H        LYS   4  -6.037   0.542   1.339
   29    HA   LYS   4           HA       LYS   4  -5.094   0.065  -1.347
   30   1HB   LYS   4          2HB       LYS   4  -6.959   1.765   0.113
   31   2HB   LYS   4          1HB       LYS   4  -6.154   2.654  -1.181
   32   1HG   LYS   4          2HG       LYS   4  -7.577  -0.006  -1.505
   33   2HG   LYS   4          1HG       LYS   4  -8.218   1.562  -1.997
   34   1HD   LYS   4          2HD       LYS   4  -5.927   1.734  -3.307
   35   2HD   LYS   4          1HD       LYS   4  -5.975  -0.026  -3.191
   36   1HE   LYS   4          2HE       LYS   4  -8.056   1.786  -4.459
   37   2HE   LYS   4          1HE       LYS   4  -7.092   0.522  -5.250
   38   1HZ   LYS   4          1HZ       LYS   4  -8.122  -0.900  -3.301
   39   2HZ   LYS   4          2HZ       LYS   4  -8.945  -0.686  -4.772
   40   3HZ   LYS   4          3HZ       LYS   4  -9.360   0.254  -3.420
   41    H    ILE   5           H        ILE   5  -4.512   2.731   0.950
   42    HA   ILE   5           HA       ILE   5  -2.494   4.031  -0.640
   43    HB   ILE   5           HB       ILE   5  -3.323   4.035   2.269
   44   1HG1  ILE   5          2HG1      ILE   5  -4.766   5.039   0.421
   45   2HG1  ILE   5          1HG1      ILE   5  -4.321   6.147   1.719
   46   1HG2  ILE   5          1HG2      ILE   5  -1.882   6.203   2.293
   47   2HG2  ILE   5          2HG2      ILE   5  -1.056   5.486   0.910
   48   3HG2  ILE   5          3HG2      ILE   5  -1.057   4.653   2.464
   49   1HD1  ILE   5          1HD1      ILE   5  -4.011   6.795  -0.864
   50   2HD1  ILE   5          2HD1      ILE   5  -2.471   5.971  -0.614
   51   3HD1  ILE   5          3HD1      ILE   5  -2.897   7.364   0.380
   52    H    TRP   6           H        TRP   6  -2.458   1.396   1.681
   53    HA   TRP   6           HA       TRP   6   0.418   1.396   2.124
   54   1HB   TRP   6          2HB       TRP   6  -1.058   0.449   3.766
   55   2HB   TRP   6          1HB       TRP   6  -1.850  -0.564   2.559
   56    HD1  TRP   6           HD1      TRP   6  -0.840  -2.878   2.087
   57    HE1  TRP   6           HE1      TRP   6   1.239  -4.152   2.924
   58    HE3  TRP   6           HE3      TRP   6   1.544   0.875   4.599
   59    HZ2  TRP   6           HZ2      TRP   6   3.601  -3.647   4.457
   60    HZ3  TRP   6           HZ3      TRP   6   3.704   0.452   5.738
   61    HH2  TRP   6           HH2      TRP   6   4.735  -1.802   5.670
   62    H    GLU   7           H        GLU   7  -1.748   0.050  -0.277
   63    HA   GLU   7           HA       GLU   7  -0.230  -2.092  -1.310
   64   1HB   GLU   7          2HB       GLU   7  -2.472  -0.473  -1.998
   65   2HB   GLU   7          1HB       GLU   7  -1.433  -0.557  -3.421
   66   1HG   GLU   7          2HG       GLU   7  -2.728  -2.478  -3.683
   67   2HG   GLU   7          1HG       GLU   7  -1.320  -3.119  -2.835
   68    H    GLY   8           H        GLY   8  -0.010   1.384  -2.024
   69   1HA   GLY   8          2HA       GLY   8   2.168   1.020  -3.932
   70   2HA   GLY   8          1HA       GLY   8   1.576   2.566  -3.323
   71    H    ILE   9           H        ILE   9   1.858   1.660  -0.499
   72    HA   ILE   9           HA       ILE   9   4.551   2.583  -0.033
   73    HB   ILE   9           HB       ILE   9   2.458   1.220   1.690
   74   1HG1  ILE   9          2HG1      ILE   9   3.280   4.111   1.277
   75   2HG1  ILE   9          1HG1      ILE   9   1.737   3.378   0.834
   76   1HG2  ILE   9          1HG2      ILE   9   3.779   1.514   3.555
   77   2HG2  ILE   9          2HG2      ILE   9   4.630   2.895   2.862
   78   3HG2  ILE   9          3HG2      ILE   9   5.055   1.257   2.362
   79   1HD1  ILE   9          1HD1      ILE   9   0.960   3.926   2.874
   80   2HD1  ILE   9          2HD1      ILE   9   2.557   4.476   3.381
   81   3HD1  ILE   9          3HD1      ILE   9   2.109   2.781   3.566
   82    H    LYS  10           H        LYS  10   3.023  -0.637   0.377
   83    HA   LYS  10           HA       LYS  10   5.424  -2.012   1.130
   84   1HB   LYS  10          2HB       LYS  10   4.062  -3.991   0.703
   85   2HB   LYS  10          1HB       LYS  10   3.044  -2.752   1.438
   86   1HG   LYS  10          2HG       LYS  10   1.654  -2.996  -0.320
   87   2HG   LYS  10          1HG       LYS  10   2.900  -2.232  -1.306
   88   1HD   LYS  10          2HD       LYS  10   3.732  -4.274  -2.079
   89   2HD   LYS  10          1HD       LYS  10   3.076  -5.171  -0.709
   90   1HE   LYS  10          2HE       LYS  10   0.929  -3.879  -2.172
   91   2HE   LYS  10          1HE       LYS  10   1.891  -4.911  -3.250
   92   1HZ   LYS  10          1HZ       LYS  10   0.046  -5.975  -1.786
   93   2HZ   LYS  10          2HZ       LYS  10   1.207  -5.863  -0.551
   94   3HZ   LYS  10          3HZ       LYS  10   1.539  -6.762  -1.954
   95    H    SER  11           H        SER  11   4.160  -0.996  -1.968
   96    HA   SER  11           HA       SER  11   5.816  -2.828  -3.548
   97   1HB   SER  11          2HB       SER  11   3.607  -1.953  -4.266
   98   2HB   SER  11          1HB       SER  11   4.262  -0.318  -4.259
   99    HG   SER  11           HG       SER  11   4.244  -1.542  -6.329
  100    H    LEU  12           H        LEU  12   6.195   0.300  -2.077
  101    HA   LEU  12           HA       LEU  12   8.353   1.210  -3.831
  102   1HB   LEU  12          2HB       LEU  12   6.860   2.094  -1.421
  103   2HB   LEU  12          1HB       LEU  12   8.499   2.726  -1.577
  104    HG   LEU  12           HG       LEU  12   6.743   2.773  -3.996
  105   1HD1  LEU  12          1HD1      LEU  12   5.176   4.069  -3.030
  106   2HD1  LEU  12          2HD1      LEU  12   6.428   5.258  -2.674
  107   3HD1  LEU  12          3HD1      LEU  12   6.033   4.012  -1.490
  108   1HD2  LEU  12          1HD2      LEU  12   9.235   3.513  -3.742
  109   2HD2  LEU  12          2HD2      LEU  12   8.563   4.934  -2.944
  110   3HD2  LEU  12          3HD2      LEU  12   8.128   4.572  -4.615
  111    H    PHE  13           H        PHE  13   8.077  -0.669  -0.884
  112    HA   PHE  13           HA       PHE  13  10.814  -0.369   0.011
  113   1HB   PHE  13          2HB       PHE  13   8.397  -1.520   0.864
  114   2HB   PHE  13          1HB       PHE  13   9.512  -2.878   0.707
  115    HD1  PHE  13           HD1      PHE  13  10.356   0.652   1.517
  116    HD2  PHE  13           HD2      PHE  13  10.018  -3.370   2.981
  117    HE1  PHE  13           HE1      PHE  13  11.471   1.326   3.620
  118    HE2  PHE  13           HE2      PHE  13  11.134  -2.696   5.091
  119    HZ   PHE  13           HZ       PHE  13  11.862  -0.346   5.411
  120   1HN   NH2  14          1HN       NH2  14  12.352  -0.920  -1.647
  121   2HN   NH2  14          2HN       NH2  14  12.436  -2.455  -2.366
  Start of MODEL    8
    1   1H    ILE   1          1H        ILE   1 -10.229  -3.831  -1.545
    2   2H    ILE   1          2H        ILE   1  -9.826  -5.473  -1.380
    3   3H    ILE   1          3H        ILE   1  -8.717  -4.390  -2.074
    4    HA   ILE   1           HA       ILE   1  -9.342  -4.858   0.737
    5    HB   ILE   1           HB       ILE   1  -6.929  -4.501   0.840
    6   1HG1  ILE   1          2HG1      ILE   1  -6.356  -4.104  -1.953
    7   2HG1  ILE   1          1HG1      ILE   1  -7.448  -2.834  -1.402
    8   1HG2  ILE   1          1HG2      ILE   1  -6.254  -6.353  -0.446
    9   2HG2  ILE   1          2HG2      ILE   1  -7.378  -5.973  -1.751
   10   3HG2  ILE   1          3HG2      ILE   1  -7.983  -6.627  -0.229
   11   1HD1  ILE   1          1HD1      ILE   1  -4.910  -3.624   0.052
   12   2HD1  ILE   1          2HD1      ILE   1  -5.953  -2.248   0.412
   13   3HD1  ILE   1          3HD1      ILE   1  -5.017  -2.277  -1.083
   14    H    LEU   2           H        LEU   2  -9.177  -3.161   2.298
   15    HA   LEU   2           HA       LEU   2 -10.001  -0.508   1.326
   16   1HB   LEU   2          2HB       LEU   2 -10.329  -2.132   3.620
   17   2HB   LEU   2          1HB       LEU   2  -9.448  -0.701   4.158
   18    HG   LEU   2           HG       LEU   2 -11.485   0.161   2.354
   19   1HD1  LEU   2          1HD1      LEU   2 -12.237  -2.126   4.031
   20   2HD1  LEU   2          2HD1      LEU   2 -13.098  -1.396   2.677
   21   3HD1  LEU   2          3HD1      LEU   2 -13.255  -0.711   4.294
   22   1HD2  LEU   2          1HD2      LEU   2 -11.833   1.700   4.020
   23   2HD2  LEU   2          2HD2      LEU   2 -10.305   1.055   4.620
   24   3HD2  LEU   2          3HD2      LEU   2 -11.831   0.479   5.290
   25    H    GLY   3           H        GLY   3  -7.075  -2.075   2.364
   26   1HA   GLY   3          2HA       GLY   3  -5.701   0.412   3.078
   27   2HA   GLY   3          1HA       GLY   3  -4.962  -1.182   2.964
   28    H    LYS   4           H        LYS   4  -6.672   0.938   0.656
   29    HA   LYS   4           HA       LYS   4  -5.128   0.115  -1.612
   30   1HB   LYS   4          2HB       LYS   4  -7.232   1.956  -0.908
   31   2HB   LYS   4          1HB       LYS   4  -6.067   2.778  -1.948
   32   1HG   LYS   4          2HG       LYS   4  -6.283   1.101  -3.656
   33   2HG   LYS   4          1HG       LYS   4  -7.216   0.052  -2.589
   34   1HD   LYS   4          2HD       LYS   4  -9.002   1.786  -2.494
   35   2HD   LYS   4          1HD       LYS   4  -8.083   2.759  -3.644
   36   1HE   LYS   4          2HE       LYS   4  -9.601   1.580  -5.029
   37   2HE   LYS   4          1HE       LYS   4  -8.131   0.590  -5.125
   38   1HZ   LYS   4          1HZ       LYS   4 -10.080  -0.756  -4.562
   39   2HZ   LYS   4          2HZ       LYS   4 -10.342   0.193  -3.178
   40   3HZ   LYS   4          3HZ       LYS   4  -8.942  -0.760  -3.305
   41    H    ILE   5           H        ILE   5  -4.732   2.715   0.748
   42    HA   ILE   5           HA       ILE   5  -2.493   3.986  -0.598
   43    HB   ILE   5           HB       ILE   5  -3.740   4.047   2.154
   44   1HG1  ILE   5          2HG1      ILE   5  -4.837   5.083   0.085
   45   2HG1  ILE   5          1HG1      ILE   5  -4.595   6.163   1.456
   46   1HG2  ILE   5          1HG2      ILE   5  -1.574   4.637   2.761
   47   2HG2  ILE   5          2HG2      ILE   5  -2.218   6.208   2.288
   48   3HG2  ILE   5          3HG2      ILE   5  -1.199   5.301   1.171
   49   1HD1  ILE   5          1HD1      ILE   5  -2.705   5.920  -0.904
   50   2HD1  ILE   5          2HD1      ILE   5  -2.561   7.059   0.436
   51   3HD1  ILE   5          3HD1      ILE   5  -3.901   7.202  -0.702
   52    H    TRP   6           H        TRP   6  -2.887   1.402   1.759
   53    HA   TRP   6           HA       TRP   6  -0.097   1.303   2.578
   54   1HB   TRP   6          2HB       TRP   6  -1.747   0.459   4.068
   55   2HB   TRP   6          1HB       TRP   6  -2.527  -0.480   2.797
   56    HD1  TRP   6           HD1      TRP   6  -1.992  -2.949   2.886
   57    HE1  TRP   6           HE1      TRP   6  -0.030  -4.395   3.727
   58    HE3  TRP   6           HE3      TRP   6   1.185   0.718   4.479
   59    HZ2  TRP   6           HZ2      TRP   6   2.547  -4.042   4.918
   60    HZ3  TRP   6           HZ3      TRP   6   3.384   0.136   5.461
   61    HH2  TRP   6           HH2      TRP   6   4.069  -2.237   5.683
   62    H    GLU   7           H        GLU   7  -2.014  -0.113  -0.004
   63    HA   GLU   7           HA       GLU   7  -0.247  -2.253  -0.734
   64   1HB   GLU   7          2HB       GLU   7  -2.686  -1.083  -1.551
   65   2HB   GLU   7          1HB       GLU   7  -1.634  -1.034  -2.967
   66   1HG   GLU   7          2HG       GLU   7  -1.352  -3.571  -1.609
   67   2HG   GLU   7          1HG       GLU   7  -3.049  -3.266  -1.980
   68    H    GLY   8           H        GLY   8  -0.199   1.201  -1.352
   69   1HA   GLY   8          2HA       GLY   8   1.804   1.000  -3.481
   70   2HA   GLY   8          1HA       GLY   8   1.215   2.494  -2.752
   71    H    ILE   9           H        ILE   9   1.745   1.622  -0.011
   72    HA   ILE   9           HA       ILE   9   4.471   2.522   0.243
   73    HB   ILE   9           HB       ILE   9   2.661   1.069   2.202
   74   1HG1  ILE   9          2HG1      ILE   9   2.952   4.014   1.525
   75   2HG1  ILE   9          1HG1      ILE   9   1.522   3.014   1.272
   76   1HG2  ILE   9          1HG2      ILE   9   4.029   1.941   3.918
   77   2HG2  ILE   9          2HG2      ILE   9   4.785   3.114   2.839
   78   3HG2  ILE   9          3HG2      ILE   9   5.185   1.402   2.699
   79   1HD1  ILE   9          1HD1      ILE   9   0.875   3.198   3.435
   80   2HD1  ILE   9          2HD1      ILE   9   2.010   4.545   3.520
   81   3HD1  ILE   9          3HD1      ILE   9   2.513   2.935   4.034
   82    H    LYS  10           H        LYS  10   3.017  -0.672   1.006
   83    HA   LYS  10           HA       LYS  10   5.422  -2.071   1.508
   84   1HB   LYS  10          2HB       LYS  10   3.987  -4.058   0.861
   85   2HB   LYS  10          1HB       LYS  10   3.232  -2.966   2.023
   86   1HG   LYS  10          2HG       LYS  10   1.534  -2.564   0.604
   87   2HG   LYS  10          1HG       LYS  10   2.665  -2.059  -0.653
   88   1HD   LYS  10          2HD       LYS  10   2.024  -4.956  -0.033
   89   2HD   LYS  10          1HD       LYS  10   1.230  -4.025  -1.304
   90   1HE   LYS  10          2HE       LYS  10   3.425  -3.617  -2.381
   91   2HE   LYS  10          1HE       LYS  10   4.214  -4.581  -1.115
   92   1HZ   LYS  10          1HZ       LYS  10   2.547  -6.366  -1.697
   93   2HZ   LYS  10          2HZ       LYS  10   3.760  -6.083  -2.853
   94   3HZ   LYS  10          3HZ       LYS  10   2.193  -5.470  -3.092
   95    H    SER  11           H        SER  11   3.998  -1.053  -1.526
   96    HA   SER  11           HA       SER  11   5.466  -2.873  -3.241
   97   1HB   SER  11          2HB       SER  11   3.558  -1.945  -4.208
   98   2HB   SER  11          1HB       SER  11   3.846  -0.361  -3.491
   99    HG   SER  11           HG       SER  11   4.282  -0.587  -5.812
  100    H    LEU  12           H        LEU  12   6.206   0.176  -1.690
  101    HA   LEU  12           HA       LEU  12   8.528   0.721  -3.426
  102   1HB   LEU  12          2HB       LEU  12   6.882   2.054  -1.409
  103   2HB   LEU  12          1HB       LEU  12   8.601   2.384  -1.192
  104    HG   LEU  12           HG       LEU  12   7.942   2.502  -3.996
  105   1HD1  LEU  12          1HD1      LEU  12   6.469   4.523  -3.868
  106   2HD1  LEU  12          2HD1      LEU  12   6.285   4.235  -2.138
  107   3HD1  LEU  12          3HD1      LEU  12   5.675   3.056  -3.298
  108   1HD2  LEU  12          1HD2      LEU  12   8.728   4.704  -2.063
  109   2HD2  LEU  12          2HD2      LEU  12   8.993   4.679  -3.806
  110   3HD2  LEU  12          3HD2      LEU  12   9.872   3.560  -2.765
  111    H    PHE  13           H        PHE  13   7.853  -0.618  -0.233
  112    HA   PHE  13           HA       PHE  13  10.298  -2.065  -0.045
  113   1HB   PHE  13          2HB       PHE  13  10.637   0.687   0.226
  114   2HB   PHE  13          1HB       PHE  13  10.614   0.109   1.892
  115    HD1  PHE  13           HD1      PHE  13  11.766  -1.701  -1.153
