*HEADER    RIBOSOME                                10-APR-03   1P0L              
*TITLE     HP (2-20) SUBSTITUTION GLN TO TRP MODIFICATION IN SDS-D25             
*TITLE    2 MICELLES                                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 19-MER PEPTIDE FROM 50S RIBOSOMAL PROTEIN L1;              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: RIBOSOMAL PROTEIN L1;                                       
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS PEPTIDE WAS CHEMICALLY SYNTHESIZED.              
*SOURCE   4 THE SEQUENCE FOR THIS PEPTIDE WHICH N-TERMINUS OF                    
*SOURCE   5 HELICOBACTER PYLORI RIBOSOMAL PROTEIN L1                             
*KEYWDS    COIL-HELIX-COIL                                                       
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    K.H.LEE, D.G.LEE, Y.K.PARK, K.S.HARM, Y.M.KIM                         
*REVDAT   1   20-MAY-03 1P0L    0                                                

set message=off echo=off end
! HP(anal3) IN 150mM SDS
! ---------- Created by Kwanghwan Lee (01/9/02) ----------
! S:1.8-2.7(2.5) ; M:1.8-3.3(3.0) ; W:1.8-5.0(4.0) 
! add pseudoatom correction(m=1.0,r=2.0,+=0.5)
! NH(i)-NH(i+1) NOE
assign (resid    2 and  name HN   )(resid    3 and  name HN   ) 3.0 1.2 0.3 !M
assign (resid    3 and  name HN   )(resid    4 and  name HN   ) 4.0 2.2 1.0 !W
assign (resid    4 and  name HN   )(resid    5 and  name HN   ) 4.0 2.2 1.0 !W
assign (resid    5 and  name HN   )(resid    6 and  name HN   ) 4.0 2.2 1.0 !W
assign (resid    6 and  name HN   )(resid    7 and  name HN   ) 4.0 2.2 1.0 !W
assign (resid    7 and  name HN   )(resid    8 and  name HN   ) 4.0 2.2 1.0 !W
assign (resid    8 and  name HN   )(resid    9 and  name HN   ) 3.0 1.2 0.3 !M
assign (resid    9 and  name HN   )(resid   10 and  name HN   ) 3.0 1.2 0.3 !M
assign (resid   10 and  name HN   )(resid   11 and  name HN   ) 4.0 2.2 1.0 !W
assign (resid   12 and  name HN   )(resid   11 and  name HN   ) 3.0 1.2 0.8 !M+
assign (resid   13 and  name HN   )(resid   12 and  name HN   ) 3.0 1.2 0.8 !M+
assign (resid   14 and  name HN   )(resid   13 and  name HN   ) 3.0 1.2 0.3 !M
assign (resid   15 and  name HN   )(resid   14 and  name HN   ) 3.0 1.2 0.3 !M
assign (resid   16 and  name HN   )(resid   15 and  name HN   ) 3.0 1.2 0.3 !M
assign (resid   17 and  name HN   )(resid   16 and  name HN   ) 3.0 1.2 0.3 !M
assign (resid   18 and  name HN   )(resid   17 and  name HN   ) 4.0 2.2 1.0 !W
assign (resid   19 and  name HN   )(resid   18 and  name HN   ) 3.0 1.2 0.3 !M
! CaH(i)-NH(i+1) NOE
assign (resid    3 and  name HN   )(resid    2 and  name HA   ) 2.5 0.7 0.2 !S
assign (resid    4 and  name HN   )(resid    3 and  name HA   ) 2.5 0.7 0.2 !S
assign (resid    5 and  name HN   )(resid    4 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid    6 and  name HN   )(resid    5 and  name HA   ) 2.5 0.7 0.7 !S+
assign (resid    7 and  name HN   )(resid    6 and  name HA   ) 3.0 1.2 0.8 !M+
assign (resid    8 and  name HN   )(resid    7 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid    9 and  name HN   )(resid    8 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   10 and  name HN   )(resid    9 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   11 and  name HN   )(resid   10 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   12 and  name HN   )(resid   11 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   13 and  name HN   )(resid   12 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   14 and  name HN   )(resid   13 and  name HA   ) 3.0 1.2 0.8 !M+
assign (resid   15 and  name HN   )(resid   14 and  name HA   ) 3.0 1.2 0.8 !M+
assign (resid   16 and  name HN   )(resid   15 and  name HA   ) 4.0 2.2 1.0 !W 
assign (resid   17 and  name HN   )(resid   16 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   18 and  name HN   )(resid   17 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   19 and  name HN   )(resid   18 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   20 and  name HN   )(resid   19 and  name HA   ) 4.0 2.2 1.0 !W
! CbgdH(i)-NH(i+1) NOE
assign (resid    4 and  name HN   )(resid    3 and  name HB1  ) 4.0 2.2 1.0 !W 
assign (resid    4 and  name HN   )(resid    3 and  name HB2  ) 4.0 2.2 1.0 !W 
assign (resid    4 and  name HN   )(resid    3 and  name HD#  ) 4.0 2.2 2.5 !Wm+ 
assign (resid    4 and  name HN   )(resid    3 and  name HG#  ) 4.0 2.2 2.0 !Wm
assign (resid    5 and  name HN   )(resid    4 and  name HB   ) 4.0 2.2 1.0 !W
assign (resid    5 and  name HN   )(resid    4 and  name HG1# ) 3.0 1.2 1.8 !Mm+
assign (resid    5 and  name HN   )(resid    4 and  name HG2# ) 3.0 1.2 1.8 !Mm+
assign (resid    6 and  name HN   )(resid    5 and  name HB1  ) 4.0 2.2 1.5 !W+
assign (resid    6 and  name HN   )(resid    5 and  name HB2  ) 4.0 2.2 1.0 !W
assign (resid    7 and  name HN   )(resid    6 and  name HG#  ) 4.0 2.2 2.0 !Wm
assign (resid    9 and  name HN   )(resid    8 and  name HB#  ) 4.0 2.2 2.0 !Wm
assign (resid    9 and  name HN   )(resid    8 and  name HG   ) 4.0 2.2 1.0 !W
assign (resid    9 and  name HN   )(resid    8 and  name HB#  ) 4.0 2.2 2.0 !Wm
assign (resid    9 and  name HN   )(resid    8 and  name HD#  ) 4.0 2.2 3.0 !Wr
assign (resid   10 and  name HN   )(resid    9 and  name HG#  ) 4.0 2.2 2.0 !Wm
assign (resid   11 and  name HN   )(resid   10 and  name HG#  ) 4.0 2.2 2.0 !Wm
assign (resid   13 and  name HN   )(resid   12 and  name HB1  ) 4.0 2.2 1.0 !W
assign (resid   13 and  name HN   )(resid   12 and  name HB2  ) 4.0 2.2 1.0 !W
assign (resid   17 and  name HN   )(resid   16 and  name HB1  ) 4.0 2.2 1.0 !W
! (i)-(i+2) NOE
assign (resid    5 and  name HN   )(resid    3 and  name HA   ) 4.0 2.2 1.5 !W+
assign (resid    7 and  name HN   )(resid    5 and  name HA   ) 4.0 2.2 1.5 !W+
assign (resid   12 and  name HN   )(resid   10 and  name HA   ) 4.0 2.2 1.5 !W+
assign (resid   14 and  name HN   )(resid   12 and  name HA   ) 4.0 2.2 1.5 !W+

!
assign (resid    3 and  name HA   )(resid    5 and  name HB1  ) 3.0 1.2 0.3 !M
assign (resid    3 and  name HA   )(resid    5 and  name HB2  ) 3.0 1.2 0.3 !M
! (i)-(i+3) NOE
!assign (resid    6 and  name HN   )(resid    3 and  name HA   ) 4.0 2.2 1.0 !W(OL)
assign (resid    7 and  name HN   )(resid    4 and  name HA   ) 3.0 1.2 0.3 !M
assign (resid    8 and  name HN   )(resid    5 and  name HA   ) 3.0 1.2 0.3 !M(OL)
assign (resid    9 and  name HN   )(resid    6 and  name HA   ) 3.0 1.2 0.3 !M(OL)
assign (resid   10 and  name HN   )(resid    7 and  name HA   ) 3.0 1.2 0.3 !M
assign (resid   11 and  name HN   )(resid    8 and  name HA   ) 3.0 1.2 0.3 !M(OL)
assign (resid   12 and  name HN   )(resid    9 and  name HA   ) 3.0 1.2 0.3 !M
assign (resid   13 and  name HN   )(resid   10 and  name HA   ) 3.0 1.2 0.3 !M(OL)
assign (resid   14 and  name HN   )(resid   11 and  name HA   ) 3.0 1.2 0.3 !M(OL)
assign (resid   15 and  name HN   )(resid   12 and  name HA   ) 3.0 1.2 0.3 !M
assign (resid   16 and  name HN   )(resid   13 and  name HA   ) 3.0 1.2 0.3 !M
assign (resid   17 and  name HN   )(resid   14 and  name HA   ) 3.0 1.2 0.3 !M%
assign (resid   18 and  name HN   )(resid   15 and  name HA   ) 3.0 1.2 0.3 !M%
assign (resid   19 and  name HN   )(resid   16 and  name HA   ) 3.0 1.2 0.3 !M
!
assign (resid    7 and  name HN   )(resid    4 and  name HG1# ) 4.0 2.2 3.0 !Wr
assign (resid   10 and  name HN   )(resid    7 and  name HB1  ) 4.0 2.2 1.0 !W
! (i)-(i+4) NOE
assign (resid   13 and  name HN   )(resid    9 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   11 and  name HN   )(resid    7 and  name HB1  ) 4.0 2.2 1.0 !W
! CaH(i)-CbH(i+3)
assign (resid    5 and  name HA   )(resid    8 and  name HB1  ) 4.0 2.2 1.0 !W
assign (resid    6 and  name HA   )(resid    9 and  name HB1  ) 4.0 2.2 1.0 !W
assign (resid    6 and  name HA   )(resid    9 and  name HB1  ) 4.0 2.2 1.0 !W
assign (resid    6 and  name HA   )(resid    9 and  name HG#  ) 4.0 2.2 2.0 !Wm
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 HB1  ) 4.0 2.2 1.5 !W+
assign (resid    9 and  name HA   )(resid   12 and  name HB2  ) 4.0 2.2 1.0 !W
assign (resid   12 and  name HA   )(resid   15 and  name HG12 ) 4.0 2.2 1.0 !W
assign (resid   12 and  name HA   )(resid   15 and  name HG2# ) 4.0 2.2 2.0 !Wm
assign (resid   14 and  name HA   )(resid   17 and  name HB#  ) 4.0 2.2 2.0 !Wm
assign (resid   15 and  name HA   )(resid   18 and  name HB1  ) 4.0 2.2 1.5 !W+
assign (resid   16 and  name HA   )(resid   19 and  name HB1  ) 4.0 2.2 1.5 !W+
!intra
assign (resid    2 and  name HN   )(resid    2 and  name HB1  ) 3.0 1.2 0.3 !M
assign (resid    2 and  name HN   )(resid    2 and  name HB2  ) 4.0 2.2 1.0 !W
assign (resid    2 and  name HN   )(resid    2 and  name HD#  ) 4.0 2.2 2.0 !Wm
assign (resid    2 and  name HN   )(resid    2 and  name HG#  ) 4.0 2.2 2.0 !Wm
assign (resid    3 and  name HN   )(resid    3 and  name HB1  ) 3.0 1.2 0.3 !M
assign (resid    3 and  name HN   )(resid    3 and  name HB2  ) 4.0 2.2 1.0 !W
assign (resid    3 and  name HN   )(resid    3 and  name HD#  ) 4.0 2.2 2.0 !Wm
assign (resid    3 and  name HN   )(resid    3 and  name HG#  ) 4.0 2.2 2.0 !Wm
assign (resid    4 and  name HN   )(resid    4 and  name HB   ) 2.5 0.7 0.7 !S+
assign (resid    4 and  name HN   )(resid    4 and  name HG1# ) 2.5 0.7 2.2 !Sr
assign (resid    4 and  name HN   )(resid    4 and  name HG2# ) 2.5 0.7 2.2 !Sr
assign (resid    5 and  name HN   )(resid    5 and  name HB1  ) 3.0 1.2 0.3 !M
assign (resid    5 and  name HN   )(resid    5 and  name HB2  ) 3.0 1.2 0.3 !M
assign (resid    6 and  name HN   )(resid    6 and  name HB1  ) 3.0 1.2 0.3 !M
assign (resid    6 and  name HN   )(resid    6 and  name HB2  ) 3.0 1.2 0.3 !M
assign (resid    6 and  name HN   )(resid    6 and  name HD#  ) 4.0 2.2 2.0 !Wm
assign (resid    6 and  name HN   )(resid    6 and  name HG#  ) 4.0 2.2 2.0 !Wm
assign (resid    7 and  name HN   )(resid    7 and  name HB1  ) 4.0 2.2 1.0 !W
assign (resid    7 and  name HN   )(resid    7 and  name HB2  ) 4.0 2.2 1.0 !W
assign (resid    7 and  name HN   )(resid    7 and  name HG#  ) 3.0 1.2 1.3 !Mm
assign (resid    8 and  name HN   )(resid    8 and  name HB#  ) 3.0 1.2 1.3 !Mm
assign (resid    8 and  name HN   )(resid    8 and  name HG   ) 4.0 2.2 1.0 !W
assign (resid    8 and  name HN   )(resid    8 and  name HD#  ) 4.0 2.2 2.0 !Wm
assign (resid    9 and  name HN   )(resid    9 and  name HB1  ) 4.0 2.2 1.0 !W
assign (resid    9 and  name HN   )(resid    9 and  name HB2  ) 4.0 2.2 1.0 !W
assign (resid    9 and  name HN   )(resid    9 and  name HG#  ) 2.5 0.7 1.2 !Sm
assign (resid   10 and  name HN   )(resid   10 and  name HB1  ) 4.0 2.2 1.0 !W
assign (resid   10 and  name HN   )(resid   10 and  name HB2  ) 4.0 2.2 1.0 !W
assign (resid   10 and  name HN   )(resid   10 and  name HD#  ) 4.0 2.2 2.0 !Wm
assign (resid   10 and  name HN   )(resid   10 and  name HG#  ) 4.0 2.2 2.0 !Wm
assign (resid   11 and  name HN   )(resid   11 and  name HB#  ) 3.0 1.2 1.3 !Mm
assign (resid   11 and  name HN   )(resid   11 and  name HG   ) 4.0 2.2 1.0 !W
assign (resid   11 and  name HN   )(resid   11 and  name HD#  ) 4.0 2.2 2.0 !Wm
assign (resid   12 and  name HN   )(resid   12 and  name HB1  ) 2.5 0.7 0.7 !S+
assign (resid   12 and  name HN   )(resid   12 and  name HB2  ) 2.5 0.7 0.7 !S+
assign (resid   14 and  name HN   )(resid   14 and  name HB1  ) 4.0 2.2 1.0 !W
assign (resid   14 and  name HN   )(resid   14 and  name HB2  ) 4.0 2.2 1.0 !W
assign (resid   14 and  name HN   )(resid   14 and  name HD#  ) 4.0 2.2 2.0 !Wm
assign (resid   14 and  name HN   )(resid   14 and  name HG#  ) 4.0 2.2 2.0 !Wm
assign (resid   15 and  name HN   )(resid   15 and  name HB   ) 3.0 1.2 0.3 !M
assign (resid   15 and  name HN   )(resid   15 and  name HG11 ) 3.0 1.2 0.3 !M
assign (resid   15 and  name HN   )(resid   15 and  name HG12 ) 3.0 1.2 0.3 !M
assign (resid   15 and  name HN   )(resid   15 and  name HG2# ) 3.0 1.2 1.3 !Mm
assign (resid   15 and  name HN   )(resid   15 and  name HD1# ) 3.0 1.2 1.3 !Mm
assign (resid   17 and  name HN   )(resid   17 and  name HB#  ) 2.5 0.7 1.2 !Sm
assign (resid   18 and  name HN   )(resid   18 and  name HB1  ) 4.0 2.2 1.0 !W
assign (resid   18 and  name HN   )(resid   18 and  name HB2  ) 4.0 2.2 1.0 !W
set message=on echo=on end

set message=off echo=off end
restraints dihedral reset
! HP IN SDS
!!