  116    HD2  PHE  13           HD2      PHE  13  12.901   0.200   2.526
  117    HE1  PHE  13           HE1      PHE  13  14.069  -2.564  -1.419
  118    HE2  PHE  13           HE2      PHE  13  15.211  -0.664   2.259
  119    HZ   PHE  13           HZ       PHE  13  15.797  -2.047   0.285
  120   1HN   NH2  14          1HN       NH2  14   9.529  -3.700   1.322
  121   2HN   NH2  14          2HN       NH2  14   8.610  -3.451   2.728
  Start of MODEL    9
    1   1H    ILE   1          1H        ILE   1 -10.103   1.051  -0.792
    2   2H    ILE   1          2H        ILE   1  -8.651   0.862   0.068
    3   3H    ILE   1          3H        ILE   1 -10.008   1.549   0.826
    4    HA   ILE   1           HA       ILE   1 -11.184  -0.520   0.792
    5    HB   ILE   1           HB       ILE   1 -10.096  -2.451  -0.351
    6   1HG1  ILE   1          2HG1      ILE   1  -8.200  -0.821  -1.862
    7   2HG1  ILE   1          1HG1      ILE   1  -7.811  -0.865  -0.142
    8   1HG2  ILE   1          1HG2      ILE   1 -10.953  -1.850  -2.386
    9   2HG2  ILE   1          2HG2      ILE   1 -10.036  -0.344  -2.442
   10   3HG2  ILE   1          3HG2      ILE   1 -11.515  -0.443  -1.485
   11   1HD1  ILE   1          1HD1      ILE   1  -8.599  -3.480  -1.221
   12   2HD1  ILE   1          2HD1      ILE   1  -7.212  -3.049  -0.220
   13   3HD1  ILE   1          3HD1      ILE   1  -7.141  -2.825  -1.968
   14    H    LEU   2           H        LEU   2  -9.504  -2.872   1.355
   15    HA   LEU   2           HA       LEU   2  -9.000  -2.672   4.067
   16   1HB   LEU   2          2HB       LEU   2  -8.922  -4.733   2.724
   17   2HB   LEU   2          1HB       LEU   2  -7.427  -4.188   1.962
   18    HG   LEU   2           HG       LEU   2  -6.481  -4.024   4.356
   19   1HD1  LEU   2          1HD1      LEU   2  -8.286  -4.229   5.803
   20   2HD1  LEU   2          2HD1      LEU   2  -7.721  -5.898   5.759
   21   3HD1  LEU   2          3HD1      LEU   2  -9.105  -5.409   4.781
   22   1HD2  LEU   2          1HD2      LEU   2  -5.484  -5.769   3.253
   23   2HD2  LEU   2          2HD2      LEU   2  -7.022  -6.434   2.704
   24   3HD2  LEU   2          3HD2      LEU   2  -6.468  -6.736   4.350
   25    H    GLY   3           H        GLY   3  -6.981  -1.466   1.448
   26   1HA   GLY   3          2HA       GLY   3  -5.560   0.383   3.037
   27   2HA   GLY   3          1HA       GLY   3  -4.582  -1.081   2.973
   28    H    LYS   4           H        LYS   4  -6.084   1.421   0.976
   29    HA   LYS   4           HA       LYS   4  -4.831   0.529  -1.496
   30   1HB   LYS   4          2HB       LYS   4  -6.523   2.740  -0.481
   31   2HB   LYS   4          1HB       LYS   4  -5.511   3.150  -1.867
   32   1HG   LYS   4          2HG       LYS   4  -6.897   0.543  -2.056
   33   2HG   LYS   4          1HG       LYS   4  -7.952   1.955  -2.079
   34   1HD   LYS   4          2HD       LYS   4  -5.677   2.491  -3.741
   35   2HD   LYS   4          1HD       LYS   4  -6.363   0.934  -4.208
   36   1HE   LYS   4          2HE       LYS   4  -7.788   2.254  -5.446
   37   2HE   LYS   4          1HE       LYS   4  -8.642   2.418  -3.898
   38   1HZ   LYS   4          1HZ       LYS   4  -7.825   4.536  -5.147
   39   2HZ   LYS   4          2HZ       LYS   4  -6.325   4.139  -4.454
   40   3HZ   LYS   4          3HZ       LYS   4  -7.672   4.436  -3.461
   41    H    ILE   5           H        ILE   5  -4.092   2.906   1.019
   42    HA   ILE   5           HA       ILE   5  -1.776   4.022  -0.350
   43    HB   ILE   5           HB       ILE   5  -2.775   4.059   2.516
   44   1HG1  ILE   5          2HG1      ILE   5  -4.254   5.083   0.778
   45   2HG1  ILE   5          1HG1      ILE   5  -3.634   6.266   1.929
   46   1HG2  ILE   5          1HG2      ILE   5  -0.690   4.845   2.962
   47   2HG2  ILE   5          2HG2      ILE   5  -1.251   6.318   2.169
   48   3HG2  ILE   5          3HG2      ILE   5  -0.331   5.121   1.257
   49   1HD1  ILE   5          1HD1      ILE   5  -2.871   5.843  -0.942
   50   2HD1  ILE   5          2HD1      ILE   5  -1.687   6.522   0.173
   51   3HD1  ILE   5          3HD1      ILE   5  -3.222   7.347  -0.093
   52    H    TRP   6           H        TRP   6  -2.381   1.367   1.870
   53    HA   TRP   6           HA       TRP   6   0.430   0.961   2.575
   54   1HB   TRP   6          2HB       TRP   6  -1.215   0.290   4.156
   55   2HB   TRP   6          1HB       TRP   6  -2.177  -0.528   2.926
   56    HD1  TRP   6           HD1      TRP   6  -1.914  -3.045   2.906
   57    HE1  TRP   6           HE1      TRP   6  -0.095  -4.726   3.624
   58    HE3  TRP   6           HE3      TRP   6   1.716   0.195   4.453
   59    HZ2  TRP   6           HZ2      TRP   6   2.552  -4.698   4.712
   60    HZ3  TRP   6           HZ3      TRP   6   3.873  -0.657   5.326
   61    HH2  TRP   6           HH2      TRP   6   4.296  -3.097   5.457
   62    H    GLU   7           H        GLU   7  -1.691  -0.022  -0.010
   63    HA   GLU   7           HA       GLU   7  -0.334  -2.431  -0.813
   64   1HB   GLU   7          2HB       GLU   7  -2.502  -0.742  -1.617
   65   2HB   GLU   7          1HB       GLU   7  -1.492  -1.044  -3.030
   66   1HG   GLU   7          2HG       GLU   7  -1.533  -3.525  -2.252
   67   2HG   GLU   7          1HG       GLU   7  -2.923  -3.036  -1.283
   68    H    GLY   8           H        GLY   8   0.226   0.992  -1.444
   69   1HA   GLY   8          2HA       GLY   8   2.236   0.431  -3.515
   70   2HA   GLY   8          1HA       GLY   8   1.802   2.027  -2.900
   71    H    ILE   9           H        ILE   9   2.134   1.274  -0.093
   72    HA   ILE   9           HA       ILE   9   4.845   1.985   0.330
   73    HB   ILE   9           HB       ILE   9   2.770   0.541   2.001
   74   1HG1  ILE   9          2HG1      ILE   9   3.776   3.397   1.842
   75   2HG1  ILE   9          1HG1      ILE   9   2.157   2.813   1.455
   76   1HG2  ILE   9          1HG2      ILE   9   4.792   1.876   3.560
   77   2HG2  ILE   9          2HG2      ILE   9   5.557   0.699   2.491
   78   3HG2  ILE   9          3HG2      ILE   9   4.298   0.184   3.614
   79   1HD1  ILE   9          1HD1      ILE   9   1.652   3.395   3.591
   80   2HD1  ILE   9          2HD1      ILE   9   3.348   3.434   4.076
   81   3HD1  ILE   9          3HD1      ILE   9   2.480   1.899   4.026
   82    H    LYS  10           H        LYS  10   3.469  -1.221   1.148
   83    HA   LYS  10           HA       LYS  10   5.944  -2.593   1.325
   84   1HB   LYS  10          2HB       LYS  10   4.536  -4.569   1.260
   85   2HB   LYS  10          1HB       LYS  10   3.645  -3.302   2.103
   86   1HG   LYS  10          2HG       LYS  10   1.973  -3.639   0.630
   87   2HG   LYS  10          1HG       LYS  10   3.016  -2.911  -0.592
   88   1HD   LYS  10          2HD       LYS  10   4.001  -5.477  -0.455
   89   2HD   LYS  10          1HD       LYS  10   2.274  -5.732  -0.202
   90   1HE   LYS  10          2HE       LYS  10   1.865  -4.265  -2.245
   91   2HE   LYS  10          1HE       LYS  10   3.610  -4.363  -2.557
   92   1HZ   LYS  10          1HZ       LYS  10   2.328  -6.157  -3.654
   93   2HZ   LYS  10          2HZ       LYS  10   1.848  -6.717  -2.123
   94   3HZ   LYS  10          3HZ       LYS  10   3.489  -6.742  -2.564
   95    H    SER  11           H        SER  11   4.115  -1.590  -1.467
   96    HA   SER  11           HA       SER  11   5.434  -3.470  -3.308
   97   1HB   SER  11          2HB       SER  11   3.304  -2.954  -4.039
   98   2HB   SER  11          1HB       SER  11   3.358  -1.328  -3.363
   99    HG   SER  11           HG       SER  11   4.350  -2.314  -5.795
  100    H    LEU  12           H        LEU  12   6.075  -0.338  -1.983
  101    HA   LEU  12           HA       LEU  12   7.979   0.320  -4.186
  102   1HB   LEU  12          2HB       LEU  12   6.277   1.753  -2.288
  103   2HB   LEU  12          1HB       LEU  12   7.920   2.395  -2.328
  104    HG   LEU  12           HG       LEU  12   7.646   2.267  -4.921
  105   1HD1  LEU  12          1HD1      LEU  12   4.753   2.337  -4.007
  106   2HD1  LEU  12          2HD1      LEU  12   5.524   0.993  -4.851
  107   3HD1  LEU  12          3HD1      LEU  12   5.315   2.544  -5.666
  108   1HD2  LEU  12          1HD2      LEU  12   6.067   4.295  -3.305
  109   2HD2  LEU  12          2HD2      LEU  12   6.706   4.533  -4.932
  110   3HD2  LEU  12          3HD2      LEU  12   7.810   4.353  -3.569
  111    H    PHE  13           H        PHE  13   7.816  -0.357  -0.720
  112    HA   PHE  13           HA       PHE  13  10.694   0.148  -0.332
  113   1HB   PHE  13          2HB       PHE  13   8.328   0.038   1.217
  114   2HB   PHE  13          1HB       PHE  13   9.356  -1.269   1.807
  115    HD1  PHE  13           HD1      PHE  13  10.447   1.935   0.269
  116    HD2  PHE  13           HD2      PHE  13  10.142  -0.376   3.875
  117    HE1  PHE  13           HE1      PHE  13  11.866   3.586   1.445
  118    HE2  PHE  13           HE2      PHE  13  11.564   1.280   5.056
  119    HZ   PHE  13           HZ       PHE  13  12.426   3.262   3.840
  120   1HN   NH2  14          1HN       NH2  14   8.520  -2.737  -0.262
  121   2HN   NH2  14          2HN       NH2  14   9.762  -3.873  -0.479
  Start of MODEL   10
    1   1H    ILE   1          1H        ILE   1 -11.225  -0.237   3.210
    2   2H    ILE   1          2H        ILE   1  -9.595  -0.089   3.667
    3   3H    ILE   1          3H        ILE   1 -10.735  -0.705   4.764
    4    HA   ILE   1           HA       ILE   1 -11.007  -2.701   3.516
    5    HB   ILE   1           HB       ILE   1  -9.677  -2.812   1.328
    6   1HG1  ILE   1          2HG1      ILE   1  -9.702   0.197   1.502
    7   2HG1  ILE   1          1HG1      ILE   1  -8.319  -0.723   2.094
    8   1HG2  ILE   1          1HG2      ILE   1 -12.216  -1.780   1.922
    9   2HG2  ILE   1          2HG2      ILE   1 -11.649  -2.328   0.345
   10   3HG2  ILE   1          3HG2      ILE   1 -11.516  -0.626   0.787
   11   1HD1  ILE   1          1HD1      ILE   1  -8.755  -1.906  -0.340
   12   2HD1  ILE   1          2HD1      ILE   1  -7.594  -0.610  -0.057
   13   3HD1  ILE   1          3HD1      ILE   1  -9.201  -0.233  -0.677
   14    H    LEU   2           H        LEU   2  -8.725  -3.970   2.448
   15    HA   LEU   2           HA       LEU   2  -7.175  -4.543   4.762
   16   1HB   LEU   2          2HB       LEU   2  -7.537  -5.538   2.220
   17   2HB   LEU   2          1HB       LEU   2  -5.881  -4.933   2.140
   18    HG   LEU   2           HG       LEU   2  -5.496  -6.163   4.362
   19   1HD1  LEU   2          1HD1      LEU   2  -8.274  -6.952   3.678
   20   2HD1  LEU   2          2HD1      LEU   2  -7.489  -6.850   5.253
   21   3HD1  LEU   2          3HD1      LEU   2  -7.218  -8.255   4.223
   22   1HD2  LEU   2          1HD2      LEU   2  -4.959  -6.895   1.874
   23   2HD2  LEU   2          2HD2      LEU   2  -6.197  -8.112   2.190
   24   3HD2  LEU   2          3HD2      LEU   2  -4.753  -8.039   3.200
   25    H    GLY   3           H        GLY   3  -6.833  -2.045   2.327
   26   1HA   GLY   3          2HA       GLY   3  -5.388  -0.145   3.453
   27   2HA   GLY   3          1HA       GLY   3  -4.120  -1.364   3.338
   28    H    LYS   4           H        LYS   4  -6.312   0.650   1.438
   29    HA   LYS   4           HA       LYS   4  -5.260  -0.129  -1.145
   30   1HB   LYS   4          2HB       LYS   4  -7.406   1.276  -0.172
   31   2HB   LYS   4          1HB       LYS   4  -6.390   2.579  -0.790
   32   1HG   LYS   4          2HG       LYS   4  -7.143   0.114  -2.385
   33   2HG   LYS   4          1HG       LYS   4  -7.979   1.663  -2.503
   34   1HD   LYS   4          2HD       LYS   4  -4.996   1.575  -2.829
   35   2HD   LYS   4          1HD       LYS   4  -6.029   1.107  -4.180
   36   1HE   LYS   4          2HE       LYS   4  -6.491   3.699  -2.689
   37   2HE   LYS   4          1HE       LYS   4  -5.361   3.600  -4.054
   38   1HZ   LYS   4          1HZ       LYS   4  -7.011   3.182  -5.519
   39   2HZ   LYS   4          2HZ       LYS   4  -7.972   3.989  -4.373
   40   3HZ   LYS   4          3HZ       LYS   4  -7.934   2.291  -4.410
   41    H    ILE   5           H        ILE   5  -4.604   2.546   1.096
   42    HA   ILE   5           HA       ILE   5  -2.611   3.815  -0.591
   43    HB   ILE   5           HB       ILE   5  -3.363   3.941   2.343
   44   1HG1  ILE   5          2HG1      ILE   5  -4.959   4.773   0.549
   45   2HG1  ILE   5          1HG1      ILE   5  -4.468   5.989   1.728
   46   1HG2  ILE   5          1HG2      ILE   5  -2.012   6.102   2.290
   47   2HG2  ILE   5          2HG2      ILE   5  -1.317   5.528   0.775
   48   3HG2  ILE   5          3HG2      ILE   5  -1.064   4.615   2.262
   49   1HD1  ILE   5          1HD1      ILE   5  -4.382   6.766  -0.679
   50   2HD1  ILE   5          2HD1      ILE   5  -3.081   5.603  -0.936
   51   3HD1  ILE   5          3HD1      ILE   5  -2.863   6.934   0.201
   52    H    TRP   6           H        TRP   6  -2.612   1.229   1.770
   53    HA   TRP   6           HA       TRP   6   0.261   1.238   2.259
   54   1HB   TRP   6          2HB       TRP   6  -1.152   0.323   3.933
   55   2HB   TRP   6          1HB       TRP   6  -2.068  -0.622   2.760
   56    HD1  TRP   6           HD1      TRP   6  -1.415  -3.064   2.590
   57    HE1  TRP   6           HE1      TRP   6   0.652  -4.475   3.212
   58    HE3  TRP   6           HE3      TRP   6   1.726   0.631   4.186
   59    HZ2  TRP   6           HZ2      TRP   6   3.290  -4.086   4.250
   60    HZ3  TRP   6           HZ3      TRP   6   4.007   0.085   4.985
   61    HH2  TRP   6           HH2      TRP   6   4.793  -2.267   5.020
   62    H    GLU   7           H        GLU   7  -1.889  -0.193  -0.120
   63    HA   GLU   7           HA       GLU   7  -0.279  -2.332  -1.069
   64   1HB   GLU   7          2HB       GLU   7  -2.629  -0.874  -1.777
   65   2HB   GLU   7          1HB       GLU   7  -1.623  -0.994  -3.221
   66   1HG   GLU   7          2HG       GLU   7  -1.414  -3.451  -2.821
   67   2HG   GLU   7          1HG       GLU   7  -2.530  -3.293  -1.464
   68    H    GLY   8           H        GLY   8  -0.154   1.139  -1.739
   69   1HA   GLY   8          2HA       GLY   8   1.905   0.825  -3.801
   70   2HA   GLY   8          1HA       GLY   8   1.297   2.356  -3.170
   71    H    ILE   9           H        ILE   9   1.746   1.496  -0.361
   72    HA   ILE   9           HA       ILE   9   4.427   2.499  -0.031
   73    HB   ILE   9           HB       ILE   9   2.432   1.097   1.769
   74   1HG1  ILE   9          2HG1      ILE   9   3.258   3.981   1.331
   75   2HG1  ILE   9          1HG1      ILE   9   1.670   3.266   1.047
   76   1HG2  ILE   9          1HG2      ILE   9   3.805   1.705   3.654
   77   2HG2  ILE   9          2HG2      ILE   9   4.929   2.587   2.620
   78   3HG2  ILE   9          3HG2      ILE   9   4.835   0.829   2.523
   79   1HD1  ILE   9          1HD1      ILE   9   1.303   4.216   3.124
   80   2HD1  ILE   9          2HD1      ILE   9   2.979   4.011   3.631
   81   3HD1  ILE   9          3HD1      ILE   9   1.885   2.627   3.621
   82    H    LYS  10           H        LYS  10   3.136  -0.716   0.903
   83    HA   LYS  10           HA       LYS  10   5.611  -1.998   1.333
   84   1HB   LYS  10          2HB       LYS  10   4.277  -4.054   1.001
   85   2HB   LYS  10          1HB       LYS  10   3.362  -2.858   1.922
   86   1HG   LYS  10          2HG       LYS  10   1.731  -3.234   0.385
   87   2HG   LYS  10          1HG       LYS  10   2.700  -2.188  -0.654
   88   1HD   LYS  10          2HD       LYS  10   2.778  -3.949  -2.074
   89   2HD   LYS  10          1HD       LYS  10   3.938  -4.643  -0.942
   90   1HE   LYS  10          2HE       LYS  10   1.723  -5.429   0.319
   91   2HE   LYS  10          1HE       LYS  10   1.040  -5.297  -1.314
   92   1HZ   LYS  10          1HZ       LYS  10   3.136  -7.066  -0.321
   93   2HZ   LYS  10          2HZ       LYS  10   3.348  -6.438  -1.885
   94   3HZ   LYS  10          3HZ       LYS  10   1.961  -7.345  -1.511
   95    H    SER  11           H        SER  11   4.035  -1.141  -1.668
   96    HA   SER  11           HA       SER  11   5.486  -2.985  -3.377
   97   1HB   SER  11          2HB       SER  11   3.457  -0.953  -3.528
   98   2HB   SER  11          1HB       SER  11   4.668  -0.636  -4.766
   99    HG   SER  11           HG       SER  11   3.080  -2.088  -5.510
  100    H    LEU  12           H        LEU  12   6.151   0.181  -2.018
  101    HA   LEU  12           HA       LEU  12   8.352   0.789  -3.853
  102   1HB   LEU  12          2HB       LEU  12   7.015   1.964  -1.455
  103   2HB   LEU  12          1HB       LEU  12   8.652   2.511  -1.819
  104    HG   LEU  12           HG       LEU  12   6.610   2.389  -4.018
  105   1HD1  LEU  12          1HD1      LEU  12   6.603   5.027  -3.173
  106   2HD1  LEU  12          2HD1      LEU  12   6.542   4.128  -1.657
  107   3HD1  LEU  12          3HD1      LEU  12   5.309   3.862  -2.890
  108   1HD2  LEU  12          1HD2      LEU  12   8.274   4.681  -4.096
  109   2HD2  LEU  12          2HD2      LEU  12   8.376   3.249  -5.122
  110   3HD2  LEU  12          3HD2      LEU  12   9.309   3.332  -3.627
  111    H    PHE  13           H        PHE  13   7.961  -0.740  -0.710
  112    HA   PHE  13           HA       PHE  13  10.927  -0.881  -0.372
  113   1HB   PHE  13          2HB       PHE  13   8.680  -0.451   1.323
  114   2HB   PHE  13          1HB       PHE  13   9.393  -1.995   1.795
  115    HD1  PHE  13           HD1      PHE  13  11.160   0.898   0.278
  116    HD2  PHE  13           HD2      PHE  13  10.470  -1.394   3.843
  117    HE1  PHE  13           HE1      PHE  13  13.005   2.099   1.405
  118    HE2  PHE  13           HE2      PHE  13  12.319  -0.190   4.975
  119    HZ   PHE  13           HZ       PHE  13  13.588   1.559   3.756
  120   1HN   NH2  14          1HN       NH2  14   8.235  -2.808  -1.388
  121   2HN   NH2  14          2HN       NH2  14   8.990  -4.325  -1.283
  Start of MODEL   11
    1   1H    ILE   1          1H        ILE   1 -10.011  -5.367  -0.378
    2   2H    ILE   1          2H        ILE   1  -9.819  -5.438   1.309
    3   3H    ILE   1          3H        ILE   1  -8.598  -6.028   0.286
    4    HA   ILE   1           HA       ILE   1  -7.816  -3.953  -0.244
    5    HB   ILE   1           HB       ILE   1 -10.110  -3.416  -1.129
    6   1HG1  ILE   1          2HG1      ILE   1  -9.778  -0.876   0.004
    7   2HG1  ILE   1          1HG1      ILE   1  -8.164  -1.587   0.036
    8   1HG2  ILE   1          1HG2      ILE   1 -10.741  -2.063   1.457
    9   2HG2  ILE   1          2HG2      ILE   1 -11.002  -3.804   1.363
   10   3HG2  ILE   1          3HG2      ILE   1 -11.833  -2.726   0.242
   11   1HD1  ILE   1          1HD1      ILE   1  -8.131  -1.915  -2.303
   12   2HD1  ILE   1          2HD1      ILE   1  -8.875  -0.327  -2.112
   13   3HD1  ILE   1          3HD1      ILE   1  -9.881  -1.739  -2.439
   14    H    LEU   2           H        LEU   2  -7.342  -5.220   2.145
   15    HA   LEU   2           HA       LEU   2  -8.096  -3.784   4.513
   16   1HB   LEU   2          2HB       LEU   2  -7.128  -6.117   4.273
   17   2HB   LEU   2          1HB       LEU   2  -5.563  -5.361   3.974
   18    HG   LEU   2           HG       LEU   2  -7.004  -4.373   6.363
   19   1HD1  LEU   2          1HD1      LEU   2  -7.435  -6.415   7.225
   20   2HD1  LEU   2          2HD1      LEU   2  -5.689  -6.645   7.320
   21   3HD1  LEU   2          3HD1      LEU   2  -6.579  -7.221   5.910
   22   1HD2  LEU   2          1HD2      LEU   2  -4.252  -4.848   5.378
   23   2HD2  LEU   2          2HD2      LEU   2  -4.481  -5.105   7.108
   24   3HD2  LEU   2          3HD2      LEU   2  -4.875  -3.544   6.389
   25    H    GLY   3           H        GLY   3  -5.853  -3.056   1.985
   26   1HA   GLY   3          2HA       GLY   3  -5.141  -0.530   3.270
   27   2HA   GLY   3          1HA       GLY   3  -3.785  -1.647   3.128
   28    H    LYS   4           H        LYS   4  -6.187   0.160   1.273
   29    HA   LYS   4           HA       LYS   4  -5.146  -0.553  -1.332
   30   1HB   LYS   4          2HB       LYS   4  -7.436   0.411  -0.612
   31   2HB   LYS   4          1HB       LYS   4  -6.622   1.976  -0.585
   32   1HG   LYS   4          2HG       LYS   4  -5.790   1.175  -2.990
   33   2HG   LYS   4          1HG       LYS   4  -7.269   0.217  -2.912
   34   1HD   LYS   4          2HD       LYS   4  -7.159   3.202  -2.397
   35   2HD   LYS   4          1HD       LYS   4  -7.597   2.483  -3.948
   36   1HE   LYS   4          2HE       LYS   4  -9.054   1.455  -1.557
   37   2HE   LYS   4          1HE       LYS   4  -9.460   3.095  -2.102
   38   1HZ   LYS   4          1HZ       LYS   4  -9.390   1.999  -4.432
   39   2HZ   LYS   4          2HZ       LYS   4 -10.777   1.812  -3.470
   40   3HZ   LYS   4          3HZ       LYS   4  -9.640   0.554  -3.581
   41    H    ILE   5           H        ILE   5  -4.833   2.376   0.676
   42    HA   ILE   5           HA       ILE   5  -2.905   3.680  -1.014
   43    HB   ILE   5           HB       ILE   5  -3.721   3.891   1.894
   44   1HG1  ILE   5          2HG1      ILE   5  -5.333   4.521   0.051
   45   2HG1  ILE   5          1HG1      ILE   5  -4.929   5.847   1.141
   46   1HG2  ILE   5          1HG2      ILE   5  -1.778   5.019   2.208
   47   2HG2  ILE   5          2HG2      ILE   5  -2.519   6.291   1.235
   48   3HG2  ILE   5          3HG2      ILE   5  -1.452   5.108   0.477
   49   1HD1  ILE   5          1HD1      ILE   5  -3.162   6.569  -0.494
   50   2HD1  ILE   5          2HD1      ILE   5  -4.802   6.675  -1.134
   51   3HD1  ILE   5          3HD1      ILE   5  -3.756   5.336  -1.606
   52    H    TRP   6           H        TRP   6  -2.674   1.262   1.515
   53    HA   TRP   6           HA       TRP   6   0.178   1.566   2.001
   54   1HB   TRP   6          2HB       TRP   6  -1.202   0.614   3.701
   55   2HB   TRP   6          1HB       TRP   6  -1.930  -0.526   2.571
   56    HD1  TRP   6           HD1      TRP   6  -0.795  -2.808   2.291
   57    HE1  TRP   6           HE1      TRP   6   1.370  -3.884   3.185
   58    HE3  TRP   6           HE3      TRP   6   1.398   1.275   4.433
   59    HZ2  TRP   6           HZ2      TRP   6   3.721  -3.114   4.621
   60    HZ3  TRP   6           HZ3      TRP   6   3.598   1.076   5.556
   61    HH2  TRP   6           HH2      TRP   6   4.762  -1.111   5.653
   62    H    GLU   7           H        GLU   7  -1.804  -0.219  -0.286
   63    HA   GLU   7           HA       GLU   7  -0.045  -2.255  -1.123
   64   1HB   GLU   7          2HB       GLU   7  -2.488  -1.437  -1.809
   65   2HB   GLU   7          1HB       GLU   7  -1.603  -0.663  -3.125
   66   1HG   GLU   7          2HG       GLU   7  -2.206  -2.824  -3.942
   67   2HG   GLU   7          1HG       GLU   7  -0.494  -2.931  -3.526
   68    H    GLY   8           H        GLY   8  -0.154   1.164  -2.078
   69   1HA   GLY   8          2HA       GLY   8   2.080   0.870  -3.944
   70   2HA   GLY   8          1HA       GLY   8   1.312   2.389  -3.479
   71    H    ILE   9           H        ILE   9   1.645   1.662  -0.571
   72    HA   ILE   9           HA       ILE   9   4.234   2.924  -0.181
   73    HB   ILE   9           HB       ILE   9   2.213   1.602   1.655
   74   1HG1  ILE   9          2HG1      ILE   9   2.804   4.477   0.890
   75   2HG1  ILE   9          1HG1      ILE   9   1.327   3.573   0.561
   76   1HG2  ILE   9          1HG2      ILE   9   4.903   2.304   2.202
   77   2HG2  ILE   9          2HG2      ILE   9   3.653   1.865   3.365
   78   3HG2  ILE   9          3HG2      ILE   9   3.901   3.557   2.934
   79   1HD1  ILE   9          1HD1      ILE   9   0.488   4.114   2.578
   80   2HD1  ILE   9          2HD1      ILE   9   1.890   5.152   2.834
   81   3HD1  ILE   9          3HD1      ILE   9   1.922   3.477   3.384
   82    H    LYS  10           H        LYS  10   2.957  -0.326   0.655
   83    HA   LYS  10           HA       LYS  10   5.423  -1.417   1.584
   84   1HB   LYS  10          2HB       LYS  10   4.237  -3.556   1.256
   85   2HB   LYS  10          1HB       LYS  10   3.149  -2.350   1.942
   86   1HG   LYS  10          2HG       LYS  10   1.871  -2.232   0.052
   87   2HG   LYS  10          1HG       LYS  10   3.256  -2.442  -1.019
   88   1HD   LYS  10          2HD       LYS  10   3.335  -4.864  -0.295
   89   2HD   LYS  10          1HD       LYS  10   1.802  -4.596   0.533
   90   1HE   LYS  10          2HE       LYS  10   1.098  -5.397  -1.570
   91   2HE   LYS  10          1HE       LYS  10   1.034  -3.639  -1.808
   92   1HZ   LYS  10          1HZ       LYS  10   3.205  -5.505  -2.580
   93   2HZ   LYS  10          2HZ       LYS  10   3.440  -3.825  -2.490
   94   3HZ   LYS  10          3HZ       LYS  10   2.314  -4.470  -3.586
   95    H    SER  11           H        SER  11   4.338  -0.671  -1.612
   96    HA   SER  11           HA       SER  11   6.083  -2.602  -2.976
   97   1HB   SER  11          2HB       SER  11   3.933  -0.742  -3.564
   98   2HB   SER  11          1HB       SER  11   5.242  -0.565  -4.729
   99    HG   SER  11           HG       SER  11   3.635  -2.790  -4.135
  100    H    LEU  12           H        LEU  12   6.320   0.649  -1.744
  101    HA   LEU  12           HA       LEU  12   8.618   1.389  -3.426
  102   1HB   LEU  12          2HB       LEU  12   6.647   2.675  -1.919
  103   2HB   LEU  12          1HB       LEU  12   8.132   2.954  -1.008
  104    HG   LEU  12           HG       LEU  12   9.102   3.484  -3.427
  105   1HD1  LEU  12          1HD1      LEU  12   6.633   2.907  -4.242
  106   2HD1  LEU  12          2HD1      LEU  12   7.572   4.182  -5.017
  107   3HD1  LEU  12          3HD1      LEU  12   6.350   4.594  -3.812
  108   1HD2  LEU  12          1HD2      LEU  12   8.496   4.960  -1.242
  109   2HD2  LEU  12          2HD2      LEU  12   7.373   5.674  -2.399
  110   3HD2  LEU  12          3HD2      LEU  12   9.104   5.673  -2.736
  111    H    PHE  13           H        PHE  13   8.039  -0.002  -0.254
  112    HA   PHE  13           HA       PHE  13   9.550  -0.614   1.476
  113   1HB   PHE  13          2HB       PHE  13  10.110  -1.744  -1.048
  114   2HB   PHE  13          1HB       PHE  13  11.680  -1.316  -0.365
  115    HD1  PHE  13           HD1      PHE  13   8.589  -2.247   1.484
  116    HD2  PHE  13           HD2      PHE  13  12.536  -3.443   0.286
  117    HE1  PHE  13           HE1      PHE  13   8.458  -4.196   3.001
  118    HE2  PHE  13           HE2      PHE  13  12.404  -5.399   1.805
  119    HZ   PHE  13           HZ       PHE  13  10.364  -5.776   3.165
  120   1HN   NH2  14          1HN       NH2  14   9.729   2.153   1.282
  121   2HN   NH2  14          2HN       NH2  14  11.348   2.659   1.337
  Start of MODEL   12
    1   1H    ILE   1          1H        ILE   1 -10.605  -0.656   4.767
    2   2H    ILE   1          2H        ILE   1 -12.014  -0.947   3.864
    3   3H    ILE   1          3H        ILE   1 -11.560   0.645   4.247
    4    HA   ILE   1           HA       ILE   1 -11.060  -0.353   1.881
    5    HB   ILE   1           HB       ILE   1 -10.586   1.901   2.971
    6   1HG1  ILE   1          2HG1      ILE   1  -8.606   2.355   1.404
    7   2HG1  ILE   1          1HG1      ILE   1  -8.662   0.638   1.005
    8   1HG2  ILE   1          1HG2      ILE   1  -8.986   0.700   4.652
    9   2HG2  ILE   1          2HG2      ILE   1  -8.538   2.295   4.047
   10   3HG2  ILE   1          3HG2      ILE   1  -7.792   0.851   3.363
   11   1HD1  ILE   1          1HD1      ILE   1 -10.208   2.680  -0.150
   12   2HD1  ILE   1          2HD1      ILE   1 -11.317   1.804   0.907
   13   3HD1  ILE   1          3HD1      ILE   1 -10.433   0.942  -0.353
   14    H    LEU   2           H        LEU   2 -10.031  -2.151   1.107
   15    HA   LEU   2           HA       LEU   2  -8.488  -4.008   2.457
   16   1HB   LEU   2          2HB       LEU   2  -9.360  -4.139   0.122
   17   2HB   LEU   2          1HB       LEU   2  -8.086  -3.031  -0.389
   18    HG   LEU   2           HG       LEU   2  -6.436  -4.712   0.637
   19   1HD1  LEU   2          1HD1      LEU   2  -7.767  -6.128   1.956
   20   2HD1  LEU   2          2HD1      LEU   2  -7.502  -7.094   0.504
   21   3HD1  LEU   2          3HD1      LEU   2  -9.029  -6.241   0.728
   22   1HD2  LEU   2          1HD2      LEU   2  -6.614  -4.498  -1.761
   23   2HD2  LEU   2          2HD2      LEU   2  -8.134  -5.391  -1.781
   24   3HD2  LEU   2          3HD2      LEU   2  -6.629  -6.223  -1.389
   25    H    GLY   3           H        GLY   3  -7.477  -0.845   1.331
   26   1HA   GLY   3          2HA       GLY   3  -5.546   0.152   2.577
   27   2HA   GLY   3          1HA       GLY   3  -4.744  -1.407   2.409
   28    H    LYS   4           H        LYS   4  -6.422   0.809   0.166
   29    HA   LYS   4           HA       LYS   4  -4.759   0.159  -2.081
   30   1HB   LYS   4          2HB       LYS   4  -7.055   1.646  -1.505
   31   2HB   LYS   4          1HB       LYS   4  -5.895   2.852  -2.066
   32   1HG   LYS   4          2HG       LYS   4  -6.938   2.096  -4.050
   33   2HG   LYS   4          1HG       LYS   4  -5.413   1.209  -4.002
   34   1HD   LYS   4          2HD       LYS   4  -6.884  -0.535  -4.416
   35   2HD   LYS   4          1HD       LYS   4  -6.868  -0.553  -2.652
   36   1HE   LYS   4          2HE       LYS   4  -8.908   0.850  -2.612
   37   2HE   LYS   4          1HE       LYS   4  -8.931   0.854  -4.387
   38   1HZ   LYS   4          1HZ       LYS   4  -8.626  -1.738  -3.104
   39   2HZ   LYS   4          2HZ       LYS   4  -9.518  -1.309  -4.485
   40   3HZ   LYS   4          3HZ       LYS   4 -10.150  -1.012  -2.937
   41    H    ILE   5           H        ILE   5  -4.540   2.581   0.472
   42    HA   ILE   5           HA       ILE   5  -2.312   4.033  -0.724
   43    HB   ILE   5           HB       ILE   5  -3.673   3.910   1.973
   44   1HG1  ILE   5          2HG1      ILE   5  -4.749   4.969  -0.101
   45   2HG1  ILE   5          1HG1      ILE   5  -4.630   5.996   1.326
   46   1HG2  ILE   5          1HG2      ILE   5  -1.043   4.945   1.337
   47   2HG2  ILE   5          2HG2      ILE   5  -1.860   4.876   2.898