!!Phi
  !!    2
 assign (resid   1 and name c )   (resid   2 and name n ) 
        (resid   2 and name ca)   (resid   2 and name c )  1.0 -70.0 30.0 2
  !!    4
 assign (resid   3 and name c )   (resid   4 and name n ) 
        (resid   4 and name ca)   (resid   4 and name c )  1.0 -90.0 50.0 2
  !!    6
 assign (resid   5 and name c )   (resid   6 and name n ) 
        (resid   6 and name ca)   (resid   6 and name c )  1.0 -60.0 25.0 2
  !!    7
 assign (resid   6 and name c )   (resid   7 and name n ) 
        (resid   7 and name ca)   (resid   7 and name c )  1.0 -60.0 25.0 2
  !!    8
 assign (resid   7 and name c )   (resid   8 and name n ) 
        (resid   8 and name ca)   (resid   8 and name c )  1.0 -60.0 25.0 2
  !!    9
 assign (resid   8 and name c )   (resid   9 and name n ) 
        (resid   9 and name ca)   (resid   9 and name c )  1.0 -60.0 25.0 2
  !!    10
 assign (resid    9 and name c )   (resid   10 and name n )
        (resid   10 and name ca)   (resid   10 and name c )  1.0 -50.0 20.0 2
  !!    11
 assign (resid   10 and name c )   (resid   11 and name n )
        (resid   11 and name ca)   (resid   11 and name c )  1.0 -50.0 20.0 2
  !!    12 
 assign (resid   11 and name c )   (resid   12 and name n ) 
        (resid   12 and name ca)   (resid   12 and name c )  1.0 -60.0 25.0 2
  !!    13 
 assign (resid   12 and name c )   (resid   13 and name n ) 
        (resid   13 and name ca)   (resid   13 and name c )  1.0 -60.0 25.0 2
  !!    14 
 assign (resid   13 and name c )   (resid   14 and name n ) 
        (resid   14 and name ca)   (resid   14 and name c )  1.0 -60.0 25.0 2
  !!    15 
 assign (resid   14 and name c )   (resid   15 and name n ) 
        (resid   15 and name ca)   (resid   15 and name c )  1.0 -60.0 25.0 2
  !!    17 
 assign (resid   16 and name c )   (resid   17 and name n ) 
        (resid   17 and name ca)   (resid   17 and name c )  1.0 -60.0 25.0 2
  !!    18 
 assign (resid   17 and name c )   (resid   18 and name n ) 
        (resid   18 and name ca)   (resid   18 and name c )  1.0 -60.0 25.0 2
  !!    19 
 assign (resid   18 and name c )   (resid   19 and name n ) 
        (resid   19 and name ca)   (resid   19 and name c )  1.0 -60.0 25.0 2
 
end
set message=on echo=on end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1          HT1       ALA   1  -6.908   5.432 -14.208
    2   2H    ALA   1          HT2       ALA   1  -6.143   5.784 -15.703
    3   3H    ALA   1          HT3       ALA   1  -7.103   6.976 -14.926
    4    HA   ALA   1           HA       ALA   1  -4.627   5.812 -13.849
    5   1HB   ALA   1          HB1       ALA   1  -4.819   8.637 -14.746
    6   2HB   ALA   1          HB2       ALA   1  -4.633   7.384 -15.974
    7   3HB   ALA   1          HB3       ALA   1  -3.427   7.555 -14.698
    8    H    LYS   2           HN       LYS   2  -6.428   5.605 -12.076
    9    HA   LYS   2           HA       LYS   2  -7.006   8.080 -10.696
   10   1HB   LYS   2          HB2       LYS   2  -8.058   5.420 -10.710
   11   2HB   LYS   2          HB1       LYS   2  -7.620   5.842  -9.060
   12   1HG   LYS   2          HG2       LYS   2  -9.017   7.799  -9.137
   13   2HG   LYS   2          HG1       LYS   2  -9.372   7.520 -10.843
   14   1HD   LYS   2          HD2       LYS   2 -10.037   5.539  -8.674
   15   2HD   LYS   2          HD1       LYS   2 -11.158   6.789  -9.216
   16   1HE   LYS   2          HE2       LYS   2  -9.939   5.170 -11.350
   17   2HE   LYS   2          HE1       LYS   2 -11.023   4.298 -10.268
   18   1HZ   LYS   2          HZ1       LYS   2 -11.971   5.454 -12.353
   19   2HZ   LYS   2          HZ2       LYS   2 -11.866   6.868 -11.431
   20   3HZ   LYS   2          HZ3       LYS   2 -12.816   5.576 -10.892
   21    H    LYS   3           HN       LYS   3  -4.280   6.303 -10.917
   22    HA   LYS   3           HA       LYS   3  -2.469   5.854  -9.584
   23   1HB   LYS   3          HB2       LYS   3  -1.643   7.792  -8.377
   24   2HB   LYS   3          HB1       LYS   3  -2.336   8.305  -9.909
   25   1HG   LYS   3          HG2       LYS   3  -4.322   9.093  -8.808
   26   2HG   LYS   3          HG1       LYS   3  -3.764   8.447  -7.263
   27   1HD   LYS   3          HD2       LYS   3  -2.953  10.508  -6.913
   28   2HD   LYS   3          HD1       LYS   3  -1.663  10.028  -8.017
   29   1HE   LYS   3          HE2       LYS   3  -4.177  11.551  -8.682
   30   2HE   LYS   3          HE1       LYS   3  -2.518  12.148  -8.733
   31   1HZ   LYS   3          HZ1       LYS   3  -3.627  10.006 -10.468
   32   2HZ   LYS   3          HZ2       LYS   3  -2.049  10.613 -10.530
   33   3HZ   LYS   3          HZ3       LYS   3  -3.354  11.608 -10.940
   34    H    VAL   4           HN       VAL   4  -4.798   4.644  -8.646
   35    HA   VAL   4           HA       VAL   4  -5.053   4.941  -5.816
   36    HB   VAL   4           HB       VAL   4  -6.815   3.829  -7.127
   37   1HG1  VAL   4          HG11      VAL   4  -5.606   2.729  -8.839
   38   2HG1  VAL   4          HG12      VAL   4  -6.382   1.462  -7.889
   39   3HG1  VAL   4          HG13      VAL   4  -4.664   1.798  -7.674
   40   1HG2  VAL   4          HG21      VAL   4  -7.398   2.338  -5.497
   41   2HG2  VAL   4          HG22      VAL   4  -6.104   3.197  -4.662
   42   3HG2  VAL   4          HG23      VAL   4  -5.784   1.632  -5.409
   43    H    PHE   5           HN       PHE   5  -2.712   3.808  -7.872
   44    HA   PHE   5           HA       PHE   5  -1.488   1.651  -6.827
   45   1HB   PHE   5          HB2       PHE   5  -0.836   2.955  -8.855
   46   2HB   PHE   5          HB1       PHE   5  -0.120   4.160  -7.796
   47    HD1  PHE   5           HD1      PHE   5   1.925   3.674  -6.556
   48    HD2  PHE   5           HD2      PHE   5   0.239   0.836  -9.242
   49    HE1  PHE   5           HE1      PHE   5   4.042   2.419  -6.553
   50    HE2  PHE   5           HE2      PHE   5   2.352  -0.425  -9.243
   51    HZ   PHE   5           HZ       PHE   5   4.257   0.366  -7.897
   52    H    LYS   6           HN       LYS   6  -1.668   4.777  -5.465
   53    HA   LYS   6           HA       LYS   6   0.469   4.550  -3.613
   54   1HB   LYS   6          HB2       LYS   6  -0.879   6.658  -4.388
   55   2HB   LYS   6          HB1       LYS   6  -1.960   6.226  -3.070
   56   1HG   LYS   6          HG2       LYS   6   0.827   6.230  -2.258
   57   2HG   LYS   6          HG1       LYS   6   0.300   7.791  -2.889
   58   1HD   LYS   6          HD2       LYS   6  -1.749   7.457  -1.345
   59   2HD   LYS   6          HD1       LYS   6  -0.744   6.251  -0.539
   60   1HE   LYS   6          HE2       LYS   6   0.192   7.891   0.631
   61   2HE   LYS   6          HE1       LYS   6   0.882   8.512  -0.867
   62   1HZ   LYS   6          HZ1       LYS   6  -1.208   9.774  -1.185
   63   2HZ   LYS   6          HZ2       LYS   6  -0.339  10.248   0.186
   64   3HZ   LYS   6          HZ3       LYS   6  -1.714   9.277   0.351
   65    H    ARG   7           HN       ARG   7  -2.974   3.802  -3.496
   66    HA   ARG   7           HA       ARG   7  -3.126   3.181  -0.755
   67   1HB   ARG   7          HB2       ARG   7  -4.773   2.694  -3.155
   68   2HB   ARG   7          HB1       ARG   7  -4.985   1.527  -1.857
   69   1HG   ARG   7          HG2       ARG   7  -5.093   4.458  -1.285
   70   2HG   ARG   7          HG1       ARG   7  -6.498   3.615  -1.942
   71   1HD   ARG   7          HD2       ARG   7  -5.553   2.006   0.148
   72   2HD   ARG   7          HD1       ARG   7  -5.482   3.661   0.751
   73    HE   ARG   7           HE       ARG   7  -7.774   3.732   0.751
   74   1HH1  ARG   7          HH11      ARG   7  -6.718   0.941  -1.059
   75   2HH1  ARG   7          HH12      ARG   7  -8.307   0.266  -1.186
   76   1HH2  ARG   7          HH21      ARG   7  -9.865   2.845   0.585
   77   2HH2  ARG   7          HH22      ARG   7 -10.094   1.347  -0.254
   78    H    LEU   8           HN       LEU   8  -2.132   1.331  -3.572
   79    HA   LEU   8           HA       LEU   8  -2.068  -1.211  -2.357
   80   1HB   LEU   8          HB2       LEU   8  -1.335  -0.061  -4.863
   81   2HB   LEU   8          HB1       LEU   8   0.022  -1.009  -4.286
   82    HG   LEU   8           HG       LEU   8  -1.413  -2.982  -4.095
   83   1HD1  LEU   8          HD11      LEU   8  -3.489  -1.376  -3.789
   84   2HD1  LEU   8          HD12      LEU   8  -3.665  -3.007  -4.439
   85   3HD1  LEU   8          HD13      LEU   8  -3.627  -1.622  -5.530
   86   1HD2  LEU   8          HD21      LEU   8  -1.824  -3.329  -6.497
   87   2HD2  LEU   8          HD22      LEU   8  -0.241  -2.618  -6.183
   88   3HD2  LEU   8          HD23      LEU   8  -1.559  -1.608  -6.776
   89    H    GLU   9           HN       GLU   9   0.326   1.379  -2.602
   90    HA   GLU   9           HA       GLU   9   2.434  -0.077  -1.373
   91   1HB   GLU   9          HB2       GLU   9   1.947   2.885  -1.719
   92   2HB   GLU   9          HB1       GLU   9   3.406   2.233  -0.984
   93   1HG   GLU   9          HG2       GLU   9   3.957   1.072  -3.035
   94   2HG   GLU   9          HG1       GLU   9   2.457   1.630  -3.776
   95    H    LYS  10           HN       LYS  10  -0.258   1.795  -0.196
   96    HA   LYS  10           HA       LYS  10   0.679   2.080   2.478
   97   1HB   LYS  10          HB2       LYS  10  -1.571   2.923   0.973
   98   2HB   LYS  10          HB1       LYS  10  -2.191   2.024   2.351
   99   1HG   LYS  10          HG2       LYS  10  -2.032   3.968   3.433
  100   2HG   LYS  10          HG1       LYS  10  -0.309   3.599   3.529
  101   1HD   LYS  10          HD2       LYS  10  -0.013   4.816   1.362
  102   2HD   LYS  10          HD1       LYS  10  -1.703   5.312   1.477
  103   1HE   LYS  10          HE2       LYS  10   0.145   5.821   3.766
  104   2HE   LYS  10          HE1       LYS  10   0.199   6.877   2.355
  105   1HZ   LYS  10          HZ1       LYS  10  -2.416   6.808   2.806
  106   2HZ   LYS  10          HZ2       LYS  10  -1.391   7.963   3.497
  107   3HZ   LYS  10          HZ3       LYS  10  -1.857   6.605   4.391
  108    H    LEU  11           HN       LEU  11  -1.125  -0.352   0.716
  109    HA   LEU  11           HA       LEU  11  -1.922  -1.847   2.996
  110   1HB   LEU  11          HB2       LEU  11  -3.054  -2.030   0.817
  111   2HB   LEU  11          HB1       LEU  11  -1.603  -2.740   0.134
  112    HG   LEU  11           HG       LEU  11  -2.722  -4.119   2.499
  113   1HD1  LEU  11          HD11      LEU  11  -4.213  -3.777  -0.057
  114   2HD1  LEU  11          HD12      LEU  11  -4.816  -3.888   1.597
  115   3HD1  LEU  11          HD13      LEU  11  -4.259  -5.339   0.762
  116   1HD2  LEU  11          HD21      LEU  11  -0.820  -5.081   1.470
  117   2HD2  LEU  11          HD22      LEU  11  -1.523  -4.925  -0.140
  118   3HD2  LEU  11          HD23      LEU  11  -2.195  -6.083   1.007
  119    H    PHE  12           HN       PHE  12   0.986  -1.560   1.242
  120    HA   PHE  12           HA       PHE  12   2.101  -4.090   2.008
  121   1HB   PHE  12          HB2       PHE  12   2.787  -2.090   0.186
  122   2HB   PHE  12          HB1       PHE  12   4.065  -2.027   1.396
  123    HD1  PHE  12           HD1      PHE  12   3.516  -3.207  -1.674
  124    HD2  PHE  12           HD2      PHE  12   4.546  -4.715   2.170
  125    HE1  PHE  12           HE1      PHE  12   4.602  -5.146  -2.730
  126    HE2  PHE  12           HE2      PHE  12   5.635  -6.656   1.120
  127    HZ   PHE  12           HZ       PHE  12   5.665  -6.873  -1.333
  128    H    SER  13           HN       SER  13   2.112  -0.811   3.258
  129    HA   SER  13           HA       SER  13   4.108  -1.214   5.233
  130   1HB   SER  13          HB2       SER  13   1.826   0.779   5.151
  131   2HB   SER  13          HB1       SER  13   3.193   0.849   6.262
  132    HG   SER  13           HG       SER  13   3.820   2.119   4.626
  133    H    LYS  14           HN       LYS  14   0.690  -1.872   5.053
  134    HA   LYS  14           HA       LYS  14   0.223  -2.229   7.824
  135   1HB   LYS  14          HB2       LYS  14  -1.189  -3.073   5.318
  136   2HB   LYS  14          HB1       LYS  14  -1.693  -3.742   6.864
  137   1HG   LYS  14          HG2       LYS  14  -2.600  -1.797   7.569
  138   2HG   LYS  14          HG1       LYS  14  -1.400  -0.807   6.734
  139   1HD   LYS  14          HD2       LYS  14  -2.527  -0.957   4.691
  140   2HD   LYS  14          HD1       LYS  14  -3.469  -2.356   5.211
  141   1HE   LYS  14          HE2       LYS  14  -3.823   0.106   6.795
  142   2HE   LYS  14          HE1       LYS  14  -4.430   0.160   5.141
  143   1HZ   LYS  14          HZ1       LYS  14  -5.119  -1.986   7.069
  144   2HZ   LYS  14          HZ2       LYS  14  -5.824  -1.699   5.559
  145   3HZ   LYS  14          HZ3       LYS  14  -6.069  -0.607   6.827
  146    H    ILE  15           HN       ILE  15   1.465  -4.292   5.279
  147    HA   ILE  15           HA       ILE  15   1.254  -6.748   6.680
  148    HB   ILE  15           HB       ILE  15   3.294  -6.046   4.566
  149   1HG1  ILE  15          HG12      ILE  15   0.484  -7.127   4.246
  150   2HG1  ILE  15          HG11      ILE  15   1.031  -5.520   3.777