   48   3HG2  ILE   5          3HG2      ILE   5  -2.118   6.254   1.829
   49   1HD1  ILE   5          1HD1      ILE   5  -2.693   5.986  -1.008
   50   2HD1  ILE   5          2HD1      ILE   5  -2.561   7.006   0.425
   51   3HD1  ILE   5          3HD1      ILE   5  -3.911   7.220  -0.689
   52    H    TRP   6           H        TRP   6  -2.708   1.313   1.471
   53    HA   TRP   6           HA       TRP   6   0.078   1.303   2.371
   54   1HB   TRP   6          2HB       TRP   6  -1.575   0.450   3.853
   55   2HB   TRP   6          1HB       TRP   6  -2.321  -0.523   2.587
   56    HD1  TRP   6           HD1      TRP   6  -1.629  -2.964   2.512
   57    HE1  TRP   6           HE1      TRP   6   0.315  -4.361   3.470
   58    HE3  TRP   6           HE3      TRP   6   1.200   0.756   4.572
   59    HZ2  TRP   6           HZ2      TRP   6   2.748  -3.954   4.919
   60    HZ3  TRP   6           HZ3      TRP   6   3.324   0.224   5.734
   61    HH2  TRP   6           HH2      TRP   6   4.101  -2.125   5.910
   62    H    GLU   7           H        GLU   7  -1.779  -0.139  -0.240
   63    HA   GLU   7           HA       GLU   7  -0.032  -2.296  -0.923
   64   1HB   GLU   7          2HB       GLU   7  -2.401  -1.108  -1.823
   65   2HB   GLU   7          1HB       GLU   7  -1.290  -0.949  -3.185
   66   1HG   GLU   7          2HG       GLU   7  -1.118  -3.222  -3.491
   67   2HG   GLU   7          1HG       GLU   7  -1.344  -3.576  -1.778
   68    H    GLY   8           H        GLY   8   0.099   1.160  -1.597
   69   1HA   GLY   8          2HA       GLY   8   2.299   0.861  -3.522
   70   2HA   GLY   8          1HA       GLY   8   1.614   2.387  -2.959
   71    H    ILE   9           H        ILE   9   1.869   1.612  -0.114
   72    HA   ILE   9           HA       ILE   9   4.458   2.698   0.432
   73    HB   ILE   9           HB       ILE   9   2.458   1.100   2.058
   74   1HG1  ILE   9          2HG1      ILE   9   3.111   4.059   1.857
   75   2HG1  ILE   9          1HG1      ILE   9   1.649   3.269   1.262
   76   1HG2  ILE   9          1HG2      ILE   9   4.717   0.913   3.048
   77   2HG2  ILE   9          2HG2      ILE   9   3.666   1.918   4.046
   78   3HG2  ILE   9          3HG2      ILE   9   4.877   2.668   3.007
   79   1HD1  ILE   9          1HD1      ILE   9   0.771   3.811   3.283
   80   2HD1  ILE   9          2HD1      ILE   9   2.358   4.077   4.003
   81   3HD1  ILE   9          3HD1      ILE   9   1.707   2.442   3.882
   82    H    LYS  10           H        LYS  10   3.299  -0.644   1.061
   83    HA   LYS  10           HA       LYS  10   5.855  -1.755   1.630
   84   1HB   LYS  10          2HB       LYS  10   4.664  -3.894   1.193
   85   2HB   LYS  10          1HB       LYS  10   3.681  -2.790   2.154
   86   1HG   LYS  10          2HG       LYS  10   2.236  -2.322   0.392
   87   2HG   LYS  10          1HG       LYS  10   3.439  -2.723  -0.834
   88   1HD   LYS  10          2HD       LYS  10   2.200  -4.644  -0.991
   89   2HD   LYS  10          1HD       LYS  10   3.218  -5.131   0.365
   90   1HE   LYS  10          2HE       LYS  10   1.504  -4.932   1.895
   91   2HE   LYS  10          1HE       LYS  10   0.744  -3.589   1.020
   92   1HZ   LYS  10          1HZ       LYS  10   0.734  -6.463   0.280
   93   2HZ   LYS  10          2HZ       LYS  10   0.261  -5.229  -0.787
   94   3HZ   LYS  10          3HZ       LYS  10  -0.605  -5.490   0.651
   95    H    SER  11           H        SER  11   4.293  -0.998  -1.413
   96    HA   SER  11           HA       SER  11   6.093  -2.657  -3.033
   97   1HB   SER  11          2HB       SER  11   3.798  -2.214  -3.725
   98   2HB   SER  11          1HB       SER  11   4.072  -0.475  -3.641
   99    HG   SER  11           HG       SER  11   4.242  -1.547  -5.777
  100    H    LEU  12           H        LEU  12   6.224   0.451  -1.570
  101    HA   LEU  12           HA       LEU  12   8.116   1.585  -3.533
  102   1HB   LEU  12          2HB       LEU  12   6.237   2.553  -1.731
  103   2HB   LEU  12          1HB       LEU  12   7.774   2.929  -0.952
  104    HG   LEU  12           HG       LEU  12   8.288   3.629  -3.555
  105   1HD1  LEU  12          1HD1      LEU  12   5.674   4.959  -3.166
  106   2HD1  LEU  12          2HD1      LEU  12   5.586   3.252  -3.605
  107   3HD1  LEU  12          3HD1      LEU  12   6.438   4.390  -4.650
  108   1HD2  LEU  12          1HD2      LEU  12   7.007   5.725  -1.891
  109   2HD2  LEU  12          2HD2      LEU  12   8.608   5.699  -2.628
  110   3HD2  LEU  12          3HD2      LEU  12   8.317   4.833  -1.119
  111    H    PHE  13           H        PHE  13   8.142   0.203  -0.274
  112    HA   PHE  13           HA       PHE  13   9.947  -0.445   1.113
  113   1HB   PHE  13          2HB       PHE  13  10.263  -1.422  -1.423
  114   2HB   PHE  13          1HB       PHE  13  11.781  -0.551  -1.208
  115    HD1  PHE  13           HD1      PHE  13   9.673  -2.272   1.343
  116    HD2  PHE  13           HD2      PHE  13  13.387  -2.242  -0.813
  117    HE1  PHE  13           HE1      PHE  13  10.522  -4.096   2.783
  118    HE2  PHE  13           HE2      PHE  13  14.237  -4.074   0.627
  119    HZ   PHE  13           HZ       PHE  13  12.804  -5.002   2.427
  120   1HN   NH2  14          1HN       NH2  14  10.622   1.387   2.337
  121   2HN   NH2  14          2HN       NH2  14  11.749   2.531   1.789
  Start of MODEL   13
    1   1H    ILE   1          1H        ILE   1 -11.297   3.199   0.961
    2   2H    ILE   1          2H        ILE   1  -9.627   2.894   0.891
    3   3H    ILE   1          3H        ILE   1 -10.448   2.801   2.375
    4    HA   ILE   1           HA       ILE   1 -11.836   0.962   1.277
    5    HB   ILE   1           HB       ILE   1 -10.751  -0.038  -0.654
    6   1HG1  ILE   1          2HG1      ILE   1  -8.727   1.919  -1.220
    7   2HG1  ILE   1          1HG1      ILE   1  -8.464   1.288   0.406
    8   1HG2  ILE   1          1HG2      ILE   1 -11.578   1.505  -2.096
    9   2HG2  ILE   1          2HG2      ILE   1 -10.461   2.750  -1.536
   10   3HG2  ILE   1          3HG2      ILE   1 -11.958   2.445  -0.653
   11   1HD1  ILE   1          1HD1      ILE   1  -8.871  -0.421  -2.066
   12   2HD1  ILE   1          2HD1      ILE   1  -8.514  -1.007  -0.441
   13   3HD1  ILE   1          3HD1      ILE   1  -7.308  -0.075  -1.327
   14    H    LEU   2           H        LEU   2 -10.156  -1.278   0.857
   15    HA   LEU   2           HA       LEU   2  -9.404  -2.102   3.407
   16   1HB   LEU   2          2HB       LEU   2  -9.552  -3.583   1.487
   17   2HB   LEU   2          1HB       LEU   2  -8.220  -2.746   0.689
   18    HG   LEU   2           HG       LEU   2  -7.048  -3.396   3.058
   19   1HD1  LEU   2          1HD1      LEU   2  -7.746  -5.493   3.852
   20   2HD1  LEU   2          2HD1      LEU   2  -8.632  -5.863   2.373
   21   3HD1  LEU   2          3HD1      LEU   2  -9.275  -4.682   3.514
   22   1HD2  LEU   2          1HD2      LEU   2  -7.193  -5.384   0.787
   23   2HD2  LEU   2          2HD2      LEU   2  -5.809  -4.983   1.803
   24   3HD2  LEU   2          3HD2      LEU   2  -6.381  -3.830   0.598
   25    H    GLY   3           H        GLY   3  -6.698  -1.777   1.192
   26   1HA   GLY   3          2HA       GLY   3  -5.430   0.267   2.928
   27   2HA   GLY   3          1HA       GLY   3  -4.612  -1.284   2.769
   28    H    LYS   4           H        LYS   4  -6.204   1.008   0.537
   29    HA   LYS   4           HA       LYS   4  -4.540   0.367  -1.706
   30   1HB   LYS   4          2HB       LYS   4  -6.795   1.852  -1.195
   31   2HB   LYS   4          1HB       LYS   4  -5.602   3.117  -1.493
   32   1HG   LYS   4          2HG       LYS   4  -5.020   2.134  -3.640
   33   2HG   LYS   4          1HG       LYS   4  -6.079   0.757  -3.335
   34   1HD   LYS   4          2HD       LYS   4  -7.602   3.151  -2.967
   35   2HD   LYS   4          1HD       LYS   4  -6.761   3.263  -4.514
   36   1HE   LYS   4          2HE       LYS   4  -8.381   0.841  -3.651
   37   2HE   LYS   4          1HE       LYS   4  -8.997   2.127  -4.707
   38   1HZ   LYS   4          1HZ       LYS   4  -6.402   0.852  -5.279
   39   2HZ   LYS   4          2HZ       LYS   4  -7.457   1.653  -6.343
   40   3HZ   LYS   4          3HZ       LYS   4  -7.836   0.097  -5.775
   41    H    ILE   5           H        ILE   5  -4.218   2.660   0.951
   42    HA   ILE   5           HA       ILE   5  -1.950   4.099  -0.155
   43    HB   ILE   5           HB       ILE   5  -3.256   3.785   2.552
   44   1HG1  ILE   5          2HG1      ILE   5  -4.323   5.083   0.621
   45   2HG1  ILE   5          1HG1      ILE   5  -4.110   5.976   2.126
   46   1HG2  ILE   5          1HG2      ILE   5  -1.024   4.250   3.175
   47   2HG2  ILE   5          2HG2      ILE   5  -1.780   5.842   3.115
   48   3HG2  ILE   5          3HG2      ILE   5  -0.761   5.299   1.781
   49   1HD1  ILE   5          1HD1      ILE   5  -2.535   7.365   1.230
   50   2HD1  ILE   5          2HD1      ILE   5  -3.279   6.894  -0.298
   51   3HD1  ILE   5          3HD1      ILE   5  -1.815   6.082   0.257
   52    H    TRP   6           H        TRP   6  -2.377   1.329   2.011
   53    HA   TRP   6           HA       TRP   6   0.458   1.094   2.666
   54   1HB   TRP   6          2HB       TRP   6  -1.112   0.275   4.247
   55   2HB   TRP   6          1HB       TRP   6  -2.043  -0.565   3.009
   56    HD1  TRP   6           HD1      TRP   6  -1.692  -3.065   3.058
   57    HE1  TRP   6           HE1      TRP   6   0.240  -4.660   3.666
   58    HE3  TRP   6           HE3      TRP   6   1.898   0.340   4.323
   59    HZ2  TRP   6           HZ2      TRP   6   2.951  -4.511   4.569
   60    HZ3  TRP   6           HZ3      TRP   6   4.144  -0.413   5.052
   61    HH2  TRP   6           HH2      TRP   6   4.674  -2.832   5.176
   62    H    GLU   7           H        GLU   7  -1.700  -0.168   0.196
   63    HA   GLU   7           HA       GLU   7  -0.087  -2.353  -0.725
   64   1HB   GLU   7          2HB       GLU   7  -2.319  -0.633  -1.710
   65   2HB   GLU   7          1HB       GLU   7  -1.451  -1.586  -2.914
   66   1HG   GLU   7          2HG       GLU   7  -1.765  -3.537  -1.175
   67   2HG   GLU   7          1HG       GLU   7  -3.079  -2.526  -0.573
   68    H    GLY   8           H        GLY   8   0.051   1.115  -1.261
   69   1HA   GLY   8          2HA       GLY   8   1.904   0.900  -3.520
   70   2HA   GLY   8          1HA       GLY   8   1.422   2.394  -2.715
   71    H    ILE   9           H        ILE   9   2.085   1.366  -0.038
   72    HA   ILE   9           HA       ILE   9   4.860   2.168   0.067
   73    HB   ILE   9           HB       ILE   9   3.034   0.794   2.068
   74   1HG1  ILE   9          2HG1      ILE   9   3.626   3.696   1.433
   75   2HG1  ILE   9          1HG1      ILE   9   2.062   2.882   1.387
   76   1HG2  ILE   9          1HG2      ILE   9   5.460   0.638   2.627
   77   2HG2  ILE   9          2HG2      ILE   9   4.570   1.648   3.766
   78   3HG2  ILE   9          3HG2      ILE   9   5.570   2.395   2.520
   79   1HD1  ILE   9          1HD1      ILE   9   1.743   3.528   3.520
   80   2HD1  ILE   9          2HD1      ILE   9   3.394   4.138   3.631
   81   3HD1  ILE   9          3HD1      ILE   9   3.054   2.444   3.984
   82    H    LYS  10           H        LYS  10   3.269  -0.985   0.717
   83    HA   LYS  10           HA       LYS  10   5.637  -2.511   1.082
   84   1HB   LYS  10          2HB       LYS  10   4.099  -4.408   0.508
   85   2HB   LYS  10          1HB       LYS  10   3.388  -3.276   1.659
   86   1HG   LYS  10          2HG       LYS  10   1.630  -3.367   0.188
   87   2HG   LYS  10          1HG       LYS  10   2.571  -2.124  -0.637
   88   1HD   LYS  10          2HD       LYS  10   1.899  -3.863  -2.232
   89   2HD   LYS  10          1HD       LYS  10   3.650  -3.883  -2.018
   90   1HE   LYS  10          2HE       LYS  10   3.575  -5.832  -0.655
   91   2HE   LYS  10          1HE       LYS  10   1.827  -5.673  -0.390
   92   1HZ   LYS  10          1HZ       LYS  10   3.214  -6.287  -2.942
   93   2HZ   LYS  10          2HZ       LYS  10   1.571  -5.863  -2.851
   94   3HZ   LYS  10          3HZ       LYS  10   2.129  -7.281  -2.098
   95    H    SER  11           H        SER  11   4.078  -1.338  -1.833
   96    HA   SER  11           HA       SER  11   5.579  -3.115  -3.629
   97   1HB   SER  11          2HB       SER  11   3.309  -1.377  -3.686
   98   2HB   SER  11          1HB       SER  11   4.434  -0.831  -4.926
   99    HG   SER  11           HG       SER  11   3.573  -2.428  -6.007
  100    H    LEU  12           H        LEU  12   5.920   0.095  -2.260
  101    HA   LEU  12           HA       LEU  12   8.087   0.839  -4.136
  102   1HB   LEU  12          2HB       LEU  12   6.241   2.102  -2.265
  103   2HB   LEU  12          1HB       LEU  12   7.887   2.699  -2.049
  104    HG   LEU  12           HG       LEU  12   7.388   2.501  -4.854
  105   1HD1  LEU  12          1HD1      LEU  12   5.112   2.779  -4.836
  106   2HD1  LEU  12          2HD1      LEU  12   5.553   4.470  -4.595
  107   3HD1  LEU  12          3HD1      LEU  12   5.106   3.469  -3.213
  108   1HD2  LEU  12          1HD2      LEU  12   8.670   4.341  -4.642
  109   2HD2  LEU  12          2HD2      LEU  12   8.423   4.320  -2.896
  110   3HD2  LEU  12          3HD2      LEU  12   7.304   5.203  -3.935
  111    H    PHE  13           H        PHE  13   7.696  -0.642  -1.034
  112    HA   PHE  13           HA       PHE  13  10.588  -0.181  -0.389
  113   1HB   PHE  13          2HB       PHE  13   8.342   0.296   1.085
  114   2HB   PHE  13          1HB       PHE  13   8.732  -1.343   1.610
  115    HD1  PHE  13           HD1      PHE  13  11.031   1.382   0.507
  116    HD2  PHE  13           HD2      PHE  13   9.670  -1.067   3.763
  117    HE1  PHE  13           HE1      PHE  13  12.853   2.263   1.928
  118    HE2  PHE  13           HE2      PHE  13  11.495  -0.180   5.191
  119    HZ   PHE  13           HZ       PHE  13  13.088   1.486   4.274
  120   1HN   NH2  14          1HN       NH2  14  11.900  -1.994  -0.733
  121   2HN   NH2  14          2HN       NH2  14  11.371  -3.607  -0.721
  Start of MODEL   14
    1   1H    ILE   1          1H        ILE   1 -11.736  -0.264  -0.719
    2   2H    ILE   1          2H        ILE   1 -12.286   0.323   0.777
    3   3H    ILE   1          3H        ILE   1 -11.564  -1.211   0.678
    4    HA   ILE   1           HA       ILE   1  -9.587   0.277  -0.316
    5    HB   ILE   1           HB       ILE   1 -11.141   2.242   0.057
    6   1HG1  ILE   1          2HG1      ILE   1  -9.101   3.156   1.799
    7   2HG1  ILE   1          1HG1      ILE   1  -8.359   1.939   0.759
    8   1HG2  ILE   1          1HG2      ILE   1 -12.125   2.531   2.061
    9   2HG2  ILE   1          2HG2      ILE   1 -10.559   2.516   2.873
   10   3HG2  ILE   1          3HG2      ILE   1 -11.418   1.002   2.582
   11   1HD1  ILE   1          1HD1      ILE   1  -8.732   3.156  -1.168
   12   2HD1  ILE   1          2HD1      ILE   1  -8.564   4.483  -0.018
   13   3HD1  ILE   1          3HD1      ILE   1 -10.169   3.945  -0.517
   14    H    LEU   2           H        LEU   2  -9.822  -2.107   1.026
   15    HA   LEU   2           HA       LEU   2  -9.437  -2.175   3.818
   16   1HB   LEU   2          2HB       LEU   2  -9.494  -3.944   1.745
   17   2HB   LEU   2          1HB       LEU   2  -7.779  -3.984   2.155
   18    HG   LEU   2           HG       LEU   2  -9.114  -4.026   4.623
   19   1HD1  LEU   2          1HD1      LEU   2 -10.491  -6.186   4.186
   20   2HD1  LEU   2          2HD1      LEU   2 -10.514  -5.652   2.506
   21   3HD1  LEU   2          3HD1      LEU   2 -11.221  -4.638   3.763
   22   1HD2  LEU   2          1HD2      LEU   2  -7.313  -5.410   4.686
   23   2HD2  LEU   2          2HD2      LEU   2  -7.422  -5.770   2.963
   24   3HD2  LEU   2          3HD2      LEU   2  -8.429  -6.650   4.112
   25    H    GLY   3           H        GLY   3  -7.195  -1.282   1.258
   26   1HA   GLY   3          2HA       GLY   3  -5.433   0.114   3.005
   27   2HA   GLY   3          1HA       GLY   3  -4.751  -1.479   2.694
   28    H    LYS   4           H        LYS   4  -6.508   0.841   0.633
   29    HA   LYS   4           HA       LYS   4  -4.974   0.261  -1.717
   30   1HB   LYS   4          2HB       LYS   4  -7.240   1.673  -1.035
   31   2HB   LYS   4          1HB       LYS   4  -6.114   2.970  -1.438
   32   1HG   LYS   4          2HG       LYS   4  -6.951   0.646  -3.189
   33   2HG   LYS   4          1HG       LYS   4  -7.216   2.365  -3.483
   34   1HD   LYS   4          2HD       LYS   4  -4.671   2.616  -3.469
   35   2HD   LYS   4          1HD       LYS   4  -4.598   0.855  -3.545
   36   1HE   LYS   4          2HE       LYS   4  -4.846   1.009  -5.792
   37   2HE   LYS   4          1HE       LYS   4  -6.474   1.663  -5.521
   38   1HZ   LYS   4          1HZ       LYS   4  -4.008   3.302  -5.329
   39   2HZ   LYS   4          2HZ       LYS   4  -5.616   3.849  -5.344
   40   3HZ   LYS   4          3HZ       LYS   4  -4.928   3.184  -6.748
   41    H    ILE   5           H        ILE   5  -4.596   2.593   0.897
   42    HA   ILE   5           HA       ILE   5  -2.399   4.050  -0.352
   43    HB   ILE   5           HB       ILE   5  -3.622   3.858   2.409
   44   1HG1  ILE   5          2HG1      ILE   5  -4.835   4.960   0.445
   45   2HG1  ILE   5          1HG1      ILE   5  -4.607   5.970   1.871
   46   1HG2  ILE   5          1HG2      ILE   5  -1.036   4.906   1.647
   47   2HG2  ILE   5          2HG2      ILE   5  -1.768   4.826   3.250
   48   3HG2  ILE   5          3HG2      ILE   5  -2.078   6.215   2.205
   49   1HD1  ILE   5          1HD1      ILE   5  -3.220   7.397   0.778
   50   2HD1  ILE   5          2HD1      ILE   5  -3.890   6.685  -0.689
   51   3HD1  ILE   5          3HD1      ILE   5  -2.366   6.085  -0.034
   52    H    TRP   6           H        TRP   6  -2.754   1.299   1.821
   53    HA   TRP   6           HA       TRP   6   0.068   1.193   2.576
   54   1HB   TRP   6          2HB       TRP   6  -1.585   0.336   4.086
   55   2HB   TRP   6          1HB       TRP   6  -2.332  -0.638   2.819
   56    HD1  TRP   6           HD1      TRP   6  -1.571  -3.058   2.668
   57    HE1  TRP   6           HE1      TRP   6   0.404  -4.429   3.599
   58    HE3  TRP   6           HE3      TRP   6   1.160   0.680   4.824
   59    HZ2  TRP   6           HZ2      TRP   6   2.823  -3.998   5.065
   60    HZ3  TRP   6           HZ3      TRP   6   3.293   0.172   5.981
   61    HH2  TRP   6           HH2      TRP   6   4.127  -2.159   6.104
   62    H    GLU   7           H        GLU   7  -1.949  -0.122   0.022
   63    HA   GLU   7           HA       GLU   7  -0.268  -2.278  -0.831
   64   1HB   GLU   7          2HB       GLU   7  -2.420  -0.535  -1.973
   65   2HB   GLU   7          1HB       GLU   7  -1.505  -1.557  -3.084
   66   1HG   GLU   7          2HG       GLU   7  -2.701  -2.675  -0.547
   67   2HG   GLU   7          1HG       GLU   7  -3.640  -2.565  -2.036
   68    H    GLY   8           H        GLY   8  -0.178   1.195  -1.412
   69   1HA   GLY   8          2HA       GLY   8   1.863   0.983  -3.503
   70   2HA   GLY   8          1HA       GLY   8   1.269   2.480  -2.784
   71    H    ILE   9           H        ILE   9   1.740   1.449  -0.030
   72    HA   ILE   9           HA       ILE   9   4.423   2.430   0.338
   73    HB   ILE   9           HB       ILE   9   2.446   0.913   2.061
   74   1HG1  ILE   9          2HG1      ILE   9   3.272   3.815   1.792
   75   2HG1  ILE   9          1HG1      ILE   9   1.675   3.121   1.517
   76   1HG2  ILE   9          1HG2      ILE   9   5.232   1.253   2.502
   77   2HG2  ILE   9          2HG2      ILE   9   4.026   0.661   3.644
   78   3HG2  ILE   9          3HG2      ILE   9   4.402   2.382   3.573
   79   1HD1  ILE   9          1HD1      ILE   9   1.341   3.901   3.656
   80   2HD1  ILE   9          2HD1      ILE   9   3.046   3.764   4.084
   81   3HD1  ILE   9          3HD1      ILE   9   2.026   2.326   4.056
   82    H    LYS  10           H        LYS  10   3.102  -0.852   0.949
   83    HA   LYS  10           HA       LYS  10   5.637  -2.132   1.257
   84   1HB   LYS  10          2HB       LYS  10   4.309  -4.158   1.078
   85   2HB   LYS  10          1HB       LYS  10   3.344  -2.951   1.928
   86   1HG   LYS  10          2HG       LYS  10   1.776  -3.615   0.377
   87   2HG   LYS  10          1HG       LYS  10   2.585  -2.371  -0.578
   88   1HD   LYS  10          2HD       LYS  10   2.682  -4.128  -2.077
   89   2HD   LYS  10          1HD       LYS  10   4.190  -4.404  -1.205
   90   1HE   LYS  10          2HE       LYS  10   2.339  -5.731   0.373
   91   2HE   LYS  10          1HE       LYS  10   1.765  -6.056  -1.275
   92   1HZ   LYS  10          1HZ       LYS  10   3.687  -7.479  -0.244
   93   2HZ   LYS  10          2HZ       LYS  10   4.647  -6.165  -0.736
   94   3HZ   LYS  10          3HZ       LYS  10   3.730  -7.027  -1.878
   95    H    SER  11           H        SER  11   3.830  -1.185  -1.584
   96    HA   SER  11           HA       SER  11   5.277  -2.938  -3.430
   97   1HB   SER  11          2HB       SER  11   3.137  -2.379  -4.164
   98   2HB   SER  11          1HB       SER  11   3.242  -0.737  -3.534
   99    HG   SER  11           HG       SER  11   4.336  -0.122  -5.281
  100    H    LEU  12           H        LEU  12   5.691   0.271  -2.096
  101    HA   LEU  12           HA       LEU  12   7.536   1.227  -4.141
  102   1HB   LEU  12          2HB       LEU  12   6.418   2.074  -1.517
  103   2HB   LEU  12          1HB       LEU  12   7.964   2.792  -1.972
  104    HG   LEU  12           HG       LEU  12   5.923   2.699  -4.118
  105   1HD1  LEU  12          1HD1      LEU  12   5.330   3.811  -1.496
  106   2HD1  LEU  12          2HD1      LEU  12   4.278   3.648  -2.901
  107   3HD1  LEU  12          3HD1      LEU  12   5.319   5.062  -2.739
  108   1HD2  LEU  12          1HD2      LEU  12   8.049   4.561  -3.080
  109   2HD2  LEU  12          2HD2      LEU  12   6.819   5.163  -4.191
  110   3HD2  LEU  12          3HD2      LEU  12   7.887   3.850  -4.686
  111    H    PHE  13           H        PHE  13   7.804  -0.587  -1.146
  112    HA   PHE  13           HA       PHE  13  10.728  -0.237  -0.974
  113   1HB   PHE  13          2HB       PHE  13   8.687  -0.710   0.799
  114   2HB   PHE  13          1HB       PHE  13   9.360  -2.329   0.605
  115    HD1  PHE  13           HD1      PHE  13  11.096   0.966   0.396
  116    HD2  PHE  13           HD2      PHE  13  10.590  -2.687   2.596
  117    HE1  PHE  13           HE1      PHE  13  13.001   1.580   1.848
  118    HE2  PHE  13           HE2      PHE  13  12.498  -2.071   4.056
  119    HZ   PHE  13           HZ       PHE  13  13.705   0.064   3.682
  120   1HN   NH2  14          1HN       NH2  14   8.429  -2.882  -1.811
  121   2HN   NH2  14          2HN       NH2  14   9.595  -3.889  -2.523
  Start of MODEL   15
    1   1H    ILE   1          1H        ILE   1 -10.714  -1.010  -0.612
    2   2H    ILE   1          2H        ILE   1  -9.137  -0.462  -0.299
    3   3H    ILE   1          3H        ILE   1 -10.322  -0.391   0.917
    4    HA   ILE   1           HA       ILE   1 -10.446  -2.949   0.601
    5    HB   ILE   1           HB       ILE   1  -7.673  -2.262  -0.417
    6   1HG1  ILE   1          2HG1      ILE   1 -10.170  -3.089  -1.934
    7   2HG1  ILE   1          1HG1      ILE   1  -9.318  -1.550  -2.077
    8   1HG2  ILE   1          1HG2      ILE   1  -9.241  -4.789   0.042
    9   2HG2  ILE   1          2HG2      ILE   1  -7.577  -4.419   0.494
   10   3HG2  ILE   1          3HG2      ILE   1  -7.982  -4.746  -1.191
   11   1HD1  ILE   1          1HD1      ILE   1  -8.019  -2.463  -3.670
   12   2HD1  ILE   1          2HD1      ILE   1  -8.778  -4.037  -3.430
   13   3HD1  ILE   1          3HD1      ILE   1  -7.377  -3.576  -2.462
   14    H    LEU   2           H        LEU   2  -8.736  -4.212   2.034
   15    HA   LEU   2           HA       LEU   2  -8.617  -3.167   4.607
   16   1HB   LEU   2          2HB       LEU   2  -8.139  -5.491   3.982
   17   2HB   LEU   2          1HB       LEU   2  -6.656  -4.986   3.170
   18    HG   LEU   2           HG       LEU   2  -6.960  -4.148   6.007
   19   1HD1  LEU   2          1HD1      LEU   2  -6.034  -6.419   6.701
   20   2HD1  LEU   2          2HD1      LEU   2  -6.541  -7.013   5.120
   21   3HD1  LEU   2          3HD1      LEU   2  -7.740  -6.401   6.259
   22   1HD2  LEU   2          1HD2      LEU   2  -4.975  -3.959   4.197
   23   2HD2  LEU   2          2HD2      LEU   2  -4.567  -5.530   4.886
   24   3HD2  LEU   2          3HD2      LEU   2  -4.659  -4.109   5.926
   25    H    GLY   3           H        GLY   3  -6.569  -2.365   1.889
   26   1HA   GLY   3          2HA       GLY   3  -5.427  -0.104   3.292
   27   2HA   GLY   3          1HA       GLY   3  -4.246  -1.397   3.092
   28    H    LYS   4           H        LYS   4  -6.330   0.853   1.351
   29    HA   LYS   4           HA       LYS   4  -5.414   0.100  -1.296
   30   1HB   LYS   4          2HB       LYS   4  -7.457   1.562  -0.230
   31   2HB   LYS   4          1HB       LYS   4  -6.380   2.852  -0.767
   32   1HG   LYS   4          2HG       LYS   4  -6.361   1.994  -3.025
   33   2HG   LYS   4          1HG       LYS   4  -7.238   0.544  -2.532
   34   1HD   LYS   4          2HD       LYS   4  -9.251   1.619  -2.468
   35   2HD   LYS   4          1HD       LYS   4  -8.546   3.115  -1.854
   36   1HE   LYS   4          2HE       LYS   4  -7.829   2.337  -4.649
   37   2HE   LYS   4          1HE       LYS   4  -9.470   2.949  -4.366
   38   1HZ   LYS   4          1HZ       LYS   4  -7.594   4.646  -4.755
   39   2HZ   LYS   4          2HZ       LYS   4  -7.135   4.289  -3.158
   40   3HZ   LYS   4          3HZ       LYS   4  -8.679   4.922  -3.479
   41    H    ILE   5           H        ILE   5  -4.666   2.834   0.866
   42    HA   ILE   5           HA       ILE   5  -2.577   3.929  -0.798
   43    HB   ILE   5           HB       ILE   5  -3.341   4.145   2.128
   44   1HG1  ILE   5          2HG1      ILE   5  -4.886   5.038   0.342
   45   2HG1  ILE   5          1HG1      ILE   5  -4.294   6.267   1.459
   46   1HG2  ILE   5          1HG2      ILE   5  -1.775   5.936   2.376
   47   2HG2  ILE   5          2HG2      ILE   5  -1.417   5.955   0.649
   48   3HG2  ILE   5          3HG2      ILE   5  -0.875   4.606   1.648
   49   1HD1  ILE   5          1HD1      ILE   5  -4.007   6.186  -1.383
   50   2HD1  ILE   5          2HD1      ILE   5  -2.402   6.035  -0.667
   51   3HD1  ILE   5          3HD1      ILE   5  -3.422   7.416  -0.263
   52    H    TRP   6           H        TRP   6  -2.714   1.365   1.579
   53    HA   TRP   6           HA       TRP   6   0.158   1.259   2.090
   54   1HB   TRP   6          2HB       TRP   6  -1.336   0.456   3.767
   55   2HB   TRP   6          1HB       TRP   6  -2.235  -0.518   2.604
   56    HD1  TRP   6           HD1      TRP   6  -1.549  -2.961   2.400
   57    HE1  TRP   6           HE1      TRP   6   0.467  -4.376   3.165
   58    HE3  TRP   6           HE3      TRP   6   1.460   0.724   4.254
   59    HZ2  TRP   6           HZ2      TRP   6   3.019  -3.993   4.402
   60    HZ3  TRP   6           HZ3      TRP   6   3.675   0.172   5.219
   61    HH2  TRP   6           HH2      TRP   6   4.458  -2.179   5.295
   62    H    GLU   7           H        GLU   7  -2.053  -0.136  -0.258
   63    HA   GLU   7           HA       GLU   7  -0.624  -2.383  -1.163
   64   1HB   GLU   7          2HB       GLU   7  -2.608  -0.461  -2.164
   65   2HB   GLU   7          1HB       GLU   7  -1.654  -1.208  -3.446
   66   1HG   GLU   7          2HG       GLU   7  -2.945  -2.828  -1.242
   67   2HG   GLU   7          1HG       GLU   7  -3.777  -2.458  -2.753
   68    H    GLY   8           H        GLY   8  -0.173   1.038  -2.015
   69   1HA   GLY   8          2HA       GLY   8   2.042   0.428  -3.833
   70   2HA   GLY   8          1HA       GLY   8   1.488   2.041  -3.381
   71    H    ILE   9           H        ILE   9   1.622   1.359  -0.481
   72    HA   ILE   9           HA       ILE   9   4.294   2.266   0.052
   73    HB   ILE   9           HB       ILE   9   2.053   1.046   1.678
   74   1HG1  ILE   9          2HG1      ILE   9   3.223   3.827   1.362
   75   2HG1  ILE   9          1HG1      ILE   9   1.614   3.284   0.881
   76   1HG2  ILE   9          1HG2      ILE   9   4.618   2.246   2.764
   77   2HG2  ILE   9          2HG2      ILE   9   4.295   0.513   2.691
   78   3HG2  ILE   9          3HG2      ILE   9   3.292   1.556   3.698
   79   1HD1  ILE   9          1HD1      ILE   9   0.887   3.954   2.907
   80   2HD1  ILE   9          2HD1      ILE   9   2.536   4.210   3.478
   81   3HD1  ILE   9          3HD1      ILE   9   1.802   2.610   3.592
   82    H    LYS  10           H        LYS  10   2.775  -0.927   0.679
   83    HA   LYS  10           HA       LYS  10   5.164  -2.255   1.503
   84   1HB   LYS  10          2HB       LYS  10   3.793  -4.290   0.953
   85   2HB   LYS  10          1HB       LYS  10   2.918  -3.103   1.920
   86   1HG   LYS  10          2HG       LYS  10   1.316  -3.338   0.317
   87   2HG   LYS  10          1HG       LYS  10   2.340  -2.229  -0.597
   88   1HD   LYS  10          2HD       LYS  10   2.298  -3.891  -2.161
   89   2HD   LYS  10          1HD       LYS  10   3.564  -4.593  -1.153
   90   1HE   LYS  10          2HE       LYS  10   1.791  -5.837   0.123
   91   2HE   LYS  10          1HE       LYS  10   0.596  -5.233  -1.042
   92   1HZ   LYS  10          1HZ       LYS  10   1.281  -7.213  -2.002
   93   2HZ   LYS  10          2HZ       LYS  10   2.896  -7.021  -1.511
   94   3HZ   LYS  10          3HZ       LYS  10   2.272  -6.078  -2.779
   95    H    SER  11           H        SER  11   3.929  -1.441  -1.672
   96    HA   SER  11           HA       SER  11   5.696  -3.323  -3.086
   97   1HB   SER  11          2HB       SER  11   3.754  -2.951  -4.282
   98   2HB   SER  11          1HB       SER  11   3.592  -1.298  -3.698
   99    HG   SER  11           HG       SER  11   4.263  -0.998  -5.722
  100    H    LEU  12           H        LEU  12   6.039  -0.253  -1.653
  101    HA   LEU  12           HA       LEU  12   8.033   0.768  -3.570