  151   1HG2  ILE  15          HG21      ILE  15   3.516  -8.358   4.191
  152   2HG2  ILE  15          HG22      ILE  15   2.083  -8.733   5.149
  153   3HG2  ILE  15          HG23      ILE  15   3.552  -8.165   5.944
  154   1HD1  ILE  15          HD11      ILE  15   2.705  -6.767   2.277
  155   2HD1  ILE  15          HD12      ILE  15   1.013  -6.694   1.785
  156   3HD1  ILE  15          HD13      ILE  15   1.653  -8.160   2.527
  157    H    TRP  16           HN       TRP  16   3.772  -4.277   6.470
  158    HA   TRP  16           HA       TRP  16   5.659  -5.755   8.022
  159   1HB   TRP  16          HB2       TRP  16   5.512  -3.060   6.821
  160   2HB   TRP  16          HB1       TRP  16   6.509  -3.187   8.267
  161    HD1  TRP  16           HD1      TRP  16   8.249  -5.549   8.038
  162    HE1  TRP  16           HE1      TRP  16   9.804  -6.033   6.045
  163    HE3  TRP  16           HE3      TRP  16   5.959  -2.657   4.498
  164    HZ2  TRP  16           HZ2      TRP  16  10.031  -5.289   3.332
  165    HZ3  TRP  16           HZ3      TRP  16   6.908  -2.598   2.229
  166    HH2  TRP  16           HH2      TRP  16   8.902  -3.887   1.659
  167    H    ASN  17           HN       ASN  17   2.895  -3.955   8.750
  168    HA   ASN  17           HA       ASN  17   3.705  -3.245  11.438
  169   1HB   ASN  17          HB2       ASN  17   1.650  -2.427   9.628
  170   2HB   ASN  17          HB1       ASN  17   0.883  -3.010  11.102
  171   1HD2  ASN  17          HD21      ASN  17   2.321  -2.251  13.112
  172   2HD2  ASN  17          HD22      ASN  17   2.587  -0.545  13.144
  173    H    ASP  18           HN       ASP  18   1.911  -5.738   9.783
  174    HA   ASP  18           HA       ASP  18   0.871  -6.873  12.237
  175   1HB   ASP  18          HB2       ASP  18   0.752  -7.768   9.353
  176   2HB   ASP  18          HB1       ASP  18   0.049  -8.687  10.681
  177    H    LYS  19           HN       LYS  19   3.590  -7.300  10.110
  178    HA   LYS  19           HA       LYS  19   4.303  -9.922  10.943
  179   1HB   LYS  19          HB2       LYS  19   5.108  -8.909   8.842
  180   2HB   LYS  19          HB1       LYS  19   6.043  -7.744   9.770
  181   1HG   LYS  19          HG2       LYS  19   7.730  -9.180   9.577
  182   2HG   LYS  19          HG1       LYS  19   6.889 -10.148  10.789
  183   1HD   LYS  19          HD2       LYS  19   6.209 -10.437   7.889
  184   2HD   LYS  19          HD1       LYS  19   7.625 -11.252   8.556
  185   1HE   LYS  19          HE2       LYS  19   6.384 -12.717   9.754
  186   2HE   LYS  19          HE1       LYS  19   5.118 -11.536  10.087
  187   1HZ   LYS  19          HZ1       LYS  19   4.503 -11.801   7.662
  188   2HZ   LYS  19          HZ2       LYS  19   4.151 -13.110   8.675
  189   3HZ   LYS  19          HZ3       LYS  19   5.496 -13.171   7.651
  190   1HN   NH2  20          NH1       NH2  20   5.055  -6.707  12.096
  191   2HN   NH2  20          NH2       NH2  20   5.942  -7.197  13.495
  Start of MODEL    2
    1   1H    ALA   1          HT1       ALA   1  -8.445   8.192 -12.206
    2   2H    ALA   1          HT2       ALA   1  -7.441   9.103 -11.153
    3   3H    ALA   1          HT3       ALA   1  -9.149   9.209 -11.020
    4    HA   ALA   1           HA       ALA   1  -7.907   7.821  -9.357
    5   1HB   ALA   1          HB1       ALA   1  -9.739   6.157  -9.338
    6   2HB   ALA   1          HB2       ALA   1 -10.244   6.739 -10.924
    7   3HB   ALA   1          HB3       ALA   1 -10.310   7.815  -9.529
    8    H    LYS   2           HN       LYS   2  -6.298   7.563 -11.782
    9    HA   LYS   2           HA       LYS   2  -6.128   4.660 -12.118
   10   1HB   LYS   2          HB2       LYS   2  -6.145   6.276 -14.093
   11   2HB   LYS   2          HB1       LYS   2  -4.519   6.729 -13.601
   12   1HG   LYS   2          HG2       LYS   2  -3.898   4.301 -13.795
   13   2HG   LYS   2          HG1       LYS   2  -5.475   4.040 -14.542
   14   1HD   LYS   2          HD2       LYS   2  -4.877   5.062 -16.473
   15   2HD   LYS   2          HD1       LYS   2  -3.854   6.244 -15.655
   16   1HE   LYS   2          HE2       LYS   2  -2.155   5.060 -16.517
   17   2HE   LYS   2          HE1       LYS   2  -2.487   3.935 -15.200
   18   1HZ   LYS   2          HZ1       LYS   2  -4.112   2.874 -16.844
   19   2HZ   LYS   2          HZ2       LYS   2  -2.459   2.604 -17.082
   20   3HZ   LYS   2          HZ3       LYS   2  -3.277   3.735 -18.037
   21    H    LYS   3           HN       LYS   3  -4.841   6.977 -10.135
   22    HA   LYS   3           HA       LYS   3  -2.230   5.623  -9.937
   23   1HB   LYS   3          HB2       LYS   3  -1.454   7.587  -8.732
   24   2HB   LYS   3          HB1       LYS   3  -2.169   8.079 -10.261
   25   1HG   LYS   3          HG2       LYS   3  -4.301   8.513  -8.933
   26   2HG   LYS   3          HG1       LYS   3  -3.286   8.380  -7.496
   27   1HD   LYS   3          HD2       LYS   3  -2.300  10.152  -9.648
   28   2HD   LYS   3          HD1       LYS   3  -3.734  10.697  -8.775
   29   1HE   LYS   3          HE2       LYS   3  -2.574  10.556  -6.675
   30   2HE   LYS   3          HE1       LYS   3  -1.172   9.821  -7.450
   31   1HZ   LYS   3          HZ1       LYS   3  -0.879  11.888  -8.716
   32   2HZ   LYS   3          HZ2       LYS   3  -0.760  12.140  -7.048
   33   3HZ   LYS   3          HZ3       LYS   3  -2.168  12.587  -7.871
   34    H    VAL   4           HN       VAL   4  -4.504   4.336  -8.983
   35    HA   VAL   4           HA       VAL   4  -4.792   4.640  -6.163
   36    HB   VAL   4           HB       VAL   4  -5.193   2.084  -7.730
   37   1HG1  VAL   4          HG11      VAL   4  -6.777   1.526  -5.985
   38   2HG1  VAL   4          HG12      VAL   4  -6.504   3.085  -5.205
   39   3HG1  VAL   4          HG13      VAL   4  -5.205   1.894  -5.275
   40   1HG2  VAL   4          HG21      VAL   4  -6.641   3.332  -8.938
   41   2HG2  VAL   4          HG22      VAL   4  -6.769   4.580  -7.699
   42   3HG2  VAL   4          HG23      VAL   4  -7.681   3.080  -7.536
   43    H    PHE   5           HN       PHE   5  -2.382   3.587  -8.191
   44    HA   PHE   5           HA       PHE   5  -1.046   1.525  -7.093
   45   1HB   PHE   5          HB2       PHE   5  -0.459   2.823  -9.148
   46   2HB   PHE   5          HB1       PHE   5   0.192   4.082  -8.110
   47    HD1  PHE   5           HD1      PHE   5   0.694   0.699  -9.409
   48    HD2  PHE   5           HD2      PHE   5   2.287   3.781  -6.945
   49    HE1  PHE   5           HE1      PHE   5   2.869  -0.451  -9.385
   50    HE2  PHE   5           HE2      PHE   5   4.466   2.637  -6.917
   51    HZ   PHE   5           HZ       PHE   5   4.759   0.519  -8.138
   52    H    LYS   6           HN       LYS   6  -1.387   4.671  -5.806
   53    HA   LYS   6           HA       LYS   6   0.749   4.589  -3.939
   54   1HB   LYS   6          HB2       LYS   6  -0.910   6.553  -4.789
   55   2HB   LYS   6          HB1       LYS   6  -1.657   6.171  -3.244
   56   1HG   LYS   6          HG2       LYS   6   0.934   6.331  -2.505
   57   2HG   LYS   6          HG1       LYS   6   0.902   7.488  -3.837
   58   1HD   LYS   6          HD2       LYS   6  -0.890   8.715  -2.790
   59   2HD   LYS   6          HD1       LYS   6  -1.026   7.501  -1.517
   60   1HE   LYS   6          HE2       LYS   6   1.604   8.825  -1.939
   61   2HE   LYS   6          HE1       LYS   6   0.321   9.745  -1.155
   62   1HZ   LYS   6          HZ1       LYS   6   0.793   7.044  -0.167
   63   2HZ   LYS   6          HZ2       LYS   6   0.390   8.452   0.680
   64   3HZ   LYS   6          HZ3       LYS   6   1.985   8.195   0.179
   65    H    ARG   7           HN       ARG   7  -2.665   3.713  -3.805
   66    HA   ARG   7           HA       ARG   7  -2.792   3.139  -1.055
   67   1HB   ARG   7          HB2       ARG   7  -4.450   2.688  -3.411
   68   2HB   ARG   7          HB1       ARG   7  -4.546   1.358  -2.265
   69   1HG   ARG   7          HG2       ARG   7  -6.087   2.561  -1.212
   70   2HG   ARG   7          HG1       ARG   7  -4.758   3.583  -0.659
   71   1HD   ARG   7          HD2       ARG   7  -5.769   4.184  -3.355
   72   2HD   ARG   7          HD1       ARG   7  -6.911   4.477  -2.044
   73    HE   ARG   7           HE       ARG   7  -4.293   5.577  -1.580
   74   1HH1  ARG   7          HH11      ARG   7  -7.428   6.139  -3.008
   75   2HH1  ARG   7          HH12      ARG   7  -7.288   7.864  -2.940
   76   1HH2  ARG   7          HH21      ARG   7  -4.108   7.845  -1.490
   77   2HH2  ARG   7          HH22      ARG   7  -5.403   8.833  -2.080
   78    H    LEU   8           HN       LEU   8  -1.660   1.317  -3.822
   79    HA   LEU   8           HA       LEU   8  -1.529  -1.224  -2.618
   80   1HB   LEU   8          HB2       LEU   8  -0.190   0.084  -4.945
   81   2HB   LEU   8          HB1       LEU   8   0.442  -1.446  -4.365
   82    HG   LEU   8           HG       LEU   8  -2.474  -1.374  -4.825
   83   1HD1  LEU   8          HD11      LEU   8  -0.512  -0.721  -6.934
   84   2HD1  LEU   8          HD12      LEU   8  -2.224  -0.317  -6.808
   85   3HD1  LEU   8          HD13      LEU   8  -1.735  -1.927  -7.336
   86   1HD2  LEU   8          HD21      LEU   8  -0.202  -3.268  -5.046
   87   2HD2  LEU   8          HD22      LEU   8  -1.603  -3.540  -6.083
   88   3HD2  LEU   8          HD23      LEU   8  -1.799  -3.490  -4.331
   89    H    GLU   9           HN       GLU   9   0.755   1.473  -2.744
   90    HA   GLU   9           HA       GLU   9   2.864   0.092  -1.424
   91   1HB   GLU   9          HB2       GLU   9   2.552   2.577  -2.665
   92   2HB   GLU   9          HB1       GLU   9   2.882   2.966  -0.983
   93   1HG   GLU   9          HG2       GLU   9   4.584   1.084  -2.589
   94   2HG   GLU   9          HG1       GLU   9   4.878   2.820  -2.506
   95    H    LYS  10           HN       LYS  10   0.073   1.903  -0.375
   96    HA   LYS  10           HA       LYS  10   0.880   2.190   2.342
   97   1HB   LYS  10          HB2       LYS  10  -1.304   3.016   0.743
   98   2HB   LYS  10          HB1       LYS  10  -1.983   2.083   2.068
   99   1HG   LYS  10          HG2       LYS  10  -0.254   3.634   3.426
  100   2HG   LYS  10          HG1       LYS  10  -0.653   4.707   2.083
  101   1HD   LYS  10          HD2       LYS  10  -2.818   4.944   2.737
  102   2HD   LYS  10          HD1       LYS  10  -2.907   3.313   3.406
  103   1HE   LYS  10          HE2       LYS  10  -2.934   4.507   5.347
  104   2HE   LYS  10          HE1       LYS  10  -1.191   4.332   5.146
  105   1HZ   LYS  10          HZ1       LYS  10  -1.245   6.549   5.429
  106   2HZ   LYS  10          HZ2       LYS  10  -2.853   6.703   4.929
  107   3HZ   LYS  10          HZ3       LYS  10  -1.621   6.569   3.779
  108    H    LEU  11           HN       LEU  11  -0.720  -0.284   0.468
  109    HA   LEU  11           HA       LEU  11  -1.652  -1.806   2.678
  110   1HB   LEU  11          HB2       LEU  11  -2.099  -1.878  -0.003
  111   2HB   LEU  11          HB1       LEU  11  -1.021  -3.248   0.190
  112    HG   LEU  11           HG       LEU  11  -2.569  -4.188   1.886
  113   1HD1  LEU  11          HD11      LEU  11  -4.767  -2.422   1.051
  114   2HD1  LEU  11          HD12      LEU  11  -3.566  -1.690   2.115
  115   3HD1  LEU  11          HD13      LEU  11  -4.422  -3.147   2.622
  116   1HD2  LEU  11          HD21      LEU  11  -2.851  -5.131  -0.216
  117   2HD2  LEU  11          HD22      LEU  11  -3.480  -3.637  -0.912
  118   3HD2  LEU  11          HD23      LEU  11  -4.477  -4.584   0.193
  119    H    PHE  12           HN       PHE  12   1.379  -1.410   1.166
  120    HA   PHE  12           HA       PHE  12   2.530  -3.896   1.997
  121   1HB   PHE  12          HB2       PHE  12   3.288  -2.024   0.194
  122   2HB   PHE  12          HB1       PHE  12   4.310  -1.568   1.553
  123    HD1  PHE  12           HD1      PHE  12   6.451  -2.257   1.047
  124    HD2  PHE  12           HD2      PHE  12   3.199  -4.914   0.354
  125    HE1  PHE  12           HE1      PHE  12   8.039  -4.039   0.451
  126    HE2  PHE  12           HE2      PHE  12   4.781  -6.701  -0.243
  127    HZ   PHE  12           HZ       PHE  12   7.205  -6.265  -0.195
  128    H    SER  13           HN       SER  13   2.388  -0.616   3.283
  129    HA   SER  13           HA       SER  13   4.164  -1.032   5.445
  130   1HB   SER  13          HB2       SER  13   1.879   0.871   5.732
  131   2HB   SER  13          HB1       SER  13   3.582   1.093   6.134
  132    HG   SER  13           HG       SER  13   3.020   2.311   4.305
  133    H    LYS  14           HN       LYS  14   0.791  -1.733   4.924
  134    HA   LYS  14           HA       LYS  14   0.056  -2.160   7.622
  135   1HB   LYS  14          HB2       LYS  14  -1.109  -2.619   4.977
  136   2HB   LYS  14          HB1       LYS  14  -1.552  -3.858   6.143
  137   1HG   LYS  14          HG2       LYS  14  -1.790  -0.988   6.908
  138   2HG   LYS  14          HG1       LYS  14  -3.010  -1.715   5.860
  139   1HD   LYS  14          HD2       LYS  14  -2.781  -3.600   7.809
  140   2HD   LYS  14          HD1       LYS  14  -2.491  -2.118   8.723
  141   1HE   LYS  14          HE2       LYS  14  -4.746  -2.009   6.838
  142   2HE   LYS  14          HE1       LYS  14  -4.946  -3.134   8.181
  143   1HZ   LYS  14          HZ1       LYS  14  -4.242  -1.191   9.634
  144   2HZ   LYS  14          HZ2       LYS  14  -5.788  -1.118   8.954
  145   3HZ   LYS  14          HZ3       LYS  14  -4.528  -0.210   8.286
  146    H    ILE  15           HN       ILE  15   1.653  -4.119   5.207
  147    HA   ILE  15           HA       ILE  15   1.347  -6.627   6.480
  148    HB   ILE  15           HB       ILE  15   3.627  -5.758   4.696
  149   1HG1  ILE  15          HG12      ILE  15   1.006  -7.055   3.919
  150   2HG1  ILE  15          HG11      ILE  15   1.384  -5.351   3.688
  151   1HG2  ILE  15          HG21      ILE  15   3.234  -8.358   4.146
  152   2HG2  ILE  15          HG22      ILE  15   2.756  -8.333   5.843
  153   3HG2  ILE  15          HG23      ILE  15   4.364  -7.783   5.372
  154   1HD1  ILE  15          HD11      ILE  15   3.428  -6.272   2.368
  155   2HD1  ILE  15          HD12      ILE  15   1.833  -6.222   1.617
  156   3HD1  ILE  15          HD13      ILE  15   2.454  -7.738   2.268
  157    H    TRP  16           HN       TRP  16   3.781  -4.074   6.732
  158    HA   TRP  16           HA       TRP  16   5.480  -5.560   8.478
  159   1HB   TRP  16          HB2       TRP  16   5.450  -2.891   7.287
  160   2HB   TRP  16          HB1       TRP  16   6.083  -2.900   8.930
  161    HD1  TRP  16           HD1      TRP  16   8.626  -2.690   8.548
  162    HE1  TRP  16           HE1      TRP  16  10.391  -4.050   7.260
  163    HE3  TRP  16           HE3      TRP  16   5.520  -5.890   6.048
  164    HZ2  TRP  16           HZ2      TRP  16  10.458  -6.196   5.427
  165    HZ3  TRP  16           HZ3      TRP  16   6.514  -7.566   4.547
  166    HH2  TRP  16           HH2      TRP  16   8.932  -7.715   4.243
  167    H    ASN  17           HN       ASN  17   2.575  -3.889   8.880
  168    HA   ASN  17           HA       ASN  17   2.963  -3.286  11.686
  169   1HB   ASN  17          HB2       ASN  17   1.227  -2.364   9.660
  170   2HB   ASN  17          HB1       ASN  17   0.204  -3.163  10.850
  171   1HD2  ASN  17          HD21      ASN  17   2.225  -0.471  10.164
  172   2HD2  ASN  17          HD22      ASN  17   1.943   0.394  11.633
  173    H    ASP  18           HN       ASP  18   1.495  -5.735   9.677
  174    HA   ASP  18           HA       ASP  18   0.178  -7.032  11.906
  175   1HB   ASP  18          HB2       ASP  18  -0.368  -6.961   9.241
  176   2HB   ASP  18          HB1       ASP  18   0.465  -8.508   9.365
  177    H    LYS  19           HN       LYS  19   3.169  -7.267  10.148
  178    HA   LYS  19           HA       LYS  19   3.836  -9.917  10.965
  179   1HB   LYS  19          HB2       LYS  19   4.815  -8.319   9.065
  180   2HB   LYS  19          HB1       LYS  19   5.978  -7.952  10.330
  181   1HG   LYS  19          HG2       LYS  19   6.187 -10.532  10.527
  182   2HG   LYS  19          HG1       LYS  19   5.477 -10.528   8.911
  183   1HD   LYS  19          HD2       LYS  19   7.629 -10.349   8.255
  184   2HD   LYS  19          HD1       LYS  19   7.380  -8.638   8.609
  185   1HE   LYS  19          HE2       LYS  19   8.192 -10.360  10.872
  186   2HE   LYS  19          HE1       LYS  19   9.405 -10.074   9.625
  187   1HZ   LYS  19          HZ1       LYS  19   9.006  -8.444  11.680
  188   2HZ   LYS  19          HZ2       LYS  19   7.960  -7.732  10.558
  189   3HZ   LYS  19          HZ3       LYS  19   9.599  -7.917  10.185
  190   1HN   NH2  20          NH1       NH2  20   5.145 -10.606  12.614
  191   2HN   NH2  20          NH2       NH2  20   5.589  -9.617  13.959
  Start of MODEL    3
    1   1H    ALA   1          HT1       ALA   1  -6.446   7.653  -9.238
    2   2H    ALA   1          HT2       ALA   1  -7.690   8.602  -9.943
    3   3H    ALA   1          HT3       ALA   1  -6.348   8.104 -10.889
    4    HA   ALA   1           HA       ALA   1  -8.168   6.206  -9.597
    5   1HB   ALA   1          HB1       ALA   1  -9.086   7.987 -11.390
    6   2HB   ALA   1          HB2       ALA   1  -9.685   6.333 -11.263
    7   3HB   ALA   1          HB3       ALA   1  -8.476   6.742 -12.480
    8    H    LYS   2           HN       LYS   2  -6.142   6.894 -12.454
    9    HA   LYS   2           HA       LYS   2  -5.552   4.112 -12.845
   10   1HB   LYS   2          HB2       LYS   2  -5.648   6.094 -14.575
   11   2HB   LYS   2          HB1       LYS   2  -3.958   6.286 -14.132
   12   1HG   LYS   2          HG2       LYS   2  -3.917   3.683 -14.608
   13   2HG   LYS   2          HG1       LYS   2  -5.294   4.104 -15.628
   14   1HD   LYS   2          HD2       LYS   2  -3.977   5.663 -16.877
   15   2HD   LYS   2          HD1       LYS   2  -2.625   5.500 -15.755
   16   1HE   LYS   2          HE2       LYS   2  -2.392   3.142 -16.409
   17   2HE   LYS   2          HE1       LYS   2  -3.715   3.340 -17.557
   18   1HZ   LYS   2          HZ1       LYS   2  -2.321   5.136 -18.597
   19   2HZ   LYS   2          HZ2       LYS   2  -1.735   3.560 -18.780
   20   3HZ   LYS   2          HZ3       LYS   2  -1.034   4.596 -17.640
   21    H    LYS   3           HN       LYS   3  -4.417   6.325 -10.654
   22    HA   LYS   3           HA       LYS   3  -1.892   4.833 -10.357
   23   1HB   LYS   3          HB2       LYS   3  -0.833   6.919  -9.531
   24   2HB   LYS   3          HB1       LYS   3  -1.321   7.029 -11.216
   25   1HG   LYS   3          HG2       LYS   3  -3.429   8.168 -10.377
   26   2HG   LYS   3          HG1       LYS   3  -2.607   8.298  -8.820
   27   1HD   LYS   3          HD2       LYS   3  -1.883  10.263  -9.660
   28   2HD   LYS   3          HD1       LYS   3  -0.688   9.246 -10.468
   29   1HE   LYS   3          HE2       LYS   3  -3.261   9.527 -11.867
   30   2HE   LYS   3          HE1       LYS   3  -2.308  11.004 -11.739
   31   1HZ   LYS   3          HZ1       LYS   3  -0.865   8.618 -12.559
   32   2HZ   LYS   3          HZ2       LYS   3  -0.729  10.210 -13.113
   33   3HZ   LYS   3          HZ3       LYS   3  -1.983   9.224 -13.676
   34    H    VAL   4           HN       VAL   4  -4.338   4.234  -9.149
   35    HA   VAL   4           HA       VAL   4  -4.428   5.204  -6.464
   36    HB   VAL   4           HB       VAL   4  -6.389   4.105  -7.463
   37   1HG1  VAL   4          HG11      VAL   4  -5.377   2.477  -8.882
   38   2HG1  VAL   4          HG12      VAL   4  -6.367   1.614  -7.705
   39   3HG1  VAL   4          HG13      VAL   4  -4.615   1.672  -7.511
   40   1HG2  VAL   4          HG21      VAL   4  -7.003   2.705  -5.591
   41   2HG2  VAL   4          HG22      VAL   4  -6.075   4.089  -5.013
   42   3HG2  VAL   4          HG23      VAL   4  -5.308   2.506  -5.145
   43    H    PHE   5           HN       PHE   5  -2.373   3.280  -8.218
   44    HA   PHE   5           HA       PHE   5  -1.429   1.254  -6.737
   45   1HB   PHE   5          HB2       PHE   5  -0.647   1.982  -8.986
   46   2HB   PHE   5          HB1       PHE   5   0.246   3.282  -8.214
   47    HD1  PHE   5           HD1      PHE   5  -0.132  -0.355  -7.451
   48    HD2  PHE   5           HD2      PHE   5   2.502   2.870  -8.330
   49    HE1  PHE   5           HE1      PHE   5   1.796  -1.856  -7.163
   50    HE2  PHE   5           HE2      PHE   5   4.435   1.375  -8.044
   51    HZ   PHE   5           HZ       PHE   5   4.083  -0.992  -7.461
   52    H    LYS   6           HN       LYS   6  -1.097   4.590  -6.072
   53    HA   LYS   6           HA       LYS   6   1.024   4.439  -4.197
   54   1HB   LYS   6          HB2       LYS   6   0.160   6.533  -5.361
   55   2HB   LYS   6          HB1       LYS   6  -1.172   6.512  -4.213
   56   1HG   LYS   6          HG2       LYS   6   0.918   6.341  -2.522
   57   2HG   LYS   6          HG1       LYS   6   1.645   7.268  -3.836
   58   1HD   LYS   6          HD2       LYS   6  -0.012   8.967  -3.662
   59   2HD   LYS   6          HD1       LYS   6  -0.994   7.985  -2.574
   60   1HE   LYS   6          HE2       LYS   6   1.289   8.063  -1.169
   61   2HE   LYS   6          HE1       LYS   6   1.421   9.599  -2.025
   62   1HZ   LYS   6          HZ1       LYS   6   0.208  10.319  -0.290
   63   2HZ   LYS   6          HZ2       LYS   6  -0.431   8.793   0.061
   64   3HZ   LYS   6          HZ3       LYS   6  -1.097   9.721  -1.186
   65    H    ARG   7           HN       ARG   7  -2.505   4.414  -3.885
   66    HA   ARG   7           HA       ARG   7  -2.603   4.306  -1.078
   67   1HB   ARG   7          HB2       ARG   7  -4.462   3.814  -3.304
   68   2HB   ARG   7          HB1       ARG   7  -4.814   2.886  -1.853
   69   1HG   ARG   7          HG2       ARG   7  -5.843   4.660  -1.027
   70   2HG   ARG   7          HG1       ARG   7  -4.289   5.495  -0.980
   71   1HD   ARG   7          HD2       ARG   7  -4.659   6.564  -3.007
   72   2HD   ARG   7          HD1       ARG   7  -5.874   5.391  -3.516
   73    HE   ARG   7           HE       ARG   7  -7.464   6.651  -2.468
   74   1HH1  ARG   7          HH11      ARG   7  -4.331   7.572  -1.238
   75   2HH1  ARG   7          HH12      ARG   7  -4.945   8.899  -0.311
   76   1HH2  ARG   7          HH21      ARG   7  -8.275   8.397  -1.250
   77   2HH2  ARG   7          HH22      ARG   7  -7.185   9.368  -0.318
   78    H    LEU   8           HN       LEU   8  -2.056   1.879  -3.530
   79    HA   LEU   8           HA       LEU   8  -2.474  -0.413  -1.942
   80   1HB   LEU   8          HB2       LEU   8  -1.893   0.044  -4.571
   81   2HB   LEU   8          HB1       LEU   8  -0.366  -0.590  -3.989
   82    HG   LEU   8           HG       LEU   8  -2.836  -2.097  -3.296
   83   1HD1  LEU   8          HD11      LEU   8  -1.732  -1.775  -6.049
   84   2HD1  LEU   8          HD12      LEU   8  -3.409  -1.897  -5.516
   85   3HD1  LEU   8          HD13      LEU   8  -2.385  -3.334  -5.546
   86   1HD2  LEU   8          HD21      LEU   8  -1.410  -3.818  -2.978
   87   2HD2  LEU   8          HD22      LEU   8  -0.228  -2.520  -2.815
   88   3HD2  LEU   8          HD23      LEU   8  -0.393  -3.373  -4.349
   89    H    GLU   9           HN       GLU   9   0.292   1.707  -2.422
   90    HA   GLU   9           HA       GLU   9   2.203   0.084  -1.109
   91   1HB   GLU   9          HB2       GLU   9   2.028   2.921  -1.962
   92   2HB   GLU   9          HB1       GLU   9   3.180   2.561  -0.684
   93   1HG   GLU   9          HG2       GLU   9   3.905   0.644  -2.330
   94   2HG   GLU   9          HG1       GLU   9   3.171   1.708  -3.529
   95    H    LYS  10           HN       LYS  10  -0.193   2.371   0.010
   96    HA   LYS  10           HA       LYS  10   0.796   2.627   2.662
   97   1HB   LYS  10          HB2       LYS  10  -1.845   3.173   1.339
   98   2HB   LYS  10          HB1       LYS  10  -1.700   3.260   3.090
   99   1HG   LYS  10          HG2       LYS  10   0.102   4.798   1.246
  100   2HG   LYS  10          HG1       LYS  10  -1.445   5.428   1.814
  101   1HD   LYS  10          HD2       LYS  10  -0.145   6.271   3.469
  102   2HD   LYS  10          HD1       LYS  10  -0.398   4.668   4.160
  103   1HE   LYS  10          HE2       LYS  10   1.816   4.454   4.217
  104   2HE   LYS  10          HE1       LYS  10   1.775   4.355   2.458
  105   1HZ   LYS  10          HZ1       LYS  10   1.732   7.032   3.586
  106   2HZ   LYS  10          HZ2       LYS  10   2.559   6.439   2.235
  107   3HZ   LYS  10          HZ3       LYS  10   3.176   6.173   3.788
  108    H    LEU  11           HN       LEU  11  -1.554   0.492   1.106
  109    HA   LEU  11           HA       LEU  11  -2.325  -0.849   3.477
  110   1HB   LEU  11          HB2       LEU  11  -3.139  -0.869   0.831
  111   2HB   LEU  11          HB1       LEU  11  -2.461  -2.469   1.057
  112    HG   LEU  11           HG       LEU  11  -4.816  -2.580   1.480
  113   1HD1  LEU  11          HD11      LEU  11  -3.562  -4.006   2.907
  114   2HD1  LEU  11          HD12      LEU  11  -4.823  -3.265   3.892
  115   3HD1  LEU  11          HD13      LEU  11  -3.164  -2.675   3.994
  116   1HD2  LEU  11          HD21      LEU  11  -6.038  -1.058   2.611
  117   2HD2  LEU  11          HD22      LEU  11  -4.681   0.000   2.225
  118   3HD2  LEU  11          HD23      LEU  11  -4.775  -0.771   3.808
  119    H    PHE  12           HN       PHE  12   0.438  -0.994   1.507
  120    HA   PHE  12           HA       PHE  12   1.238  -3.662   2.171
  121   1HB   PHE  12          HB2       PHE  12   2.020  -1.983   0.229
  122   2HB   PHE  12          HB1       PHE  12   3.276  -1.630   1.410
  123    HD1  PHE  12           HD1      PHE  12   1.819  -4.211  -0.750
  124    HD2  PHE  12           HD2      PHE  12   4.968  -3.237   1.942
  125    HE1  PHE  12           HE1      PHE  12   3.051  -6.216  -1.470
  126    HE2  PHE  12           HE2      PHE  12   6.205  -5.239   1.227
  127    HZ   PHE  12           HZ       PHE  12   5.247  -6.732  -0.482
  128    H    SER  13           HN       SER  13   1.635  -0.477   3.543
  129    HA   SER  13           HA       SER  13   3.747  -1.072   5.325
  130   1HB   SER  13          HB2       SER  13   3.082   1.238   4.779
  131   2HB   SER  13          HB1       SER  13   1.540   0.988   5.597