  102   1HB   LEU  12          2HB       LEU  12   6.523   2.313  -2.477
  103   2HB   LEU  12          1HB       LEU  12   6.956   1.683  -0.887
  104    HG   LEU  12           HG       LEU  12   9.218   2.652  -2.543
  105   1HD1  LEU  12          1HD1      LEU  12   7.236   4.566  -1.272
  106   2HD1  LEU  12          2HD1      LEU  12   7.459   4.345  -3.007
  107   3HD1  LEU  12          3HD1      LEU  12   8.767   5.007  -2.027
  108   1HD2  LEU  12          1HD2      LEU  12   8.952   1.840   0.012
  109   2HD2  LEU  12          2HD2      LEU  12   8.647   3.561   0.237
  110   3HD2  LEU  12          3HD2      LEU  12  10.166   3.022  -0.478
  111    H    PHE  13           H        PHE  13   7.945  -0.851  -0.439
  112    HA   PHE  13           HA       PHE  13  10.923  -1.130  -0.572
  113   1HB   PHE  13          2HB       PHE  13   9.415   0.475   1.202
  114   2HB   PHE  13          1HB       PHE  13   9.931  -0.925   2.142
  115    HD1  PHE  13           HD1      PHE  13  11.685   0.590  -0.764
  116    HD2  PHE  13           HD2      PHE  13  11.660   0.014   3.491
  117    HE1  PHE  13           HE1      PHE  13  13.968   1.528  -0.626
  118    HE2  PHE  13           HE2      PHE  13  13.950   0.956   3.630
  119    HZ   PHE  13           HZ       PHE  13  15.107   1.713   1.571
  120   1HN   NH2  14          1HN       NH2  14   8.466  -2.192   1.838
  121   2HN   NH2  14          2HN       NH2  14   8.743  -3.854   1.631
  Start of MODEL   16
    1   1H    ILE   1          1H        ILE   1  -9.087   0.976   2.136
    2   2H    ILE   1          2H        ILE   1 -10.610   1.221   2.849
    3   3H    ILE   1          3H        ILE   1 -10.479   1.013   1.168
    4    HA   ILE   1           HA       ILE   1 -11.241  -0.979   2.629
    5    HB   ILE   1           HB       ILE   1 -10.004  -2.407   0.927
    6   1HG1  ILE   1          2HG1      ILE   1  -8.977   0.178  -0.213
    7   2HG1  ILE   1          1HG1      ILE   1  -8.033  -0.655   1.024
    8   1HG2  ILE   1          1HG2      ILE   1 -11.784  -0.117   0.437
    9   2HG2  ILE   1          2HG2      ILE   1 -11.921  -1.785  -0.118
   10   3HG2  ILE   1          3HG2      ILE   1 -10.899  -0.645  -0.993
   11   1HD1  ILE   1          1HD1      ILE   1  -9.005  -2.505  -1.004
   12   2HD1  ILE   1          2HD1      ILE   1  -7.357  -2.234  -0.437
   13   3HD1  ILE   1          3HD1      ILE   1  -8.029  -1.220  -1.713
   14    H    LEU   2           H        LEU   2  -9.413  -3.141   2.545
   15    HA   LEU   2           HA       LEU   2  -8.298  -3.274   5.070
   16   1HB   LEU   2          2HB       LEU   2  -8.162  -4.666   2.581
   17   2HB   LEU   2          1HB       LEU   2  -6.522  -4.555   3.220
   18    HG   LEU   2           HG       LEU   2  -7.966  -5.177   5.475
   19   1HD1  LEU   2          1HD1      LEU   2 -10.033  -5.642   4.417
   20   2HD1  LEU   2          2HD1      LEU   2  -9.294  -7.229   4.633
   21   3HD1  LEU   2          3HD1      LEU   2  -9.251  -6.444   3.055
   22   1HD2  LEU   2          1HD2      LEU   2  -5.813  -6.160   4.450
   23   2HD2  LEU   2          2HD2      LEU   2  -6.875  -7.285   3.603
   24   3HD2  LEU   2          3HD2      LEU   2  -6.836  -7.266   5.367
   25    H    GLY   3           H        GLY   3  -6.986  -1.601   2.267
   26   1HA   GLY   3          2HA       GLY   3  -5.402   0.237   3.575
   27   2HA   GLY   3          1HA       GLY   3  -4.358  -1.177   3.463
   28    H    LYS   4           H        LYS   4  -6.235   1.117   1.525
   29    HA   LYS   4           HA       LYS   4  -5.219   0.206  -1.032
   30   1HB   LYS   4          2HB       LYS   4  -7.314   1.592  -0.454
   31   2HB   LYS   4          1HB       LYS   4  -6.220   2.969  -0.311
   32   1HG   LYS   4          2HG       LYS   4  -6.512   3.226  -2.541
   33   2HG   LYS   4          1HG       LYS   4  -5.451   1.827  -2.711
   34   1HD   LYS   4          2HD       LYS   4  -7.483   0.354  -2.546
   35   2HD   LYS   4          1HD       LYS   4  -8.479   1.810  -2.591
   36   1HE   LYS   4          2HE       LYS   4  -6.933   2.291  -4.754
   37   2HE   LYS   4          1HE       LYS   4  -6.928   0.516  -4.781
   38   1HZ   LYS   4          1HZ       LYS   4  -8.912   1.872  -5.818
   39   2HZ   LYS   4          2HZ       LYS   4  -9.453   1.885  -4.208
   40   3HZ   LYS   4          3HZ       LYS   4  -9.181   0.409  -5.003
   41    H    ILE   5           H        ILE   5  -4.451   2.996   1.043
   42    HA   ILE   5           HA       ILE   5  -2.244   3.968  -0.501
   43    HB   ILE   5           HB       ILE   5  -3.002   4.136   2.432
   44   1HG1  ILE   5          2HG1      ILE   5  -4.609   5.110   0.819
   45   2HG1  ILE   5          1HG1      ILE   5  -3.829   6.366   1.780
   46   1HG2  ILE   5          1HG2      ILE   5  -1.503   6.232   2.304
   47   2HG2  ILE   5          2HG2      ILE   5  -0.819   5.501   0.852
   48   3HG2  ILE   5          3HG2      ILE   5  -0.691   4.669   2.401
   49   1HD1  ILE   5          1HD1      ILE   5  -3.530   7.289  -0.309
   50   2HD1  ILE   5          2HD1      ILE   5  -3.509   5.721  -1.114
   51   3HD1  ILE   5          3HD1      ILE   5  -2.081   6.285  -0.248
   52    H    TRP   6           H        TRP   6  -2.553   1.396   1.869
   53    HA   TRP   6           HA       TRP   6   0.255   1.097   2.481
   54   1HB   TRP   6          2HB       TRP   6  -1.372   0.187   3.967
   55   2HB   TRP   6          1HB       TRP   6  -2.217  -0.636   2.655
   56    HD1  TRP   6           HD1      TRP   6  -1.802  -3.128   2.719
   57    HE1  TRP   6           HE1      TRP   6   0.184  -4.665   3.305
   58    HE3  TRP   6           HE3      TRP   6   1.671   0.378   4.033
   59    HZ2  TRP   6           HZ2      TRP   6   2.887  -4.437   4.212
   60    HZ3  TRP   6           HZ3      TRP   6   3.940  -0.308   4.754
   61    HH2  TRP   6           HH2      TRP   6   4.553  -2.709   4.845
   62    H    GLU   7           H        GLU   7  -1.867  -0.172  -0.041
   63    HA   GLU   7           HA       GLU   7  -0.227  -2.258  -1.055
   64   1HB   GLU   7          2HB       GLU   7  -2.654  -1.123  -1.606
   65   2HB   GLU   7          1HB       GLU   7  -1.708  -0.582  -2.993
   66   1HG   GLU   7          2HG       GLU   7  -1.232  -2.783  -3.685
   67   2HG   GLU   7          1HG       GLU   7  -1.637  -3.462  -2.108
   68    H    GLY   8           H        GLY   8  -0.057   1.235  -1.474
   69   1HA   GLY   8          2HA       GLY   8   1.891   1.093  -3.647
   70   2HA   GLY   8          1HA       GLY   8   1.400   2.555  -2.790
   71    H    ILE   9           H        ILE   9   1.974   1.299  -0.146
   72    HA   ILE   9           HA       ILE   9   4.791   2.051   0.013
   73    HB   ILE   9           HB       ILE   9   2.966   0.766   2.069
   74   1HG1  ILE   9          2HG1      ILE   9   3.301   3.657   1.216
   75   2HG1  ILE   9          1HG1      ILE   9   1.818   2.701   1.194
   76   1HG2  ILE   9          1HG2      ILE   9   4.747   0.995   3.425
   77   2HG2  ILE   9          2HG2      ILE   9   4.719   2.734   3.138
   78   3HG2  ILE   9          3HG2      ILE   9   5.688   1.685   2.104
   79   1HD1  ILE   9          1HD1      ILE   9   1.590   3.959   3.163
   80   2HD1  ILE   9          2HD1      ILE   9   3.302   3.820   3.562
   81   3HD1  ILE   9          3HD1      ILE   9   2.237   2.428   3.752
   82    H    LYS  10           H        LYS  10   2.986  -0.988   0.643
   83    HA   LYS  10           HA       LYS  10   5.205  -2.654   1.203
   84   1HB   LYS  10          2HB       LYS  10   3.622  -4.458   0.518
   85   2HB   LYS  10          1HB       LYS  10   2.848  -3.253   1.548
   86   1HG   LYS  10          2HG       LYS  10   1.528  -2.455  -0.144
   87   2HG   LYS  10          1HG       LYS  10   2.762  -2.728  -1.375
   88   1HD   LYS  10          2HD       LYS  10   1.165  -4.930  -0.038
   89   2HD   LYS  10          1HD       LYS  10   0.791  -4.249  -1.621
   90   1HE   LYS  10          2HE       LYS  10   3.594  -4.962  -1.508
   91   2HE   LYS  10          1HE       LYS  10   2.587  -6.361  -1.084
   92   1HZ   LYS  10          1HZ       LYS  10   2.553  -6.393  -3.388
   93   2HZ   LYS  10          2HZ       LYS  10   2.514  -4.700  -3.523
   94   3HZ   LYS  10          3HZ       LYS  10   1.129  -5.547  -3.024
   95    H    SER  11           H        SER  11   4.057  -1.364  -1.841
   96    HA   SER  11           HA       SER  11   5.563  -3.271  -3.494
   97   1HB   SER  11          2HB       SER  11   3.396  -2.193  -4.133
   98   2HB   SER  11          1HB       SER  11   4.213  -0.632  -4.155
   99    HG   SER  11           HG       SER  11   5.725  -1.816  -5.659
  100    H    LEU  12           H        LEU  12   6.177  -0.259  -1.890
  101    HA   LEU  12           HA       LEU  12   8.542   0.318  -3.606
  102   1HB   LEU  12          2HB       LEU  12   6.582   1.870  -2.445
  103   2HB   LEU  12          1HB       LEU  12   7.917   2.051  -1.307
  104    HG   LEU  12           HG       LEU  12   9.260   2.318  -3.646
  105   1HD1  LEU  12          1HD1      LEU  12   6.431   3.292  -4.100
  106   2HD1  LEU  12          2HD1      LEU  12   7.371   2.193  -5.110
  107   3HD1  LEU  12          3HD1      LEU  12   7.805   3.900  -5.022
  108   1HD2  LEU  12          1HD2      LEU  12   8.675   4.885  -3.256
  109   2HD2  LEU  12          2HD2      LEU  12   9.633   3.988  -2.078
  110   3HD2  LEU  12          3HD2      LEU  12   7.912   4.251  -1.797
  111    H    PHE  13           H        PHE  13   7.667  -0.351  -0.226
  112    HA   PHE  13           HA       PHE  13  10.504  -1.173   0.261
  113   1HB   PHE  13          2HB       PHE  13   9.192   1.144   1.206
  114   2HB   PHE  13          1HB       PHE  13   9.267   0.042   2.582
  115    HD1  PHE  13           HD1      PHE  13  11.640   0.252  -0.273
  116    HD2  PHE  13           HD2      PHE  13  10.996   1.016   3.904
  117    HE1  PHE  13           HE1      PHE  13  14.045   0.762   0.003
  118    HE2  PHE  13           HE2      PHE  13  13.407   1.529   4.181
  119    HZ   PHE  13           HZ       PHE  13  14.933   1.402   2.229
  120   1HN   NH2  14          1HN       NH2  14  10.595  -3.171   1.358
  121   2HN   NH2  14          2HN       NH2  14   9.273  -3.920   2.116
  Start of MODEL   17
    1   1H    ILE   1          1H        ILE   1  -7.102  -6.799   1.582
    2   2H    ILE   1          2H        ILE   1  -7.944  -7.189   0.159
    3   3H    ILE   1          3H        ILE   1  -8.723  -6.332   1.402
    4    HA   ILE   1           HA       ILE   1  -6.307  -5.164   0.193
    5    HB   ILE   1           HB       ILE   1  -7.851  -6.104  -1.591
    6   1HG1  ILE   1          2HG1      ILE   1  -7.831  -3.079  -1.557
    7   2HG1  ILE   1          1HG1      ILE   1  -6.364  -4.025  -1.814
    8   1HG2  ILE   1          1HG2      ILE   1  -9.868  -5.355   0.009
    9   2HG2  ILE   1          2HG2      ILE   1 -10.057  -5.461  -1.742
   10   3HG2  ILE   1          3HG2      ILE   1  -9.763  -3.897  -0.980
   11   1HD1  ILE   1          1HD1      ILE   1  -8.524  -5.009  -3.480
   12   2HD1  ILE   1          2HD1      ILE   1  -6.924  -4.439  -3.956
   13   3HD1  ILE   1          3HD1      ILE   1  -8.249  -3.291  -3.763
   14    H    LEU   2           H        LEU   2  -7.721  -5.052   2.818
   15    HA   LEU   2           HA       LEU   2  -9.375  -2.694   2.959
   16   1HB   LEU   2          2HB       LEU   2  -8.509  -4.778   4.603
   17   2HB   LEU   2          1HB       LEU   2  -7.808  -3.336   5.340
   18    HG   LEU   2           HG       LEU   2 -10.083  -3.818   6.219
   19   1HD1  LEU   2          1HD1      LEU   2 -10.684  -1.395   4.694
   20   2HD1  LEU   2          2HD1      LEU   2  -9.047  -1.386   5.354
   21   3HD1  LEU   2          3HD1      LEU   2 -10.431  -1.593   6.429
   22   1HD2  LEU   2          1HD2      LEU   2 -11.453  -2.930   3.782
   23   2HD2  LEU   2          2HD2      LEU   2 -11.840  -4.271   4.859
   24   3HD2  LEU   2          3HD2      LEU   2 -10.638  -4.481   3.585
   25    H    GLY   3           H        GLY   3  -6.080  -3.033   2.300
   26   1HA   GLY   3          2HA       GLY   3  -5.552  -0.246   3.252
   27   2HA   GLY   3          1HA       GLY   3  -4.311  -1.496   3.264
   28    H    LYS   4           H        LYS   4  -6.491   0.232   1.051
   29    HA   LYS   4           HA       LYS   4  -5.111  -0.550  -1.359
   30   1HB   LYS   4          2HB       LYS   4  -7.418   0.862  -0.563
   31   2HB   LYS   4          1HB       LYS   4  -6.458   2.019  -1.487
   32   1HG   LYS   4          2HG       LYS   4  -6.302  -0.425  -2.897
   33   2HG   LYS   4          1HG       LYS   4  -7.997  -0.224  -2.449
   34   1HD   LYS   4          2HD       LYS   4  -7.565   2.268  -3.258
   35   2HD   LYS   4          1HD       LYS   4  -6.280   1.500  -4.192
   36   1HE   LYS   4          2HE       LYS   4  -8.224  -0.225  -4.800
   37   2HE   LYS   4          1HE       LYS   4  -9.246   1.183  -4.443
   38   1HZ   LYS   4          1HZ       LYS   4  -6.812   1.504  -6.070
   39   2HZ   LYS   4          2HZ       LYS   4  -8.218   2.457  -6.047
   40   3HZ   LYS   4          3HZ       LYS   4  -8.233   0.934  -6.800
   41    H    ILE   5           H        ILE   5  -4.911   2.291   0.762
   42    HA   ILE   5           HA       ILE   5  -2.941   3.693  -0.834
   43    HB   ILE   5           HB       ILE   5  -3.940   3.832   2.020
   44   1HG1  ILE   5          2HG1      ILE   5  -5.388   4.506   0.027
   45   2HG1  ILE   5          1HG1      ILE   5  -5.148   5.754   1.250
   46   1HG2  ILE   5          1HG2      ILE   5  -2.753   6.193   1.793
   47   2HG2  ILE   5          2HG2      ILE   5  -1.716   5.316   0.668
   48   3HG2  ILE   5          3HG2      ILE   5  -1.847   4.783   2.344
   49   1HD1  ILE   5          1HD1      ILE   5  -3.085   5.707  -0.857
   50   2HD1  ILE   5          2HD1      ILE   5  -3.953   7.076  -0.161
   51   3HD1  ILE   5          3HD1      ILE   5  -4.703   6.110  -1.433
   52    H    TRP   6           H        TRP   6  -2.823   1.260   1.697
   53    HA   TRP   6           HA       TRP   6  -0.001   1.570   2.323
   54   1HB   TRP   6          2HB       TRP   6  -1.406   0.593   3.964
   55   2HB   TRP   6          1HB       TRP   6  -2.166  -0.484   2.793
   56    HD1  TRP   6           HD1      TRP   6  -1.307  -2.865   2.825
   57    HE1  TRP   6           HE1      TRP   6   0.848  -4.047   3.602
   58    HE3  TRP   6           HE3      TRP   6   1.446   1.184   4.281
   59    HZ2  TRP   6           HZ2      TRP   6   3.401  -3.366   4.697
   60    HZ3  TRP   6           HZ3      TRP   6   3.733   0.888   5.187
   61    HH2  TRP   6           HH2      TRP   6   4.714  -1.380   5.396
   62    H    GLU   7           H        GLU   7  -1.842  -0.147  -0.117
   63    HA   GLU   7           HA       GLU   7   0.045  -2.153  -0.856
   64   1HB   GLU   7          2HB       GLU   7  -2.457  -1.366  -1.597
   65   2HB   GLU   7          1HB       GLU   7  -1.520  -0.803  -2.982
   66   1HG   GLU   7          2HG       GLU   7  -0.726  -2.975  -3.478
   67   2HG   GLU   7          1HG       GLU   7  -1.174  -3.593  -1.887