  132    HG   SER  13           HG       SER  13   4.034   0.655   6.895
  133    H    LYS  14           HN       LYS  14   0.262  -1.471   5.488
  134    HA   LYS  14           HA       LYS  14   0.096  -2.036   8.255
  135   1HB   LYS  14          HB2       LYS  14  -1.732  -1.664   6.274
  136   2HB   LYS  14          HB1       LYS  14  -1.825  -3.408   6.481
  137   1HG   LYS  14          HG2       LYS  14  -2.127  -2.958   8.955
  138   2HG   LYS  14          HG1       LYS  14  -2.362  -1.266   8.514
  139   1HD   LYS  14          HD2       LYS  14  -4.043  -2.496   6.775
  140   2HD   LYS  14          HD1       LYS  14  -4.142  -3.581   8.163
  141   1HE   LYS  14          HE2       LYS  14  -4.283  -0.710   8.791
  142   2HE   LYS  14          HE1       LYS  14  -5.639  -1.344   7.859
  143   1HZ   LYS  14          HZ1       LYS  14  -4.779  -2.021  10.582
  144   2HZ   LYS  14          HZ2       LYS  14  -5.567  -3.202   9.663
  145   3HZ   LYS  14          HZ3       LYS  14  -6.336  -1.730   9.986
  146    H    ILE  15           HN       ILE  15   0.701  -4.032   5.418
  147    HA   ILE  15           HA       ILE  15   0.542  -6.533   6.742
  148    HB   ILE  15           HB       ILE  15   2.204  -5.886   4.303
  149   1HG1  ILE  15          HG12      ILE  15  -0.703  -6.713   4.481
  150   2HG1  ILE  15          HG11      ILE  15  -0.111  -5.131   3.984
  151   1HG2  ILE  15          HG21      ILE  15   2.335  -8.136   3.893
  152   2HG2  ILE  15          HG22      ILE  15   0.855  -8.496   4.782
  153   3HG2  ILE  15          HG23      ILE  15   2.343  -8.134   5.657
  154   1HD1  ILE  15          HD11      ILE  15  -0.189  -5.885   1.905
  155   2HD1  ILE  15          HD12      ILE  15  -0.446  -7.545   2.444
  156   3HD1  ILE  15          HD13      ILE  15   1.192  -6.906   2.305
  157    H    TRP  16           HN       TRP  16   3.049  -4.133   6.372
  158    HA   TRP  16           HA       TRP  16   5.183  -5.790   7.278
  159   1HB   TRP  16          HB2       TRP  16   4.834  -2.851   6.825
  160   2HB   TRP  16          HB1       TRP  16   6.237  -3.429   7.718
  161    HD1  TRP  16           HD1      TRP  16   5.207  -2.642   4.308
  162    HE1  TRP  16           HE1      TRP  16   6.818  -3.674   2.586
  163    HE3  TRP  16           HE3      TRP  16   7.688  -5.901   7.368
  164    HZ2  TRP  16           HZ2      TRP  16   8.868  -5.612   2.532
  165    HZ3  TRP  16           HZ3      TRP  16   9.460  -7.308   6.403
  166    HH2  TRP  16           HH2      TRP  16  10.037  -7.166   4.034
  167    H    ASN  17           HN       ASN  17   2.644  -4.119   8.791
  168    HA   ASN  17           HA       ASN  17   3.910  -3.806  11.353
  169   1HB   ASN  17          HB2       ASN  17   1.193  -3.330  10.229
  170   2HB   ASN  17          HB1       ASN  17   1.320  -3.566  11.970
  171   1HD2  ASN  17          HD21      ASN  17   0.791  -1.215  10.092
  172   2HD2  ASN  17          HD22      ASN  17   1.820   0.029  10.705
  173    H    ASP  18           HN       ASP  18   1.991  -6.222   9.722
  174    HA   ASP  18           HA       ASP  18   1.392  -7.732  12.087
  175   1HB   ASP  18          HB2       ASP  18   0.302  -7.685   9.617
  176   2HB   ASP  18          HB1       ASP  18   1.355  -9.087   9.452
  177    H    LYS  19           HN       LYS  19   3.959  -7.651   9.729
  178    HA   LYS  19           HA       LYS  19   5.080 -10.185  10.194
  179   1HB   LYS  19          HB2       LYS  19   5.614  -8.395   8.374
  180   2HB   LYS  19          HB1       LYS  19   6.768  -7.788   9.554
  181   1HG   LYS  19          HG2       LYS  19   6.835 -10.687   8.944
  182   2HG   LYS  19          HG1       LYS  19   7.425  -9.572   7.710
  183   1HD   LYS  19          HD2       LYS  19   8.463  -8.783  10.255
  184   2HD   LYS  19          HD1       LYS  19   8.771 -10.503  10.016
  185   1HE   LYS  19          HE2       LYS  19  10.561  -9.834   8.851
  186   2HE   LYS  19          HE1       LYS  19   9.409  -9.459   7.570
  187   1HZ   LYS  19          HZ1       LYS  19  10.534  -7.593   9.582
  188   2HZ   LYS  19          HZ2       LYS  19   9.242  -7.194   8.566
  189   3HZ   LYS  19          HZ3       LYS  19  10.755  -7.556   7.904
  190   1HN   NH2  20          NH1       NH2  20   5.453 -10.833  12.220
  191   2HN   NH2  20          NH2       NH2  20   6.417  -9.991  13.381
  Start of MODEL    4
    1   1H    ALA   1          HT1       ALA   1  -9.217   7.608 -10.896
    2   2H    ALA   1          HT2       ALA   1  -9.375   6.312 -12.010
    3   3H    ALA   1          HT3       ALA   1  -8.088   7.437 -12.174
    4    HA   ALA   1           HA       ALA   1  -7.419   6.712  -9.876
    5   1HB   ALA   1          HB1       ALA   1  -9.118   5.429  -9.042
    6   2HB   ALA   1          HB2       ALA   1  -8.083   4.170  -9.715
    7   3HB   ALA   1          HB3       ALA   1  -9.501   4.717 -10.609
    8    H    LYS   2           HN       LYS   2  -6.023   7.231 -11.959
    9    HA   LYS   2           HA       LYS   2  -4.997   4.748 -13.127
   10   1HB   LYS   2          HB2       LYS   2  -5.610   6.806 -14.528
   11   2HB   LYS   2          HB1       LYS   2  -4.154   7.542 -13.872
   12   1HG   LYS   2          HG2       LYS   2  -3.423   6.680 -15.881
   13   2HG   LYS   2          HG1       LYS   2  -2.971   5.414 -14.737
   14   1HD   LYS   2          HD2       LYS   2  -4.050   4.014 -16.110
   15   2HD   LYS   2          HD1       LYS   2  -5.531   4.707 -15.446
   16   1HE   LYS   2          HE2       LYS   2  -4.167   6.050 -17.739
   17   2HE   LYS   2          HE1       LYS   2  -5.153   4.618 -18.032
   18   1HZ   LYS   2          HZ1       LYS   2  -6.332   6.718 -16.389
   19   2HZ   LYS   2          HZ2       LYS   2  -7.054   5.714 -17.542
   20   3HZ   LYS   2          HZ3       LYS   2  -6.151   7.056 -18.037
   21    H    LYS   3           HN       LYS   3  -4.486   5.589 -10.339
   22    HA   LYS   3           HA       LYS   3  -1.772   4.881 -10.163
   23   1HB   LYS   3          HB2       LYS   3  -1.560   7.259 -11.029
   24   2HB   LYS   3          HB1       LYS   3  -2.252   7.793  -9.503
   25   1HG   LYS   3          HG2       LYS   3  -0.278   6.249  -8.566
   26   2HG   LYS   3          HG1       LYS   3   0.437   6.738 -10.104
   27   1HD   LYS   3          HD2       LYS   3   0.851   8.794  -9.346
   28   2HD   LYS   3          HD1       LYS   3  -0.803   8.979  -8.759
   29   1HE   LYS   3          HE2       LYS   3   0.798   9.189  -6.934
   30   2HE   LYS   3          HE1       LYS   3  -0.219   7.764  -6.721
   31   1HZ   LYS   3          HZ1       LYS   3   1.759   6.621  -7.970
   32   2HZ   LYS   3          HZ2       LYS   3   1.827   6.888  -6.301
   33   3HZ   LYS   3          HZ3       LYS   3   2.636   7.932  -7.358
   34    H    VAL   4           HN       VAL   4  -4.202   4.134  -9.018
   35    HA   VAL   4           HA       VAL   4  -4.407   5.078  -6.327
   36    HB   VAL   4           HB       VAL   4  -5.261   2.380  -7.409
   37   1HG1  VAL   4          HG11      VAL   4  -5.559   2.058  -5.193
   38   2HG1  VAL   4          HG12      VAL   4  -7.037   2.976  -5.481
   39   3HG1  VAL   4          HG13      VAL   4  -5.608   3.785  -4.838
   40   1HG2  VAL   4          HG21      VAL   4  -6.947   4.867  -7.167
   41   2HG2  VAL   4          HG22      VAL   4  -7.411   3.317  -7.870
   42   3HG2  VAL   4          HG23      VAL   4  -6.203   4.323  -8.671
   43    H    PHE   5           HN       PHE   5  -2.218   3.282  -8.051
   44    HA   PHE   5           HA       PHE   5  -1.210   1.284  -6.575
   45   1HB   PHE   5          HB2       PHE   5  -0.413   2.078  -8.794
   46   2HB   PHE   5          HB1       PHE   5   0.391   3.415  -7.988
   47    HD1  PHE   5           HD1      PHE   5   0.202  -0.187  -7.057
   48    HD2  PHE   5           HD2      PHE   5   2.659   3.069  -8.270
   49    HE1  PHE   5           HE1      PHE   5   2.203  -1.584  -6.740
   50    HE2  PHE   5           HE2      PHE   5   4.664   1.678  -7.956
   51    HZ   PHE   5           HZ       PHE   5   4.438  -0.651  -7.190
   52    H    LYS   6           HN       LYS   6  -1.051   4.622  -5.852
   53    HA   LYS   6           HA       LYS   6   1.031   4.521  -3.926
   54   1HB   LYS   6          HB2       LYS   6  -0.346   6.543  -5.149
   55   2HB   LYS   6          HB1       LYS   6  -1.041   6.581  -3.534
   56   1HG   LYS   6          HG2       LYS   6   1.788   6.357  -3.300
   57   2HG   LYS   6          HG1       LYS   6   1.410   7.668  -4.419
   58   1HD   LYS   6          HD2       LYS   6   1.429   8.717  -2.338
   59   2HD   LYS   6          HD1       LYS   6  -0.285   8.418  -2.631
   60   1HE   LYS   6          HE2       LYS   6  -0.088   7.675  -0.471
   61   2HE   LYS   6          HE1       LYS   6   0.207   6.181  -1.358
   62   1HZ   LYS   6          HZ1       LYS   6   1.810   7.091   0.550
   63   2HZ   LYS   6          HZ2       LYS   6   2.546   7.808  -0.793
   64   3HZ   LYS   6          HZ3       LYS   6   2.354   6.129  -0.732
   65    H    ARG   7           HN       ARG   7  -2.502   4.366  -3.720
   66    HA   ARG   7           HA       ARG   7  -2.661   4.221  -0.910
   67   1HB   ARG   7          HB2       ARG   7  -4.482   3.439  -3.158
   68   2HB   ARG   7          HB1       ARG   7  -4.871   2.945  -1.516
   69   1HG   ARG   7          HG2       ARG   7  -4.274   5.639  -1.282
   70   2HG   ARG   7          HG1       ARG   7  -5.170   5.521  -2.798
   71   1HD   ARG   7          HD2       ARG   7  -6.783   5.872  -1.106
   72   2HD   ARG   7          HD1       ARG   7  -6.885   4.165  -1.536
   73    HE   ARG   7           HE       ARG   7  -6.305   3.657   0.606
   74   1HH1  ARG   7          HH11      ARG   7  -5.256   6.918  -0.061
   75   2HH1  ARG   7          HH12      ARG   7  -4.719   7.210   1.558
   76   1HH2  ARG   7          HH21      ARG   7  -5.597   4.039   2.737
   77   2HH2  ARG   7          HH22      ARG   7  -4.910   5.575   3.147
   78    H    LEU   8           HN       LEU   8  -2.024   1.851  -3.399
   79    HA   LEU   8           HA       LEU   8  -2.426  -0.470  -1.836
   80   1HB   LEU   8          HB2       LEU   8  -0.849   0.112  -4.327
   81   2HB   LEU   8          HB1       LEU   8  -0.782  -1.467  -3.565
   82    HG   LEU   8           HG       LEU   8  -3.430  -0.268  -4.291
   83   1HD1  LEU   8          HD11      LEU   8  -1.352  -1.290  -6.127
   84   2HD1  LEU   8          HD12      LEU   8  -2.650  -0.130  -6.410
   85   3HD1  LEU   8          HD13      LEU   8  -3.000  -1.859  -6.391
   86   1HD2  LEU   8          HD21      LEU   8  -2.998  -2.406  -2.877
   87   2HD2  LEU   8          HD22      LEU   8  -2.638  -3.145  -4.437
   88   3HD2  LEU   8          HD23      LEU   8  -4.224  -2.431  -4.145
   89    H    GLU   9           HN       GLU   9   0.296   1.704  -2.288
   90    HA   GLU   9           HA       GLU   9   2.237   0.077  -1.012
   91   1HB   GLU   9          HB2       GLU   9   2.093   3.069  -1.417
   92   2HB   GLU   9          HB1       GLU   9   3.493   2.241  -0.752
   93   1HG   GLU   9          HG2       GLU   9   2.327   1.719  -3.477
   94   2HG   GLU   9          HG1       GLU   9   3.704   2.771  -3.151
   95    H    LYS  10           HN       LYS  10  -0.178   2.326   0.136
   96    HA   LYS  10           HA       LYS  10   0.844   2.567   2.783
   97   1HB   LYS  10          HB2       LYS  10  -0.732   4.200   1.796
   98   2HB   LYS  10          HB1       LYS  10  -1.983   2.965   1.780
   99   1HG   LYS  10          HG2       LYS  10  -2.568   3.907   3.729
  100   2HG   LYS  10          HG1       LYS  10  -1.280   2.890   4.377
  101   1HD   LYS  10          HD2       LYS  10  -0.706   4.937   5.257
  102   2HD   LYS  10          HD1       LYS  10   0.232   4.940   3.762
  103   1HE   LYS  10          HE2       LYS  10  -1.478   6.260   2.660
  104   2HE   LYS  10          HE1       LYS  10  -2.489   6.196   4.103
  105   1HZ   LYS  10          HZ1       LYS  10  -0.154   7.830   3.547
  106   2HZ   LYS  10          HZ2       LYS  10  -0.253   7.209   5.117
  107   3HZ   LYS  10          HZ3       LYS  10  -1.508   8.164   4.505
  108    H    LEU  11           HN       LEU  11  -1.497   0.447   1.208
  109    HA   LEU  11           HA       LEU  11  -2.270  -0.890   3.595
  110   1HB   LEU  11          HB2       LEU  11  -2.635  -1.372   0.677
  111   2HB   LEU  11          HB1       LEU  11  -2.925  -2.704   1.780
  112    HG   LEU  11           HG       LEU  11  -4.399  -0.784   2.980
  113   1HD1  LEU  11          HD11      LEU  11  -5.684   0.121   0.847
  114   2HD1  LEU  11          HD12      LEU  11  -4.074  -0.001   0.138
  115   3HD1  LEU  11          HD13      LEU  11  -4.335   0.998   1.568
  116   1HD2  LEU  11          HD21      LEU  11  -6.295  -1.770   1.442
  117   2HD2  LEU  11          HD22      LEU  11  -5.478  -2.772   2.641
  118   3HD2  LEU  11          HD23      LEU  11  -5.007  -2.867   0.944
  119    H    PHE  12           HN       PHE  12   0.433  -1.074   1.542
  120    HA   PHE  12           HA       PHE  12   1.184  -3.767   2.196
  121   1HB   PHE  12          HB2       PHE  12   1.983  -1.900   0.285
  122   2HB   PHE  12          HB1       PHE  12   3.379  -2.049   1.347
  123    HD1  PHE  12           HD1      PHE  12   4.546  -4.177   1.574
  124    HD2  PHE  12           HD2      PHE  12   1.266  -3.721  -1.098
  125    HE1  PHE  12           HE1      PHE  12   5.186  -6.264   0.438
  126    HE2  PHE  12           HE2      PHE  12   1.898  -5.807  -2.238
  127    HZ   PHE  12           HZ       PHE  12   3.861  -7.082  -1.470
  128    H    SER  13           HN       SER  13   1.746  -0.567   3.476
  129    HA   SER  13           HA       SER  13   3.921  -1.242   5.173
  130   1HB   SER  13          HB2       SER  13   1.902   1.011   5.286
  131   2HB   SER  13          HB1       SER  13   3.281   0.879   6.378
  132    HG   SER  13           HG       SER  13   4.597   0.837   4.422
  133    H    LYS  14           HN       LYS  14   0.442  -1.456   5.446
  134    HA   LYS  14           HA       LYS  14   0.347  -1.875   8.255
  135   1HB   LYS  14          HB2       LYS  14  -1.526  -1.471   6.288
  136   2HB   LYS  14          HB1       LYS  14  -1.761  -3.172   6.670
  137   1HG   LYS  14          HG2       LYS  14  -3.131  -2.389   8.254
  138   2HG   LYS  14          HG1       LYS  14  -1.641  -2.102   9.155
  139   1HD   LYS  14          HD2       LYS  14  -2.554   0.008   7.271
  140   2HD   LYS  14          HD1       LYS  14  -3.451  -0.196   8.777
  141   1HE   LYS  14          HE2       LYS  14  -0.537  -0.185   9.092
  142   2HE   LYS  14          HE1       LYS  14  -1.206   1.326   8.479
  143   1HZ   LYS  14          HZ1       LYS  14  -2.388   1.685  10.390
  144   2HZ   LYS  14          HZ2       LYS  14  -1.028   0.905  11.024
  145   3HZ   LYS  14          HZ3       LYS  14  -2.468   0.046  10.802
  146    H    ILE  15           HN       ILE  15   0.641  -4.007   5.461
  147    HA   ILE  15           HA       ILE  15   0.388  -6.438   6.906
  148    HB   ILE  15           HB       ILE  15   1.882  -6.007   4.313
  149   1HG1  ILE  15          HG12      ILE  15  -1.026  -6.746   4.701
  150   2HG1  ILE  15          HG11      ILE  15  -0.462  -5.138   4.262
  151   1HG2  ILE  15          HG21      ILE  15   1.840  -8.232   5.850
  152   2HG2  ILE  15          HG22      ILE  15   2.014  -8.243   4.095
  153   3HG2  ILE  15          HG23      ILE  15   0.432  -8.513   4.826
  154   1HD1  ILE  15          HD11      ILE  15  -0.003  -5.735   2.128
  155   2HD1  ILE  15          HD12      ILE  15  -1.272  -6.912   2.468
  156   3HD1  ILE  15          HD13      ILE  15   0.422  -7.391   2.563
  157    H    TRP  16           HN       TRP  16   3.026  -4.248   6.253
  158    HA   TRP  16           HA       TRP  16   5.080  -6.050   7.107
  159   1HB   TRP  16          HB2       TRP  16   5.163  -3.825   5.620
  160   2HB   TRP  16          HB1       TRP  16   5.536  -3.113   7.186
  161    HD1  TRP  16           HD1      TRP  16   7.969  -3.350   8.042
  162    HE1  TRP  16           HE1      TRP  16  10.087  -4.522   7.169
  163    HE3  TRP  16           HE3      TRP  16   5.889  -6.059   4.236
  164    HZ2  TRP  16           HZ2      TRP  16  10.784  -6.354   5.137
  165    HZ3  TRP  16           HZ3      TRP  16   7.351  -7.496   2.875
  166    HH2  TRP  16           HH2      TRP  16   9.748  -7.639   3.318
  167    H    ASN  17           HN       ASN  17   2.798  -4.093   8.662
  168    HA   ASN  17           HA       ASN  17   4.315  -3.719  11.095
  169   1HB   ASN  17          HB2       ASN  17   1.446  -3.138  10.348
  170   2HB   ASN  17          HB1       ASN  17   2.091  -2.857  11.963
  171   1HD2  ASN  17          HD21      ASN  17   1.410  -0.644  11.472
  172   2HD2  ASN  17          HD22      ASN  17   2.506   0.389  10.626
  173    H    ASP  18           HN       ASP  18   1.997  -5.959   9.777
  174    HA   ASP  18           HA       ASP  18   1.480  -7.226  12.330
  175   1HB   ASP  18          HB2       ASP  18   0.106  -7.083   9.916
  176   2HB   ASP  18          HB1       ASP  18   0.678  -8.747   9.975
  177    H    LYS  19           HN       LYS  19   3.569  -7.650   9.577
  178    HA   LYS  19           HA       LYS  19   4.298 -10.352  10.119
  179   1HB   LYS  19          HB2       LYS  19   4.647  -8.677   8.001
  180   2HB   LYS  19          HB1       LYS  19   6.256  -8.656   8.709
  181   1HG   LYS  19          HG2       LYS  19   6.417 -10.393   7.217
  182   2HG   LYS  19          HG1       LYS  19   6.003 -11.242   8.708
  183   1HD   LYS  19          HD2       LYS  19   3.548 -10.891   7.874
  184   2HD   LYS  19          HD1       LYS  19   4.322 -10.698   6.300
  185   1HE   LYS  19          HE2       LYS  19   4.858 -12.882   6.153
  186   2HE   LYS  19          HE1       LYS  19   5.244 -13.006   7.869
  187   1HZ   LYS  19          HZ1       LYS  19   2.710 -13.450   6.497
  188   2HZ   LYS  19          HZ2       LYS  19   2.628 -12.732   8.026
  189   3HZ   LYS  19          HZ3       LYS  19   3.368 -14.241   7.841
  190   1HN   NH2  20          NH1       NH2  20   5.572 -11.083  11.660
  191   2HN   NH2  20          NH2       NH2  20   6.764 -10.179  12.524
  Start of MODEL    5
    1   1H    ALA   1          HT1       ALA   1  -5.781   4.413 -15.423
    2   2H    ALA   1          HT2       ALA   1  -5.650   2.702 -15.406
    3   3H    ALA   1          HT3       ALA   1  -4.335   3.670 -14.877
    4    HA   ALA   1           HA       ALA   1  -6.929   3.213 -13.594
    5   1HB   ALA   1          HB1       ALA   1  -5.612   1.629 -12.682
    6   2HB   ALA   1          HB2       ALA   1  -5.030   2.969 -11.694
    7   3HB   ALA   1          HB3       ALA   1  -4.122   2.465 -13.119
    8    H    LYS   2           HN       LYS   2  -6.668   4.237 -11.235
    9    HA   LYS   2           HA       LYS   2  -6.350   7.108 -11.710
   10   1HB   LYS   2          HB2       LYS   2  -8.410   5.784 -10.592
   11   2HB   LYS   2          HB1       LYS   2  -7.467   6.120  -9.147
   12   1HG   LYS   2          HG2       LYS   2  -8.520   8.078  -9.105
   13   2HG   LYS   2          HG1       LYS   2  -7.469   8.540 -10.444
   14   1HD   LYS   2          HD2       LYS   2  -9.337   8.885 -11.618
   15   2HD   LYS   2          HD1       LYS   2  -9.505   7.129 -11.672
   16   1HE   LYS   2          HE2       LYS   2 -10.739   7.310  -9.473
   17   2HE   LYS   2          HE1       LYS   2 -10.762   9.055  -9.729
   18   1HZ   LYS   2          HZ1       LYS   2 -11.768   7.241 -11.821
   19   2HZ   LYS   2          HZ2       LYS   2 -12.168   8.858 -11.529
   20   3HZ   LYS   2          HZ3       LYS   2 -12.753   7.644 -10.506
   21    H    LYS   3           HN       LYS   3  -4.096   5.232 -11.217
   22    HA   LYS   3           HA       LYS   3  -2.230   4.981  -9.908
   23   1HB   LYS   3          HB2       LYS   3  -1.116   7.067  -9.394
   24   2HB   LYS   3          HB1       LYS   3  -1.916   7.216 -10.952
   25   1HG   LYS   3          HG2       LYS   3  -3.538   8.652 -10.127
   26   2HG   LYS   3          HG1       LYS   3  -3.267   8.155  -8.456
   27   1HD   LYS   3          HD2       LYS   3  -0.814   9.155  -9.242
   28   2HD   LYS   3          HD1       LYS   3  -1.970  10.240 -10.017
   29   1HE   LYS   3          HE2       LYS   3  -2.021   9.505  -7.094
   30   2HE   LYS   3          HE1       LYS   3  -1.260  10.959  -7.738
   31   1HZ   LYS   3          HZ1       LYS   3  -4.092  10.362  -8.310
   32   2HZ   LYS   3          HZ2       LYS   3  -3.295  11.854  -8.338
   33   3HZ   LYS   3          HZ3       LYS   3  -3.646  11.111  -6.860
   34    H    VAL   4           HN       VAL   4  -4.603   4.407  -8.538
   35    HA   VAL   4           HA       VAL   4  -4.551   5.522  -5.907
   36    HB   VAL   4           HB       VAL   4  -6.555   4.360  -6.738
   37   1HG1  VAL   4          HG11      VAL   4  -6.498   1.838  -6.804
   38   2HG1  VAL   4          HG12      VAL   4  -4.739   1.963  -6.791
   39   3HG1  VAL   4          HG13      VAL   4  -5.663   2.661  -8.122
   40   1HG2  VAL   4          HG21      VAL   4  -5.754   4.377  -4.247
   41   2HG2  VAL   4          HG22      VAL   4  -5.593   2.638  -4.499
   42   3HG2  VAL   4          HG23      VAL   4  -7.157   3.421  -4.725
   43    H    PHE   5           HN       PHE   5  -2.591   3.510  -7.675
   44    HA   PHE   5           HA       PHE   5  -1.543   1.566  -6.171
   45   1HB   PHE   5          HB2       PHE   5  -0.873   2.210  -8.476
   46   2HB   PHE   5          HB1       PHE   5   0.028   3.559  -7.803
   47    HD1  PHE   5           HD1      PHE   5  -0.043  -0.043  -8.327
   48    HD2  PHE   5           HD2      PHE   5   2.092   3.183  -6.555
   49    HE1  PHE   5           HE1      PHE   5   1.929  -1.493  -8.074
   50    HE2  PHE   5           HE2      PHE   5   4.068   1.740  -6.299
   51    HZ   PHE   5           HZ       PHE   5   3.989  -0.601  -7.060
   52    H    LYS   6           HN       LYS   6  -1.178   4.929  -5.653
   53    HA   LYS   6           HA       LYS   6   1.017   4.820  -3.857
   54   1HB   LYS   6          HB2       LYS   6  -0.651   6.842  -4.981
   55   2HB   LYS   6          HB1       LYS   6  -0.660   7.050  -3.235
   56   1HG   LYS   6          HG2       LYS   6   1.497   7.695  -3.164
   57   2HG   LYS   6          HG1       LYS   6   1.981   6.596  -4.458
   58   1HD   LYS   6          HD2       LYS   6   0.989   8.095  -6.111
   59   2HD   LYS   6          HD1       LYS   6   0.471   9.185  -4.823
   60   1HE   LYS   6          HE2       LYS   6   3.330   8.507  -4.804
   61   2HE   LYS   6          HE1       LYS   6   2.794   9.423  -6.212
   62   1HZ   LYS   6          HZ1       LYS   6   1.851  10.379  -3.635
   63   2HZ   LYS   6          HZ2       LYS   6   2.392  11.248  -4.981
   64   3HZ   LYS   6          HZ3       LYS   6   3.510  10.552  -3.920
   65    H    ARG   7           HN       ARG   7  -2.498   5.016  -3.367
   66    HA   ARG   7           HA       ARG   7  -2.403   4.912  -0.550
   67   1HB   ARG   7          HB2       ARG   7  -4.544   4.208  -2.551
   68   2HB   ARG   7          HB1       ARG   7  -4.793   4.022  -0.820
   69   1HG   ARG   7          HG2       ARG   7  -4.043   6.609  -2.164
   70   2HG   ARG   7          HG1       ARG   7  -5.690   6.137  -1.740
   71   1HD   ARG   7          HD2       ARG   7  -5.033   5.991   0.617
   72   2HD   ARG   7          HD1       ARG   7  -3.394   6.478   0.187
   73    HE   ARG   7           HE       ARG   7  -4.961   8.478  -0.792
   74   1HH1  ARG   7          HH11      ARG   7  -4.571   7.000   2.345
   75   2HH1  ARG   7          HH12      ARG   7  -4.971   8.443   3.214
   76   1HH2  ARG   7          HH21      ARG   7  -5.488  10.377   0.349
   77   2HH2  ARG   7          HH22      ARG   7  -5.494  10.361   2.081
   78    H    LEU   8           HN       LEU   8  -2.280   2.482  -3.052
   79    HA   LEU   8           HA       LEU   8  -2.801   0.226  -1.427
   80   1HB   LEU   8          HB2       LEU   8  -2.452   0.650  -4.104
   81   2HB   LEU   8          HB1       LEU   8  -0.952  -0.153  -3.684
   82    HG   LEU   8           HG       LEU   8  -3.125  -1.591  -2.497
   83   1HD1  LEU   8          HD11      LEU   8  -4.476  -2.177  -4.317
   84   2HD1  LEU   8          HD12      LEU   8  -3.390  -1.417  -5.481
   85   3HD1  LEU   8          HD13      LEU   8  -4.358  -0.419  -4.396
   86   1HD2  LEU   8          HD21      LEU   8  -0.873  -2.066  -4.357
   87   2HD2  LEU   8          HD22      LEU   8  -2.184  -3.245  -4.366
   88   3HD2  LEU   8          HD23      LEU   8  -1.315  -2.904  -2.869
   89    H    GLU   9           HN       GLU   9   0.079   2.097  -2.147
   90    HA   GLU   9           HA       GLU   9   1.958   0.264  -1.081
   91   1HB   GLU   9          HB2       GLU   9   1.958   3.098  -1.919
   92   2HB   GLU   9          HB1       GLU   9   3.166   2.671  -0.714
   93   1HG   GLU   9          HG2       GLU   9   2.803   1.375  -3.406
   94   2HG   GLU   9          HG1       GLU   9   4.077   2.505  -2.950
   95    H    LYS  10           HN       LYS  10  -0.085   2.728   0.327
   96    HA   LYS  10           HA       LYS  10   1.210   2.791   2.864
   97   1HB   LYS  10          HB2       LYS  10  -1.459   3.705   1.836
   98   2HB   LYS  10          HB1       LYS  10  -1.134   3.707   3.564
   99   1HG   LYS  10          HG2       LYS  10   0.987   5.042   2.916
  100   2HG   LYS  10          HG1       LYS  10   0.126   5.339   1.404
  101   1HD   LYS  10          HD2       LYS  10  -0.606   7.138   2.598
  102   2HD   LYS  10          HD1       LYS  10  -1.832   5.964   3.083
  103   1HE   LYS  10          HE2       LYS  10  -1.250   6.625   5.160
  104   2HE   LYS  10          HE1       LYS  10   0.055   5.461   4.933
  105   1HZ   LYS  10          HZ1       LYS  10   1.308   7.228   5.492
  106   2HZ   LYS  10          HZ2       LYS  10   0.151   8.364   5.009
  107   3HZ   LYS  10          HZ3       LYS  10   1.146   7.628   3.856
  108    H    LEU  11           HN       LEU  11  -1.539   1.018   1.523
  109    HA   LEU  11           HA       LEU  11  -2.179  -0.320   3.947
  110   1HB   LEU  11          HB2       LEU  11  -2.800  -1.113   1.102
  111   2HB   LEU  11          HB1       LEU  11  -3.541  -1.802   2.534