   68    H    GLY   8           H        GLY   8  -0.158   1.283  -1.617
   69   1HA   GLY   8          2HA       GLY   8   1.980   1.136  -3.623
   70   2HA   GLY   8          1HA       GLY   8   1.203   2.610  -3.043
   71    H    ILE   9           H        ILE   9   1.647   1.841  -0.203
   72    HA   ILE   9           HA       ILE   9   4.232   3.091   0.160
   73    HB   ILE   9           HB       ILE   9   2.366   1.591   2.030
   74   1HG1  ILE   9          2HG1      ILE   9   2.691   4.541   1.387
   75   2HG1  ILE   9          1HG1      ILE   9   1.310   3.529   0.963
   76   1HG2  ILE   9          1HG2      ILE   9   5.007   2.712   2.424
   77   2HG2  ILE   9          2HG2      ILE   9   3.997   1.826   3.566
   78   3HG2  ILE   9          3HG2      ILE   9   3.822   3.573   3.405
   79   1HD1  ILE   9          1HD1      ILE   9   0.600   3.342   3.193
   80   2HD1  ILE   9          2HD1      ILE   9   1.153   5.014   3.101
   81   3HD1  ILE   9          3HD1      ILE   9   2.183   3.783   3.833
   82    H    LYS  10           H        LYS  10   3.122  -0.156   1.219
   83    HA   LYS  10           HA       LYS  10   5.645  -1.245   1.826
   84   1HB   LYS  10          2HB       LYS  10   4.486  -3.349   1.716
   85   2HB   LYS  10          1HB       LYS  10   3.288  -2.152   2.212
   86   1HG   LYS  10          2HG       LYS  10   2.097  -3.139   0.509
   87   2HG   LYS  10          1HG       LYS  10   2.981  -1.949  -0.446
   88   1HD   LYS  10          2HD       LYS  10   3.824  -3.661  -1.645
   89   2HD   LYS  10          1HD       LYS  10   4.732  -4.130  -0.207
   90   1HE   LYS  10          2HE       LYS  10   1.861  -4.971  -0.375
   91   2HE   LYS  10          1HE       LYS  10   3.053  -5.850  -1.354
   92   1HZ   LYS  10          1HZ       LYS  10   4.415  -5.659   0.877
   93   2HZ   LYS  10          2HZ       LYS  10   3.327  -6.936   0.613
   94   3HZ   LYS  10          3HZ       LYS  10   2.863  -5.602   1.557
   95    H    SER  11           H        SER  11   4.143  -0.697  -1.296
   96    HA   SER  11           HA       SER  11   5.814  -2.475  -2.845
   97   1HB   SER  11          2HB       SER  11   3.967  -0.163  -3.304
   98   2HB   SER  11          1HB       SER  11   5.007  -0.671  -4.630
   99    HG   SER  11           HG       SER  11   2.847  -1.717  -4.364
  100    H    LEU  12           H        LEU  12   6.155   0.830  -1.680
  101    HA   LEU  12           HA       LEU  12   8.384   1.563  -3.378
  102   1HB   LEU  12          2HB       LEU  12   6.658   2.716  -1.464
  103   2HB   LEU  12          1HB       LEU  12   8.286   2.911  -0.814
  104    HG   LEU  12           HG       LEU  12   8.262   3.470  -3.655
  105   1HD1  LEU  12          1HD1      LEU  12   5.848   4.057  -2.963
  106   2HD1  LEU  12          2HD1      LEU  12   6.784   5.324  -3.757
  107   3HD1  LEU  12          3HD1      LEU  12   6.568   5.352  -2.007
  108   1HD2  LEU  12          1HD2      LEU  12   8.732   5.341  -1.318
  109   2HD2  LEU  12          2HD2      LEU  12   9.420   5.450  -2.938
  110   3HD2  LEU  12          3HD2      LEU  12   9.925   4.157  -1.851
  111    H    PHE  13           H        PHE  13   8.065  -0.194  -0.362
  112    HA   PHE  13           HA       PHE  13   9.688  -1.251   0.997
  113   1HB   PHE  13          2HB       PHE  13  10.220  -1.687  -1.674
  114   2HB   PHE  13          1HB       PHE  13  11.762  -1.059  -1.090
  115    HD1  PHE  13           HD1      PHE  13   9.202  -3.036   0.767
  116    HD2  PHE  13           HD2      PHE  13  13.139  -2.982  -0.951
  117    HE1  PHE  13           HE1      PHE  13   9.693  -5.217   1.827
  118    HE2  PHE  13           HE2      PHE  13  13.631  -5.169   0.110
  119    HZ   PHE  13           HZ       PHE  13  11.907  -6.289   1.500
  120   1HN   NH2  14          1HN       NH2  14  12.553  -0.836   0.998
  121   2HN   NH2  14          2HN       NH2  14  12.859   0.765   1.469
  Start of MODEL   18
    1   1H    ILE   1          1H        ILE   1  -8.668  -6.463  -0.204
    2   2H    ILE   1          2H        ILE   1  -9.422  -4.973  -0.519
    3   3H    ILE   1          3H        ILE   1  -9.614  -5.722   0.993
    4    HA   ILE   1           HA       ILE   1  -7.541  -5.122   1.734
    5    HB   ILE   1           HB       ILE   1  -5.752  -4.638  -0.039
    6   1HG1  ILE   1          2HG1      ILE   1  -7.992  -5.713  -1.781
    7   2HG1  ILE   1          1HG1      ILE   1  -7.192  -4.147  -1.928
    8   1HG2  ILE   1          1HG2      ILE   1  -6.220  -6.865   1.196
    9   2HG2  ILE   1          2HG2      ILE   1  -5.248  -6.937  -0.273
   10   3HG2  ILE   1          3HG2      ILE   1  -6.950  -7.394  -0.319
   11   1HD1  ILE   1          1HD1      ILE   1  -5.754  -5.126  -3.362
   12   2HD1  ILE   1          2HD1      ILE   1  -6.369  -6.733  -2.974
   13   3HD1  ILE   1          3HD1      ILE   1  -5.103  -6.010  -1.982
   14    H    LEU   2           H        LEU   2  -8.986  -3.275   2.319
   15    HA   LEU   2           HA       LEU   2  -9.335  -0.984   0.611
   16   1HB   LEU   2          2HB       LEU   2 -10.148  -1.923   3.133
   17   2HB   LEU   2          1HB       LEU   2  -9.289  -0.418   3.463
   18    HG   LEU   2           HG       LEU   2 -11.640   0.082   3.051
   19   1HD1  LEU   2          1HD1      LEU   2 -10.216   1.806   2.249
   20   2HD1  LEU   2          2HD1      LEU   2 -11.334   1.497   0.920
   21   3HD1  LEU   2          3HD1      LEU   2  -9.698   0.843   0.865
   22   1HD2  LEU   2          1HD2      LEU   2 -12.526  -1.647   1.768
   23   2HD2  LEU   2          2HD2      LEU   2 -11.146  -1.676   0.670
   24   3HD2  LEU   2          3HD2      LEU   2 -12.348  -0.392   0.541
   25    H    GLY   3           H        GLY   3  -6.569  -2.196   2.136
   26   1HA   GLY   3          2HA       GLY   3  -5.309   0.332   2.829
   27   2HA   GLY   3          1HA       GLY   3  -4.502  -1.232   2.730
   28    H    LYS   4           H        LYS   4  -6.210   0.856   0.397
   29    HA   LYS   4           HA       LYS   4  -4.629   0.116  -1.857
   30   1HB   LYS   4          2HB       LYS   4  -6.344   2.477  -1.090
   31   2HB   LYS   4          1HB       LYS   4  -5.533   2.426  -2.655
   32   1HG   LYS   4          2HG       LYS   4  -6.670   0.397  -3.269
   33   2HG   LYS   4          1HG       LYS   4  -7.310   0.196  -1.637
   34   1HD   LYS   4          2HD       LYS   4  -8.889   1.873  -1.900
   35   2HD   LYS   4          1HD       LYS   4  -7.932   2.728  -3.110
   36   1HE   LYS   4          2HE       LYS   4  -8.502   1.139  -4.820
   37   2HE   LYS   4          1HE       LYS   4  -9.204   0.022  -3.632
   38   1HZ   LYS   4          1HZ       LYS   4 -10.699   1.937  -2.993
   39   2HZ   LYS   4          2HZ       LYS   4 -11.016   1.217  -4.500
   40   3HZ   LYS   4          3HZ       LYS   4 -10.193   2.702  -4.420
   41    H    ILE   5           H        ILE   5  -4.300   2.743   0.497
   42    HA   ILE   5           HA       ILE   5  -2.005   3.984  -0.760
   43    HB   ILE   5           HB       ILE   5  -3.367   4.045   1.933
   44   1HG1  ILE   5          2HG1      ILE   5  -4.333   5.119  -0.178
   45   2HG1  ILE   5          1HG1      ILE   5  -4.137   6.189   1.209
   46   1HG2  ILE   5          1HG2      ILE   5  -1.247   4.609   2.683
   47   2HG2  ILE   5          2HG2      ILE   5  -1.804   6.190   2.138
   48   3HG2  ILE   5          3HG2      ILE   5  -0.740   5.227   1.112
   49   1HD1  ILE   5          1HD1      ILE   5  -2.384   7.345   0.249
   50   2HD1  ILE   5          2HD1      ILE   5  -3.253   6.881  -1.213
   51   3HD1  ILE   5          3HD1      ILE   5  -1.846   5.954  -0.693
   52    H    TRP   6           H        TRP   6  -2.468   1.363   1.533
   53    HA   TRP   6           HA       TRP   6   0.336   1.282   2.387
   54   1HB   TRP   6          2HB       TRP   6  -1.303   0.565   3.951
   55   2HB   TRP   6          1HB       TRP   6  -2.140  -0.413   2.746
   56    HD1  TRP   6           HD1      TRP   6  -1.476  -2.875   2.569
   57    HE1  TRP   6           HE1      TRP   6   0.378  -4.345   3.594
   58    HE3  TRP   6           HE3      TRP   6   1.357   0.724   4.828
   59    HZ2  TRP   6           HZ2      TRP   6   2.748  -4.035   5.165
   60    HZ3  TRP   6           HZ3      TRP   6   3.406   0.109   6.080
   61    HH2  TRP   6           HH2      TRP   6   4.104  -2.263   6.253
   62    H    GLU   7           H        GLU   7  -1.666  -0.233  -0.074
   63    HA   GLU   7           HA       GLU   7  -0.016  -2.470  -0.722
   64   1HB   GLU   7          2HB       GLU   7  -2.228  -0.904  -1.848
   65   2HB   GLU   7          1HB       GLU   7  -1.189  -1.609  -3.087
   66   1HG   GLU   7          2HG       GLU   7  -1.376  -3.806  -1.774
   67   2HG   GLU   7          1HG       GLU   7  -2.695  -3.036  -0.890
   68    H    GLY   8           H        GLY   8   0.189   0.941  -1.581
   69   1HA   GLY   8          2HA       GLY   8   2.325   0.471  -3.547
   70   2HA   GLY   8          1HA       GLY   8   1.688   2.044  -3.067
   71    H    ILE   9           H        ILE   9   1.994   1.442  -0.187
   72    HA   ILE   9           HA       ILE   9   4.583   2.528   0.270
   73    HB   ILE   9           HB       ILE   9   2.567   1.008   1.931
   74   1HG1  ILE   9          2HG1      ILE   9   3.478   3.901   1.806
   75   2HG1  ILE   9          1HG1      ILE   9   1.933   3.263   1.242
   76   1HG2  ILE   9          1HG2      ILE   9   4.332   2.401   3.641
   77   2HG2  ILE   9          2HG2      ILE   9   5.354   1.479   2.538
   78   3HG2  ILE   9          3HG2      ILE   9   4.135   0.653   3.508
   79   1HD1  ILE   9          1HD1      ILE   9   1.314   2.631   3.512
   80   2HD1  ILE   9          2HD1      ILE   9   1.771   4.335   3.494
   81   3HD1  ILE   9          3HD1      ILE   9   2.897   3.127   4.113
   82    H    LYS  10           H        LYS  10   3.508  -0.796   1.096
   83    HA   LYS  10           HA       LYS  10   6.126  -1.844   1.519
   84   1HB   LYS  10          2HB       LYS  10   4.947  -4.004   1.383
   85   2HB   LYS  10          1HB       LYS  10   3.972  -2.834   2.272
   86   1HG   LYS  10          2HG       LYS  10   2.398  -2.667   0.603
   87   2HG   LYS  10          1HG       LYS  10   3.572  -2.968  -0.679
   88   1HD   LYS  10          2HD       LYS  10   3.603  -5.346   0.719
   89   2HD   LYS  10          1HD       LYS  10   1.905  -4.874   0.810
   90   1HE   LYS  10          2HE       LYS  10   2.034  -6.086  -1.226
   91   2HE   LYS  10          1HE       LYS  10   2.152  -4.396  -1.754
   92   1HZ   LYS  10          1HZ       LYS  10   4.631  -5.671  -0.918
   93   2HZ   LYS  10          2HZ       LYS  10   4.348  -4.577  -2.187
   94   3HZ   LYS  10          3HZ       LYS  10   3.975  -6.223  -2.381
   95    H    SER  11           H        SER  11   4.353  -1.189  -1.407
   96    HA   SER  11           HA       SER  11   5.987  -2.971  -3.087
   97   1HB   SER  11          2HB       SER  11   3.641  -2.567  -3.603
   98   2HB   SER  11          1HB       SER  11   3.908  -0.827  -3.628
   99    HG   SER  11           HG       SER  11   5.305  -1.156  -5.407
  100    H    LEU  12           H        LEU  12   5.954   0.395  -2.091
  101    HA   LEU  12           HA       LEU  12   7.788   1.323  -4.166
  102   1HB   LEU  12          2HB       LEU  12   5.986   2.506  -2.584
  103   2HB   LEU  12          1HB       LEU  12   7.398   2.718  -1.549
  104    HG   LEU  12           HG       LEU  12   7.842   3.354  -4.400
  105   1HD1  LEU  12          1HD1      LEU  12   6.258   5.302  -2.719
  106   2HD1  LEU  12          2HD1      LEU  12   5.469   4.180  -3.828
  107   3HD1  LEU  12          3HD1      LEU  12   6.603   5.379  -4.447
  108   1HD2  LEU  12          1HD2      LEU  12   9.377   4.822  -3.507
  109   2HD2  LEU  12          2HD2      LEU  12   9.235   3.730  -2.129
  110   3HD2  LEU  12          3HD2      LEU  12   8.336   5.247  -2.149
  111    H    PHE  13           H        PHE  13   8.207  -0.615  -1.453
  112    HA   PHE  13           HA       PHE  13  10.525   0.314  -0.157
  113   1HB   PHE  13          2HB       PHE  13   8.976  -2.074  -0.426
  114   2HB   PHE  13          1HB       PHE  13  10.677  -2.519  -0.562
  115    HD1  PHE  13           HD1      PHE  13   9.317   0.376   1.315
  116    HD2  PHE  13           HD2      PHE  13  11.013  -3.561   1.571
  117    HE1  PHE  13           HE1      PHE  13   9.577   0.649   3.758
  118    HE2  PHE  13           HE2      PHE  13  11.275  -3.288   4.023
  119    HZ   PHE  13           HZ       PHE  13  10.556  -1.182   5.119
  120   1HN   NH2  14          1HN       NH2  14  12.688   0.516  -0.845
  121   2HN   NH2  14          2HN       NH2  14  13.305  -0.103  -2.301
  Start of MODEL   19
    1   1H    ILE   1          1H        ILE   1 -13.207   0.444   1.942
    2   2H    ILE   1          2H        ILE   1 -12.216   1.373   2.961
    3   3H    ILE   1          3H        ILE   1 -12.461  -0.277   3.283
    4    HA   ILE   1           HA       ILE   1 -11.469  -0.483   0.833
    5    HB   ILE   1           HB       ILE   1 -11.390   2.029   0.787
    6   1HG1  ILE   1          2HG1      ILE   1  -8.843   2.081   0.192
    7   2HG1  ILE   1          1HG1      ILE   1  -8.904   0.348   0.518
    8   1HG2  ILE   1          1HG2      ILE   1 -10.382   1.714   3.359
    9   2HG2  ILE   1          2HG2      ILE   1 -10.396   3.216   2.435
   10   3HG2  ILE   1          3HG2      ILE   1  -8.967   2.182   2.417
   11   1HD1  ILE   1          1HD1      ILE   1  -9.367   1.231  -1.918
   12   2HD1  ILE   1          2HD1      ILE   1 -10.972   1.580  -1.276
   13   3HD1  ILE   1          3HD1      ILE   1 -10.355  -0.072  -1.258
   14    H    LEU   2           H        LEU   2  -9.839  -1.994   1.070
   15    HA   LEU   2           HA       LEU   2  -8.990  -2.884   3.650
   16   1HB   LEU   2          2HB       LEU   2  -8.136  -3.315   0.792
   17   2HB   LEU   2          1HB       LEU   2  -7.244  -4.076   2.110
   18    HG   LEU   2           HG       LEU   2  -9.857  -4.608   2.801
   19   1HD1  LEU   2          1HD1      LEU   2  -9.587  -4.451  -0.191
   20   2HD1  LEU   2          2HD1      LEU   2 -10.929  -3.937   0.829
   21   3HD1  LEU   2          3HD1      LEU   2 -10.652  -5.654   0.535
   22   1HD2  LEU   2          1HD2      LEU   2  -9.154  -6.783   2.617
   23   2HD2  LEU   2          2HD2      LEU   2  -7.586  -6.020   2.353
   24   3HD2  LEU   2          3HD2      LEU   2  -8.549  -6.556   0.976
   25    H    GLY   3           H        GLY   3  -6.477  -2.162   1.314
   26   1HA   GLY   3          2HA       GLY   3  -5.404   0.019   3.013
   27   2HA   GLY   3          1HA       GLY   3  -4.399  -1.412   2.799
   28    H    LYS   4           H        LYS   4  -6.034   1.175   1.012
   29    HA   LYS   4           HA       LYS   4  -4.766   0.592  -1.525
   30   1HB   LYS   4          2HB       LYS   4  -6.790   2.223  -0.505
   31   2HB   LYS   4          1HB       LYS   4  -5.559   3.365  -1.048
   32   1HG   LYS   4          2HG       LYS   4  -6.843   1.165  -2.691
   33   2HG   LYS   4          1HG       LYS   4  -7.046   2.903  -2.910