  112    HG   LEU  11           HG       LEU  11  -3.756   1.140   2.014
  113   1HD1  LEU  11          HD11      LEU  11  -5.352   0.955   0.432
  114   2HD1  LEU  11          HD12      LEU  11  -5.959  -0.574   1.066
  115   3HD1  LEU  11          HD13      LEU  11  -4.507  -0.548   0.065
  116   1HD2  LEU  11          HD21      LEU  11  -4.468   0.326   4.178
  117   2HD2  LEU  11          HD22      LEU  11  -5.495  -0.888   3.415
  118   3HD2  LEU  11          HD23      LEU  11  -5.873   0.826   3.237
  119    H    PHE  12           HN       PHE  12   0.247  -0.713   1.607
  120    HA   PHE  12           HA       PHE  12   0.739  -3.504   2.074
  121   1HB   PHE  12          HB2       PHE  12   1.616  -1.562   0.213
  122   2HB   PHE  12          HB1       PHE  12   3.054  -2.119   1.062
  123    HD1  PHE  12           HD1      PHE  12   0.079  -3.331  -0.798
  124    HD2  PHE  12           HD2      PHE  12   4.056  -4.135   0.486
  125    HE1  PHE  12           HE1      PHE  12   0.123  -5.348  -2.207
  126    HE2  PHE  12           HE2      PHE  12   4.107  -6.152  -0.921
  127    HZ   PHE  12           HZ       PHE  12   2.139  -6.761  -2.270
  128    H    SER  13           HN       SER  13   1.810  -0.449   3.388
  129    HA   SER  13           HA       SER  13   4.054  -1.416   4.817
  130   1HB   SER  13          HB2       SER  13   2.419   1.053   4.799
  131   2HB   SER  13          HB1       SER  13   3.259   0.707   6.310
  132    HG   SER  13           HG       SER  13   5.198   0.554   5.088
  133    H    LYS  14           HN       LYS  14   0.616  -1.345   5.457
  134    HA   LYS  14           HA       LYS  14   0.734  -1.891   8.230
  135   1HB   LYS  14          HB2       LYS  14  -1.276  -1.131   6.781
  136   2HB   LYS  14          HB1       LYS  14  -1.490  -2.844   6.445
  137   1HG   LYS  14          HG2       LYS  14  -1.205  -2.651   9.221
  138   2HG   LYS  14          HG1       LYS  14  -2.268  -1.324   8.752
  139   1HD   LYS  14          HD2       LYS  14  -2.639  -4.226   8.010
  140   2HD   LYS  14          HD1       LYS  14  -3.532  -3.362   9.263
  141   1HE   LYS  14          HE2       LYS  14  -3.926  -1.727   7.143
  142   2HE   LYS  14          HE1       LYS  14  -3.819  -3.290   6.334
  143   1HZ   LYS  14          HZ1       LYS  14  -5.866  -2.263   8.118
  144   2HZ   LYS  14          HZ2       LYS  14  -5.451  -3.887   8.346
  145   3HZ   LYS  14          HZ3       LYS  14  -5.996  -3.359   6.835
  146    H    ILE  15           HN       ILE  15   0.861  -3.905   5.366
  147    HA   ILE  15           HA       ILE  15   0.474  -6.397   6.645
  148    HB   ILE  15           HB       ILE  15   2.099  -5.882   4.150
  149   1HG1  ILE  15          HG12      ILE  15  -0.871  -6.392   4.445
  150   2HG1  ILE  15          HG11      ILE  15  -0.130  -4.873   3.949
  151   1HG2  ILE  15          HG21      ILE  15   1.777  -8.145   3.614
  152   2HG2  ILE  15          HG22      ILE  15   0.526  -8.344   4.841
  153   3HG2  ILE  15          HG23      ILE  15   2.209  -8.140   5.324
  154   1HD1  ILE  15          HD11      ILE  15  -0.889  -5.890   1.980
  155   2HD1  ILE  15          HD12      ILE  15  -0.245  -7.464   2.447
  156   3HD1  ILE  15          HD13      ILE  15   0.854  -6.158   2.003
  157    H    TRP  16           HN       TRP  16   3.254  -4.322   6.199
  158    HA   TRP  16           HA       TRP  16   5.187  -6.261   7.001
  159   1HB   TRP  16          HB2       TRP  16   5.630  -4.162   5.627
  160   2HB   TRP  16          HB1       TRP  16   5.519  -3.268   7.139
  161    HD1  TRP  16           HD1      TRP  16   7.545  -3.472   8.841
  162    HE1  TRP  16           HE1      TRP  16   9.942  -4.376   8.592
  163    HE3  TRP  16           HE3      TRP  16   7.008  -6.001   4.430
  164    HZ2  TRP  16           HZ2      TRP  16  11.411  -5.952   6.769
  165    HZ3  TRP  16           HZ3      TRP  16   8.958  -7.180   3.501
  166    HH2  TRP  16           HH2      TRP  16  11.113  -7.155   4.648
  167    H    ASN  17           HN       ASN  17   2.926  -4.355   8.643
  168    HA   ASN  17           HA       ASN  17   4.361  -4.232  11.146
  169   1HB   ASN  17          HB2       ASN  17   1.541  -3.516  10.341
  170   2HB   ASN  17          HB1       ASN  17   2.106  -3.414  12.006
  171   1HD2  ASN  17          HD21      ASN  17   1.498  -1.148  11.708
  172   2HD2  ASN  17          HD22      ASN  17   2.658  -0.064  11.027
  173    H    ASP  18           HN       ASP  18   2.029  -6.294   9.579
  174    HA   ASP  18           HA       ASP  18   1.377  -7.751  11.987
  175   1HB   ASP  18          HB2       ASP  18   0.742  -8.327   9.084
  176   2HB   ASP  18          HB1       ASP  18   0.096  -9.221  10.457
  177    H    LYS  19           HN       LYS  19   3.634  -8.000   9.349
  178    HA   LYS  19           HA       LYS  19   4.293 -10.714   9.517
  179   1HB   LYS  19          HB2       LYS  19   5.029  -8.829   7.836
  180   2HB   LYS  19          HB1       LYS  19   6.396  -8.668   8.931
  181   1HG   LYS  19          HG2       LYS  19   7.267 -10.699   8.369
  182   2HG   LYS  19          HG1       LYS  19   5.692 -11.386   7.963
  183   1HD   LYS  19          HD2       LYS  19   6.863 -11.138   5.917
  184   2HD   LYS  19          HD1       LYS  19   5.667  -9.841   5.967
  185   1HE   LYS  19          HE2       LYS  19   7.566  -8.728   5.262
  186   2HE   LYS  19          HE1       LYS  19   7.595  -8.448   7.002
  187   1HZ   LYS  19          HZ1       LYS  19   9.295 -10.219   5.382
  188   2HZ   LYS  19          HZ2       LYS  19   9.038 -10.577   7.015
  189   3HZ   LYS  19          HZ3       LYS  19   9.741  -9.103   6.573
  190   1HN   NH2  20          NH1       NH2  20   6.594 -11.405  10.200
  191   2HN   NH2  20          NH2       NH2  20   7.060 -10.961  11.804
  Start of MODEL    6
    1   1H    ALA   1          HT1       ALA   1  -5.886   2.883 -12.131
    2   2H    ALA   1          HT2       ALA   1  -4.502   3.347 -13.035
    3   3H    ALA   1          HT3       ALA   1  -5.571   2.153 -13.649
    4    HA   ALA   1           HA       ALA   1  -5.928   4.173 -14.772
    5   1HB   ALA   1          HB1       ALA   1  -8.311   4.448 -14.328
    6   2HB   ALA   1          HB2       ALA   1  -8.133   3.587 -12.799
    7   3HB   ALA   1          HB3       ALA   1  -7.856   2.744 -14.324
    8    H    LYS   2           HN       LYS   2  -6.946   4.683 -11.386
    9    HA   LYS   2           HA       LYS   2  -6.353   7.535 -11.694
   10   1HB   LYS   2          HB2       LYS   2  -8.345   6.032 -10.282
   11   2HB   LYS   2          HB1       LYS   2  -7.436   7.000  -9.129
   12   1HG   LYS   2          HG2       LYS   2  -8.970   8.552  -9.673
   13   2HG   LYS   2          HG1       LYS   2  -7.862   8.853 -11.013
   14   1HD   LYS   2          HD2       LYS   2  -9.179   7.349 -12.432
   15   2HD   LYS   2          HD1       LYS   2 -10.291   7.062 -11.092
   16   1HE   LYS   2          HE2       LYS   2 -11.120   8.734 -12.728
   17   2HE   LYS   2          HE1       LYS   2 -10.970   9.365 -11.089
   18   1HZ   LYS   2          HZ1       LYS   2 -10.126  10.914 -12.756
   19   2HZ   LYS   2          HZ2       LYS   2  -8.987   9.772 -13.263
   20   3HZ   LYS   2          HZ3       LYS   2  -8.899  10.418 -11.702
   21    H    LYS   3           HN       LYS   3  -4.296   5.413 -11.346
   22    HA   LYS   3           HA       LYS   3  -2.449   4.902 -10.081
   23   1HB   LYS   3          HB2       LYS   3  -1.131   6.832  -9.462
   24   2HB   LYS   3          HB1       LYS   3  -1.920   7.148 -11.001
   25   1HG   LYS   3          HG2       LYS   3  -3.373   8.700 -10.087
   26   2HG   LYS   3          HG1       LYS   3  -3.171   8.073  -8.449
   27   1HD   LYS   3          HD2       LYS   3  -1.843   9.891  -8.230
   28   2HD   LYS   3          HD1       LYS   3  -0.644   8.824  -8.963
   29   1HE   LYS   3          HE2       LYS   3  -0.420  10.637 -10.328
   30   2HE   LYS   3          HE1       LYS   3  -1.689   9.774 -11.196
   31   1HZ   LYS   3          HZ1       LYS   3  -3.335  11.169 -10.138
   32   2HZ   LYS   3          HZ2       LYS   3  -2.195  12.133 -10.932
   33   3HZ   LYS   3          HZ3       LYS   3  -2.140  11.972  -9.249
   34    H    VAL   4           HN       VAL   4  -4.825   4.438  -8.699
   35    HA   VAL   4           HA       VAL   4  -4.684   5.421  -6.024
   36    HB   VAL   4           HB       VAL   4  -6.753   4.397  -6.873
   37   1HG1  VAL   4          HG11      VAL   4  -5.759   1.637  -6.647
   38   2HG1  VAL   4          HG12      VAL   4  -5.174   2.542  -8.042
   39   3HG1  VAL   4          HG13      VAL   4  -6.907   2.343  -7.785
   40   1HG2  VAL   4          HG21      VAL   4  -5.758   2.585  -4.702
   41   2HG2  VAL   4          HG22      VAL   4  -7.363   3.285  -4.917
   42   3HG2  VAL   4          HG23      VAL   4  -6.016   4.305  -4.409
   43    H    PHE   5           HN       PHE   5  -2.852   3.384  -7.901
   44    HA   PHE   5           HA       PHE   5  -1.890   1.350  -6.417
   45   1HB   PHE   5          HB2       PHE   5  -1.316   1.970  -8.779
   46   2HB   PHE   5          HB1       PHE   5  -0.235   3.196  -8.137
   47    HD1  PHE   5           HD1      PHE   5  -0.806  -0.414  -8.494
   48    HD2  PHE   5           HD2      PHE   5   1.894   2.614  -7.212
   49    HE1  PHE   5           HE1      PHE   5   0.996  -2.084  -8.359
   50    HE2  PHE   5           HE2      PHE   5   3.701   0.951  -7.074
   51    HZ   PHE   5           HZ       PHE   5   3.254  -1.402  -7.649
   52    H    LYS   6           HN       LYS   6  -1.365   4.685  -5.932
   53    HA   LYS   6           HA       LYS   6   0.946   4.505  -4.287
   54   1HB   LYS   6          HB2       LYS   6  -0.353   6.568  -5.476
   55   2HB   LYS   6          HB1       LYS   6  -0.926   6.750  -3.824
   56   1HG   LYS   6          HG2       LYS   6   1.919   6.313  -3.869
   57   2HG   LYS   6          HG1       LYS   6   1.473   7.674  -4.900
   58   1HD   LYS   6          HD2       LYS   6   0.506   8.851  -3.127
   59   2HD   LYS   6          HD1       LYS   6   0.378   7.408  -2.119
   60   1HE   LYS   6          HE2       LYS   6   3.061   8.410  -2.981
   61   2HE   LYS   6          HE1       LYS   6   2.227   9.171  -1.627
   62   1HZ   LYS   6          HZ1       LYS   6   2.846   6.273  -1.818
   63   2HZ   LYS   6          HZ2       LYS   6   2.149   7.065  -0.497
   64   3HZ   LYS   6          HZ3       LYS   6   3.749   7.397  -0.933
   65    H    ARG   7           HN       ARG   7  -2.528   4.568  -3.665
   66    HA   ARG   7           HA       ARG   7  -2.387   4.667  -0.855
   67   1HB   ARG   7          HB2       ARG   7  -4.477   3.565  -2.734
   68   2HB   ARG   7          HB1       ARG   7  -4.684   3.581  -0.988
   69   1HG   ARG   7          HG2       ARG   7  -4.354   6.056  -1.052
   70   2HG   ARG   7          HG1       ARG   7  -4.383   5.952  -2.814
   71   1HD   ARG   7          HD2       ARG   7  -6.626   4.588  -2.232
   72   2HD   ARG   7          HD1       ARG   7  -6.577   5.687  -0.854
   73    HE   ARG   7           HE       ARG   7  -6.153   7.116  -3.253
   74   1HH1  ARG   7          HH11      ARG   7  -8.671   5.506  -1.451
   75   2HH1  ARG   7          HH12      ARG   7  -9.937   6.496  -2.096
   76   1HH2  ARG   7          HH21      ARG   7  -7.818   8.419  -4.101
   77   2HH2  ARG   7          HH22      ARG   7  -9.453   8.149  -3.600
   78    H    LEU   8           HN       LEU   8  -2.102   2.068  -3.176
   79    HA   LEU   8           HA       LEU   8  -2.389  -0.110  -1.419
   80   1HB   LEU   8          HB2       LEU   8  -1.036   0.278  -4.065
   81   2HB   LEU   8          HB1       LEU   8  -0.824  -1.226  -3.189
   82    HG   LEU   8           HG       LEU   8  -3.574  -0.181  -3.775
   83   1HD1  LEU   8          HD11      LEU   8  -1.835  -0.557  -5.806
   84   2HD1  LEU   8          HD12      LEU   8  -3.572  -0.848  -5.922
   85   3HD1  LEU   8          HD13      LEU   8  -2.470  -2.193  -5.614
   86   1HD2  LEU   8          HD21      LEU   8  -3.144  -2.063  -2.158
   87   2HD2  LEU   8          HD22      LEU   8  -2.563  -3.004  -3.532
   88   3HD2  LEU   8          HD23      LEU   8  -4.233  -2.439  -3.493
   89    H    GLU   9           HN       GLU   9   0.280   2.037  -2.129
   90    HA   GLU   9           HA       GLU   9   2.343   0.486  -0.983
   91   1HB   GLU   9          HB2       GLU   9   2.153   3.500  -1.172
   92   2HB   GLU   9          HB1       GLU   9   3.621   2.570  -0.909
   93   1HG   GLU   9          HG2       GLU   9   1.910   2.573  -3.382
   94   2HG   GLU   9          HG1       GLU   9   3.511   3.287  -3.198
   95    H    LYS  10           HN       LYS  10   0.092   2.853   0.367
   96    HA   LYS  10           HA       LYS  10   1.283   2.927   2.947
   97   1HB   LYS  10          HB2       LYS  10  -0.566   4.458   1.764
   98   2HB   LYS  10          HB1       LYS  10  -1.646   3.388   2.648
   99   1HG   LYS  10          HG2       LYS  10   0.621   4.691   4.081
  100   2HG   LYS  10          HG1       LYS  10  -0.835   5.620   3.715
  101   1HD   LYS  10          HD2       LYS  10  -2.102   3.640   4.767