   34   1HD   LYS   4          2HD       LYS   4  -4.262   2.450  -2.929
   35   2HD   LYS   4          1HD       LYS   4  -4.962   1.181  -3.934
   36   1HE   LYS   4          2HE       LYS   4  -4.595   3.043  -5.407
   37   2HE   LYS   4          1HE       LYS   4  -6.335   3.062  -5.054
   38   1HZ   LYS   4          1HZ       LYS   4  -5.433   4.426  -2.980
   39   2HZ   LYS   4          2HZ       LYS   4  -5.861   5.178  -4.442
   40   3HZ   LYS   4          3HZ       LYS   4  -4.231   4.844  -4.100
   41    H    ILE   5           H        ILE   5  -4.046   2.785   1.167
   42    HA   ILE   5           HA       ILE   5  -1.755   4.027  -0.124
   43    HB   ILE   5           HB       ILE   5  -2.825   3.850   2.705
   44   1HG1  ILE   5          2HG1      ILE   5  -4.064   5.130   0.874
   45   2HG1  ILE   5          1HG1      ILE   5  -3.624   6.073   2.299
   46   1HG2  ILE   5          1HG2      ILE   5  -0.419   5.327   1.612
   47   2HG2  ILE   5          2HG2      ILE   5  -0.477   4.215   2.981
   48   3HG2  ILE   5          3HG2      ILE   5  -1.228   5.807   3.105
   49   1HD1  ILE   5          1HD1      ILE   5  -2.989   6.697  -0.348
   50   2HD1  ILE   5          2HD1      ILE   5  -1.486   6.058   0.319
   51   3HD1  ILE   5          3HD1      ILE   5  -2.282   7.428   1.093
   52    H    TRP   6           H        TRP   6  -2.287   1.227   1.940
   53    HA   TRP   6           HA       TRP   6   0.555   0.802   2.512
   54   1HB   TRP   6          2HB       TRP   6  -0.999   0.069   4.147
   55   2HB   TRP   6          1HB       TRP   6  -2.043  -0.677   2.938
   56    HD1  TRP   6           HD1      TRP   6  -1.909  -3.201   3.077
   57    HE1  TRP   6           HE1      TRP   6  -0.056  -4.938   3.518
   58    HE3  TRP   6           HE3      TRP   6   2.053  -0.083   3.888
   59    HZ2  TRP   6           HZ2      TRP   6   2.736  -4.998   4.134
   60    HZ3  TRP   6           HZ3      TRP   6   4.295  -1.004   4.399
   61    HH2  TRP   6           HH2      TRP   6   4.642  -3.456   4.523
   62    H    GLU   7           H        GLU   7  -1.805  -0.304   0.141
   63    HA   GLU   7           HA       GLU   7  -0.467  -2.590  -0.880
   64   1HB   GLU   7          2HB       GLU   7  -2.520  -0.640  -1.698
   65   2HB   GLU   7          1HB       GLU   7  -1.688  -1.410  -3.050
   66   1HG   GLU   7          2HG       GLU   7  -2.303  -3.590  -2.323
   67   2HG   GLU   7          1HG       GLU   7  -2.799  -3.003  -0.735
   68    H    GLY   8           H        GLY   8  -0.082   0.852  -1.655
   69   1HA   GLY   8          2HA       GLY   8   1.881   0.371  -3.745
   70   2HA   GLY   8          1HA       GLY   8   1.496   1.938  -3.033
   71    H    ILE   9           H        ILE   9   1.981   1.047  -0.287
   72    HA   ILE   9           HA       ILE   9   4.735   1.701  -0.015
   73    HB   ILE   9           HB       ILE   9   2.672   0.342   1.727
   74   1HG1  ILE   9          2HG1      ILE   9   3.942   3.089   1.601
   75   2HG1  ILE   9          1HG1      ILE   9   2.244   2.675   1.359
   76   1HG2  ILE   9          1HG2      ILE   9   4.273   0.712   3.620
   77   2HG2  ILE   9          2HG2      ILE   9   5.518   1.116   2.437
   78   3HG2  ILE   9          3HG2      ILE   9   4.829  -0.507   2.473
   79   1HD1  ILE   9          1HD1      ILE   9   2.322   3.513   3.571
   80   2HD1  ILE   9          2HD1      ILE   9   3.823   2.660   3.930
   81   3HD1  ILE   9          3HD1      ILE   9   2.315   1.762   3.772
   82    H    LYS  10           H        LYS  10   3.257  -1.496   0.677
   83    HA   LYS  10           HA       LYS  10   5.606  -3.004   0.881
   84   1HB   LYS  10          2HB       LYS  10   4.112  -4.896   0.234
   85   2HB   LYS  10          1HB       LYS  10   3.345  -3.807   1.389
   86   1HG   LYS  10          2HG       LYS  10   2.054  -2.749  -0.333
   87   2HG   LYS  10          1HG       LYS  10   2.978  -3.551  -1.604
   88   1HD   LYS  10          2HD       LYS  10   1.308  -5.027   0.451
   89   2HD   LYS  10          1HD       LYS  10   0.732  -4.604  -1.162
   90   1HE   LYS  10          2HE       LYS  10   3.186  -6.306  -0.583
   91   2HE   LYS  10          1HE       LYS  10   1.615  -6.920  -1.134
   92   1HZ   LYS  10          1HZ       LYS  10   2.564  -6.560  -3.151
   93   2HZ   LYS  10          2HZ       LYS  10   3.602  -5.341  -2.581
   94   3HZ   LYS  10          3HZ       LYS  10   1.969  -4.993  -2.890
   95    H    SER  11           H        SER  11   4.034  -1.767  -2.010
   96    HA   SER  11           HA       SER  11   5.501  -3.441  -3.888
   97   1HB   SER  11          2HB       SER  11   3.539  -1.245  -3.871
   98   2HB   SER  11          1HB       SER  11   4.637  -1.201  -5.247
   99    HG   SER  11           HG       SER  11   4.098  -3.576  -5.339
  100    H    LEU  12           H        LEU  12   6.083  -0.396  -2.255
  101    HA   LEU  12           HA       LEU  12   8.525   0.054  -3.928
  102   1HB   LEU  12          2HB       LEU  12   6.588   1.759  -2.408
  103   2HB   LEU  12          1HB       LEU  12   8.242   2.342  -2.597
  104    HG   LEU  12           HG       LEU  12   7.499   1.369  -5.132
  105   1HD1  LEU  12          1HD1      LEU  12   5.379   3.277  -4.139
  106   2HD1  LEU  12          2HD1      LEU  12   5.137   1.530  -4.108
  107   3HD1  LEU  12          3HD1      LEU  12   5.405   2.356  -5.643
  108   1HD2  LEU  12          1HD2      LEU  12   7.327   4.271  -4.345
  109   2HD2  LEU  12          2HD2      LEU  12   7.999   3.562  -5.813
  110   3HD2  LEU  12          3HD2      LEU  12   8.875   3.428  -4.288
  111    H    PHE  13           H        PHE  13   7.696   1.038  -0.617
  112    HA   PHE  13           HA       PHE  13  10.394   0.435   0.331
  113   1HB   PHE  13          2HB       PHE  13   8.353   2.148   1.009
  114   2HB   PHE  13          1HB       PHE  13   8.225   0.925   2.275
  115    HD1  PHE  13           HD1      PHE  13  11.250   2.095   0.433
  116    HD2  PHE  13           HD2      PHE  13   9.169   1.949   4.187
  117    HE1  PHE  13           HE1      PHE  13  13.230   3.054   1.565
  118    HE2  PHE  13           HE2      PHE  13  11.154   2.914   5.323
  119    HZ   PHE  13           HZ       PHE  13  13.185   3.466   4.012
  120   1HN   NH2  14          1HN       NH2  14   9.618  -0.590   2.971
  121   2HN   NH2  14          2HN       NH2  14   9.151  -2.209   2.771
  Start of MODEL   20
    1   1H    ILE   1          1H        ILE   1 -11.368  -2.390   4.566
    2   2H    ILE   1          2H        ILE   1 -11.829  -3.688   3.572
    3   3H    ILE   1          3H        ILE   1 -12.317  -2.107   3.189
    4    HA   ILE   1           HA       ILE   1 -10.366  -3.094   1.871
    5    HB   ILE   1           HB       ILE   1 -11.116  -0.790   1.758
    6   1HG1  ILE   1          2HG1      ILE   1  -8.209  -0.500   2.470
    7   2HG1  ILE   1          1HG1      ILE   1  -8.672  -1.506   1.098
    8   1HG2  ILE   1          1HG2      ILE   1 -11.412   0.241   3.751
    9   2HG2  ILE   1          2HG2      ILE   1  -9.688   0.608   3.686
   10   3HG2  ILE   1          3HG2      ILE   1 -10.254  -0.818   4.557
   11   1HD1  ILE   1          1HD1      ILE   1  -8.262   1.183   0.928
   12   2HD1  ILE   1          2HD1      ILE   1 -10.000   1.134   1.221
   13   3HD1  ILE   1          3HD1      ILE   1  -9.315   0.281  -0.163
   14    H    LEU   2           H        LEU   2  -8.193  -3.707   2.018
   15    HA   LEU   2           HA       LEU   2  -7.134  -4.214   4.719
   16   1HB   LEU   2          2HB       LEU   2  -6.672  -5.040   1.917
   17   2HB   LEU   2          1HB       LEU   2  -5.223  -4.998   2.921
   18    HG   LEU   2           HG       LEU   2  -6.236  -7.208   3.087
   19   1HD1  LEU   2          1HD1      LEU   2  -6.162  -7.384   5.409
   20   2HD1  LEU   2          2HD1      LEU   2  -7.055  -5.884   5.652
   21   3HD1  LEU   2          3HD1      LEU   2  -5.361  -5.831   5.164
   22   1HD2  LEU   2          1HD2      LEU   2  -8.615  -5.907   2.712
   23   2HD2  LEU   2          2HD2      LEU   2  -8.683  -6.245   4.442
   24   3HD2  LEU   2          3HD2      LEU   2  -8.482  -7.568   3.291
   25    H    GLY   3           H        GLY   3  -6.629  -1.932   2.105
   26   1HA   GLY   3          2HA       GLY   3  -5.447   0.134   3.361
   27   2HA   GLY   3          1HA       GLY   3  -4.085  -0.982   3.269
   28    H    LYS   4           H        LYS   4  -6.258   1.040   1.396
   29    HA   LYS   4           HA       LYS   4  -5.296   0.303  -1.218
   30   1HB   LYS   4          2HB       LYS   4  -7.015   2.283   0.072
   31   2HB   LYS   4          1HB       LYS   4  -6.116   2.976  -1.277
   32   1HG   LYS   4          2HG       LYS   4  -7.843   0.485  -1.373
   33   2HG   LYS   4          1HG       LYS   4  -8.231   2.050  -2.090
   34   1HD   LYS   4          2HD       LYS   4  -5.608   1.200  -2.951
   35   2HD   LYS   4          1HD       LYS   4  -6.790  -0.065  -3.289
   36   1HE   LYS   4          2HE       LYS   4  -8.133   2.256  -4.029
   37   2HE   LYS   4          1HE       LYS   4  -6.469   2.543  -4.577
   38   1HZ   LYS   4          1HZ       LYS   4  -8.205   0.217  -5.178
   39   2HZ   LYS   4          2HZ       LYS   4  -6.525   0.189  -5.427
   40   3HZ   LYS   4          3HZ       LYS   4  -7.495   1.295  -6.278
   41    H    ILE   5           H        ILE   5  -4.475   2.974   0.986
   42    HA   ILE   5           HA       ILE   5  -2.326   4.015  -0.649
   43    HB   ILE   5           HB       ILE   5  -3.191   4.260   2.241
   44   1HG1  ILE   5          2HG1      ILE   5  -4.584   5.238   0.370
   45   2HG1  ILE   5          1HG1      ILE   5  -4.007   6.421   1.542
   46   1HG2  ILE   5          1HG2      ILE   5  -1.090   5.956   0.872
   47   2HG2  ILE   5          2HG2      ILE   5  -0.686   4.591   1.913
   48   3HG2  ILE   5          3HG2      ILE   5  -1.551   5.979   2.574
   49   1HD1  ILE   5          1HD1      ILE   5  -2.034   6.066  -0.534
   50   2HD1  ILE   5          2HD1      ILE   5  -2.886   7.535  -0.061
   51   3HD1  ILE   5          3HD1      ILE   5  -3.597   6.448  -1.254
   52    H    TRP   6           H        TRP   6  -2.613   1.470   1.735
   53    HA   TRP   6           HA       TRP   6   0.246   1.254   2.299
   54   1HB   TRP   6          2HB       TRP   6  -1.309   0.534   3.962
   55   2HB   TRP   6          1HB       TRP   6  -2.225  -0.420   2.795
   56    HD1  TRP   6           HD1      TRP   6  -1.544  -2.868   2.471
   57    HE1  TRP   6           HE1      TRP   6   0.369  -4.357   3.350
   58    HE3  TRP   6           HE3      TRP   6   1.367   0.674   4.718
   59    HZ2  TRP   6           HZ2      TRP   6   2.812  -4.080   4.813
   60    HZ3  TRP   6           HZ3      TRP   6   3.479   0.035   5.846
   61    HH2  TRP   6           HH2      TRP   6   4.204  -2.335   5.896
   62    H    GLU   7           H        GLU   7  -1.995  -0.081  -0.057
   63    HA   GLU   7           HA       GLU   7  -0.596  -2.384  -0.911
   64   1HB   GLU   7          2HB       GLU   7  -2.749  -0.709  -1.733
   65   2HB   GLU   7          1HB       GLU   7  -1.710  -0.948  -3.138
   66   1HG   GLU   7          2HG       GLU   7  -1.726  -3.461  -2.392
   67   2HG   GLU   7          1HG       GLU   7  -3.180  -3.000  -1.506
   68    H    GLY   8           H        GLY   8  -0.170   1.015  -1.857
   69   1HA   GLY   8          2HA       GLY   8   1.981   0.395  -3.731
   70   2HA   GLY   8          1HA       GLY   8   1.485   2.011  -3.224
   71    H    ILE   9           H        ILE   9   1.707   1.261  -0.348
   72    HA   ILE   9           HA       ILE   9   4.383   2.124   0.146
   73    HB   ILE   9           HB       ILE   9   2.219   0.770   1.765
   74   1HG1  ILE   9          2HG1      ILE   9   3.378   3.576   1.731
   75   2HG1  ILE   9          1HG1      ILE   9   1.828   3.092   1.043
   76   1HG2  ILE   9          1HG2      ILE   9   4.145   0.094   2.948
   77   2HG2  ILE   9          2HG2      ILE   9   3.681   1.596   3.745
   78   3HG2  ILE   9          3HG2      ILE   9   5.005   1.589   2.580
   79   1HD1  ILE   9          1HD1      ILE   9   1.060   3.779   3.095
   80   2HD1  ILE   9          2HD1      ILE   9   2.602   3.468   3.892
   81   3HD1  ILE   9          3HD1      ILE   9   1.505   2.132   3.541
   82    H    LYS  10           H        LYS  10   2.954  -1.118   0.737
   83    HA   LYS  10           HA       LYS  10   5.400  -2.449   1.324
   84   1HB   LYS  10          2HB       LYS  10   4.055  -4.464   0.888
   85   2HB   LYS  10          1HB       LYS  10   3.089  -3.270   1.755
   86   1HG   LYS  10          2HG       LYS  10   1.841  -2.706  -0.148
   87   2HG   LYS  10          1HG       LYS  10   3.065  -3.332  -1.252
   88   1HD   LYS  10          2HD       LYS  10   2.106  -5.415   0.531
   89   2HD   LYS  10          1HD       LYS  10   0.775  -4.684  -0.368
   90   1HE   LYS  10          2HE       LYS  10   3.325  -5.820  -1.576
   91   2HE   LYS  10          1HE       LYS  10   1.703  -6.531  -1.687
   92   1HZ   LYS  10          1HZ       LYS  10   1.643  -5.274  -3.560
   93   2HZ   LYS  10          2HZ       LYS  10   2.775  -4.144  -2.984
   94   3HZ   LYS  10          3HZ       LYS  10   1.160  -4.074  -2.463
   95    H    SER  11           H        SER  11   4.013  -1.441  -1.717
   96    HA   SER  11           HA       SER  11   5.671  -3.241  -3.349
   97   1HB   SER  11          2HB       SER  11   3.383  -2.495  -3.972
   98   2HB   SER  11          1HB       SER  11   3.954  -0.830  -4.034
   99    HG   SER  11           HG       SER  11   4.800  -1.222  -5.916
  100    H    LEU  12           H        LEU  12   5.885  -0.023  -2.007
  101    HA   LEU  12           HA       LEU  12   8.005   0.869  -3.838
  102   1HB   LEU  12          2HB       LEU  12   6.293   2.363  -2.817
  103   2HB   LEU  12          1HB       LEU  12   6.948   1.991  -1.222
  104    HG   LEU  12           HG       LEU  12   8.814   2.989  -3.342
  105   1HD1  LEU  12          1HD1      LEU  12   7.098   4.806  -1.626
  106   2HD1  LEU  12          2HD1      LEU  12   6.794   4.499  -3.336
  107   3HD1  LEU  12          3HD1      LEU  12   8.286   5.296  -2.834
  108   1HD2  LEU  12          1HD2      LEU  12  10.108   2.720  -1.493
  109   2HD2  LEU  12          2HD2      LEU  12   8.710   2.653  -0.420
  110   3HD2  LEU  12          3HD2      LEU  12   9.358   4.213  -0.929
  111    H    PHE  13           H        PHE  13   7.764  -0.767  -0.762
  112    HA   PHE  13           HA       PHE  13  10.714  -1.062  -0.688
  113   1HB   PHE  13          2HB       PHE  13   9.529   1.014   0.639
  114   2HB   PHE  13          1HB       PHE  13   9.491  -0.239   1.882
  115    HD1  PHE  13           HD1      PHE  13  11.978   0.295  -0.848
  116    HD2  PHE  13           HD2      PHE  13  11.222   0.354   3.380
  117    HE1  PHE  13           HE1      PHE  13  14.390   0.635  -0.423
  118    HE2  PHE  13           HE2      PHE  13  13.642   0.699   3.806
  119    HZ   PHE  13           HZ       PHE  13  15.227   0.840   1.903
  120   1HN   NH2  14          1HN       NH2  14   9.394  -3.280  -1.221
  121   2HN   NH2  14          2HN       NH2  14   9.052  -4.235   0.140