  102   2HD   LYS  10          HD1       LYS  10  -0.536   3.183   5.440
  103   1HE   LYS  10          HE2       LYS  10  -0.451   4.995   6.832
  104   2HE   LYS  10          HE1       LYS  10  -1.428   5.999   5.763
  105   1HZ   LYS  10          HZ1       LYS  10  -2.316   3.962   7.703
  106   2HZ   LYS  10          HZ2       LYS  10  -3.309   4.403   6.407
  107   3HZ   LYS  10          HZ3       LYS  10  -2.828   5.567   7.537
  108    H    LEU  11           HN       LEU  11  -1.243   0.981   1.458
  109    HA   LEU  11           HA       LEU  11  -1.955  -0.396   3.841
  110   1HB   LEU  11          HB2       LEU  11  -2.432  -0.885   0.921
  111   2HB   LEU  11          HB1       LEU  11  -2.869  -2.100   2.108
  112    HG   LEU  11           HG       LEU  11  -3.873   0.682   2.493
  113   1HD1  LEU  11          HD11      LEU  11  -5.900  -0.048   1.133
  114   2HD1  LEU  11          HD12      LEU  11  -4.837  -1.261   0.420
  115   3HD1  LEU  11          HD13      LEU  11  -4.465   0.454   0.239
  116   1HD2  LEU  11          HD21      LEU  11  -5.389  -0.292   3.861
  117   2HD2  LEU  11          HD22      LEU  11  -4.154  -1.549   3.944
  118   3HD2  LEU  11          HD23      LEU  11  -5.531  -1.736   2.858
  119    H    PHE  12           HN       PHE  12   0.657  -0.580   1.692
  120    HA   PHE  12           HA       PHE  12   1.332  -3.329   2.121
  121   1HB   PHE  12          HB2       PHE  12   2.123  -1.449   0.303
  122   2HB   PHE  12          HB1       PHE  12   3.507  -1.473   1.392
  123    HD1  PHE  12           HD1      PHE  12   2.090  -2.921  -1.454
  124    HD2  PHE  12           HD2      PHE  12   4.357  -3.897   2.014
  125    HE1  PHE  12           HE1      PHE  12   2.925  -4.946  -2.574
  126    HE2  PHE  12           HE2      PHE  12   5.197  -5.924   0.899
  127    HZ   PHE  12           HZ       PHE  12   4.481  -6.450  -1.398
  128    H    SER  13           HN       SER  13   2.097  -0.252   3.624
  129    HA   SER  13           HA       SER  13   4.233  -1.157   5.242
  130   1HB   SER  13          HB2       SER  13   3.476   1.271   4.743
  131   2HB   SER  13          HB1       SER  13   2.340   1.034   6.069
  132    HG   SER  13           HG       SER  13   4.148   1.861   6.990
  133    H    LYS  14           HN       LYS  14   0.747  -1.204   5.599
  134    HA   LYS  14           HA       LYS  14   0.668  -1.900   8.339
  135   1HB   LYS  14          HB2       LYS  14  -1.259  -1.074   6.891
  136   2HB   LYS  14          HB1       LYS  14  -1.365  -2.712   6.261
  137   1HG   LYS  14          HG2       LYS  14  -1.692  -3.508   8.606
  138   2HG   LYS  14          HG1       LYS  14  -1.792  -1.817   9.100
  139   1HD   LYS  14          HD2       LYS  14  -3.810  -1.487   8.038
  140   2HD   LYS  14          HD1       LYS  14  -3.531  -2.788   6.879
  141   1HE   LYS  14          HE2       LYS  14  -4.917  -3.995   8.150
  142   2HE   LYS  14          HE1       LYS  14  -3.568  -4.118   9.279
  143   1HZ   LYS  14          HZ1       LYS  14  -5.211  -1.728   9.495
  144   2HZ   LYS  14          HZ2       LYS  14  -4.519  -2.681  10.710
  145   3HZ   LYS  14          HZ3       LYS  14  -5.950  -3.178   9.958
  146    H    ILE  15           HN       ILE  15   1.173  -3.720   5.409
  147    HA   ILE  15           HA       ILE  15   0.693  -6.303   6.458
  148    HB   ILE  15           HB       ILE  15   2.603  -5.584   4.230
  149   1HG1  ILE  15          HG12      ILE  15  -0.364  -6.170   4.110
  150   2HG1  ILE  15          HG11      ILE  15   0.388  -4.604   3.824
  151   1HG2  ILE  15          HG21      ILE  15   2.289  -7.986   5.413
  152   2HG2  ILE  15          HG22      ILE  15   2.719  -7.776   3.716
  153   3HG2  ILE  15          HG23      ILE  15   1.042  -8.081   4.169
  154   1HD1  ILE  15          HD11      ILE  15   1.312  -5.290   1.798
  155   2HD1  ILE  15          HD12      ILE  15  -0.308  -5.987   1.801
  156   3HD1  ILE  15          HD13      ILE  15   1.088  -6.999   2.171
  157    H    TRP  16           HN       TRP  16   3.495  -4.181   6.428
  158    HA   TRP  16           HA       TRP  16   5.327  -6.145   7.380
  159   1HB   TRP  16          HB2       TRP  16   5.491  -3.126   7.448
  160   2HB   TRP  16          HB1       TRP  16   6.824  -4.217   7.815
  161    HD1  TRP  16           HD1      TRP  16   5.983  -2.072   5.174
  162    HE1  TRP  16           HE1      TRP  16   6.746  -2.925   2.870
  163    HE3  TRP  16           HE3      TRP  16   6.789  -6.982   6.353
  164    HZ2  TRP  16           HZ2      TRP  16   7.580  -5.357   1.705
  165    HZ3  TRP  16           HZ3      TRP  16   7.570  -8.506   4.586
  166    HH2  TRP  16           HH2      TRP  16   7.957  -7.709   2.310
  167    H    ASN  17           HN       ASN  17   2.866  -4.345   8.835
  168    HA   ASN  17           HA       ASN  17   4.015  -4.344  11.490
  169   1HB   ASN  17          HB2       ASN  17   1.742  -3.113  10.175
  170   2HB   ASN  17          HB1       ASN  17   1.265  -3.841  11.706
  171   1HD2  ASN  17          HD21      ASN  17   0.853  -1.633  12.342
  172   2HD2  ASN  17          HD22      ASN  17   2.156  -0.660  12.925
  173    H    ASP  18           HN       ASP  18   1.767  -6.238   9.592
  174    HA   ASP  18           HA       ASP  18   0.976  -7.872  11.849
  175   1HB   ASP  18          HB2       ASP  18   0.257  -7.773   8.943
  176   2HB   ASP  18          HB1       ASP  18  -0.101  -9.225   9.873
  177    H    LYS  19           HN       LYS  19   3.257  -7.970   9.215
  178    HA   LYS  19           HA       LYS  19   3.804 -10.745   9.273
  179   1HB   LYS  19          HB2       LYS  19   4.431  -9.030   7.471
  180   2HB   LYS  19          HB1       LYS  19   5.796  -8.623   8.501
  181   1HG   LYS  19          HG2       LYS  19   6.862 -10.189   7.311
  182   2HG   LYS  19          HG1       LYS  19   6.032 -11.319   8.383
  183   1HD   LYS  19          HD2       LYS  19   4.122 -11.173   6.625
  184   2HD   LYS  19          HD1       LYS  19   5.390 -10.563   5.559
  185   1HE   LYS  19          HE2       LYS  19   6.687 -12.673   6.460
  186   2HE   LYS  19          HE1       LYS  19   5.055 -13.262   6.772
  187   1HZ   LYS  19          HZ1       LYS  19   5.770 -12.160   4.132
  188   2HZ   LYS  19          HZ2       LYS  19   4.531 -13.240   4.533
  189   3HZ   LYS  19          HZ3       LYS  19   6.138 -13.766   4.519
  190   1HN   NH2  20          NH1       NH2  20   3.901 -11.164  11.540
  191   2HN   NH2  20          NH2       NH2  20   5.349 -10.857  12.432
  Start of MODEL    7
    1   1H    ALA   1          HT1       ALA   1  -6.839   9.873 -13.910
    2   2H    ALA   1          HT2       ALA   1  -6.758   8.179 -14.174
    3   3H    ALA   1          HT3       ALA   1  -5.352   9.046 -13.707
    4    HA   ALA   1           HA       ALA   1  -6.066   9.359 -11.592
    5   1HB   ALA   1          HB1       ALA   1  -8.187   9.739 -11.006
    6   2HB   ALA   1          HB2       ALA   1  -8.763   8.268 -11.791
    7   3HB   ALA   1          HB3       ALA   1  -8.530   9.740 -12.736
    8    H    LYS   2           HN       LYS   2  -4.978   7.146 -13.116
    9    HA   LYS   2           HA       LYS   2  -6.056   4.808 -11.715
   10   1HB   LYS   2          HB2       LYS   2  -5.461   4.987 -14.291
   11   2HB   LYS   2          HB1       LYS   2  -3.848   4.596 -13.710
   12   1HG   LYS   2          HG2       LYS   2  -5.357   2.730 -12.426
   13   2HG   LYS   2          HG1       LYS   2  -6.225   2.910 -13.952
   14   1HD   LYS   2          HD2       LYS   2  -4.729   1.454 -14.768
   15   2HD   LYS   2          HD1       LYS   2  -3.609   2.818 -14.768
   16   1HE   LYS   2          HE2       LYS   2  -3.855   1.431 -12.194
   17   2HE   LYS   2          HE1       LYS   2  -3.182   0.450 -13.495
   18   1HZ   LYS   2          HZ1       LYS   2  -1.800   2.690 -13.821
   19   2HZ   LYS   2          HZ2       LYS   2  -1.284   1.426 -12.822
   20   3HZ   LYS   2          HZ3       LYS   2  -2.061   2.770 -12.151
   21    H    LYS   3           HN       LYS   3  -4.517   6.836 -10.325
   22    HA   LYS   3           HA       LYS   3  -2.001   5.426  -9.750
   23   1HB   LYS   3          HB2       LYS   3  -2.670   8.169  -9.946
   24   2HB   LYS   3          HB1       LYS   3  -2.328   7.867  -8.249
   25   1HG   LYS   3          HG2       LYS   3  -0.208   8.249  -8.852
   26   2HG   LYS   3          HG1       LYS   3  -0.257   6.577  -9.417
   27   1HD   LYS   3          HD2       LYS   3  -0.460   7.192 -11.633
   28   2HD   LYS   3          HD1       LYS   3  -1.144   8.771 -11.239
   29   1HE   LYS   3          HE2       LYS   3   1.638   8.195 -10.369
   30   2HE   LYS   3          HE1       LYS   3   1.354   8.489 -12.083
   31   1HZ   LYS   3          HZ1       LYS   3   1.660  10.381 -10.107
   32   2HZ   LYS   3          HZ2       LYS   3   0.013  10.419 -10.489
   33   3HZ   LYS   3          HZ3       LYS   3   1.167  10.652 -11.703
   34    H    VAL   4           HN       VAL   4  -4.399   4.258  -8.929
   35    HA   VAL   4           HA       VAL   4  -4.890   4.746  -6.157
   36    HB   VAL   4           HB       VAL   4  -6.534   3.528  -7.524
   37   1HG1  VAL   4          HG11      VAL   4  -5.009   1.011  -7.526
   38   2HG1  VAL   4          HG12      VAL   4  -4.437   2.250  -8.643
   39   3HG1  VAL   4          HG13      VAL   4  -6.103   1.679  -8.737
   40   1HG2  VAL   4          HG21      VAL   4  -5.392   1.771  -5.353
   41   2HG2  VAL   4          HG22      VAL   4  -7.046   1.746  -5.965
   42   3HG2  VAL   4          HG23      VAL   4  -6.451   3.156  -5.088
   43    H    PHE   5           HN       PHE   5  -2.390   3.482  -7.936
   44    HA   PHE   5           HA       PHE   5  -1.241   1.420  -6.652
   45   1HB   PHE   5          HB2       PHE   5  -0.427   2.601  -8.697
   46   2HB   PHE   5          HB1       PHE   5   0.189   3.878  -7.660
   47    HD1  PHE   5           HD1      PHE   5   2.388   3.788  -6.979
   48    HD2  PHE   5           HD2      PHE   5   0.427   0.182  -8.103
   49    HE1  PHE   5           HE1      PHE   5   4.506   2.561  -6.722
   50    HE2  PHE   5           HE2      PHE   5   2.541  -1.051  -7.848
   51    HZ   PHE   5           HZ       PHE   5   4.584   0.138  -7.156
   52    H    LYS   6           HN       LYS   6  -1.535   4.632  -5.526
   53    HA   LYS   6           HA       LYS   6   0.430   4.551  -3.486
   54   1HB   LYS   6          HB2       LYS   6  -1.511   6.420  -4.454
   55   2HB   LYS   6          HB1       LYS   6  -1.676   6.300  -2.708
   56   1HG   LYS   6          HG2       LYS   6  -0.147   8.017  -2.999
   57   2HG   LYS   6          HG1       LYS   6   0.869   6.618  -2.645
   58   1HD   LYS   6          HD2       LYS   6   1.563   6.410  -4.862
   59   2HD   LYS   6          HD1       LYS   6   0.213   7.368  -5.472
   60   1HE   LYS   6          HE2       LYS   6   1.313   9.257  -4.020
   61   2HE   LYS   6          HE1       LYS   6   2.756   8.259  -4.195
   62   1HZ   LYS   6          HZ1       LYS   6   2.046  10.120  -5.946
   63   2HZ   LYS   6          HZ2       LYS   6   1.264   8.787  -6.632
   64   3HZ   LYS   6          HZ3       LYS   6   2.934   8.744  -6.373
   65    H    ARG   7           HN       ARG   7  -3.037   3.853  -3.561
   66    HA   ARG   7           HA       ARG   7  -3.351   3.361  -0.806
   67   1HB   ARG   7          HB2       ARG   7  -4.874   2.696  -3.274
   68   2HB   ARG   7          HB1       ARG   7  -5.237   1.764  -1.826
   69   1HG   ARG   7          HG2       ARG   7  -5.466   4.056  -0.674
   70   2HG   ARG   7          HG1       ARG   7  -5.583   4.694  -2.315
   71   1HD   ARG   7          HD2       ARG   7  -7.799   4.297  -1.493
   72   2HD   ARG   7          HD1       ARG   7  -7.442   3.102  -2.739
   73    HE   ARG   7           HE       ARG   7  -6.781   2.024  -0.237
   74   1HH1  ARG   7          HH11      ARG   7  -9.592   2.981  -2.069
   75   2HH1  ARG   7          HH12      ARG   7 -10.639   1.838  -1.297
   76   1HH2  ARG   7          HH21      ARG   7  -8.158   0.519   0.780
   77   2HH2  ARG   7          HH22      ARG   7  -9.826   0.441   0.320
   78    H    LEU   8           HN       LEU   8  -2.238   1.386  -3.478
   79    HA   LEU   8           HA       LEU   8  -2.325  -1.112  -2.162
   80   1HB   LEU   8          HB2       LEU   8  -1.977  -0.560  -4.670
   81   2HB   LEU   8          HB1       LEU   8  -0.283  -0.404  -4.247
   82    HG   LEU   8           HG       LEU   8  -0.703  -2.810  -3.192
   83   1HD1  LEU   8          HD11      LEU   8  -2.847  -3.396  -3.605
   84   2HD1  LEU   8          HD12      LEU   8  -2.165  -3.896  -5.152
   85   3HD1  LEU   8          HD13      LEU   8  -2.982  -2.340  -5.011
   86   1HD2  LEU   8          HD21      LEU   8  -0.444  -2.839  -6.142
   87   2HD2  LEU   8          HD22      LEU   8   0.559  -3.599  -4.906
   88   3HD2  LEU   8          HD23      LEU   8   0.724  -1.875  -5.239
   89    H    GLU   9           HN       GLU   9   0.112   1.433  -2.349
   90    HA   GLU   9           HA       GLU   9   2.168  -0.016  -1.040
   91   1HB   GLU   9          HB2       GLU   9   1.664   2.925  -1.465
   92   2HB   GLU   9          HB1       GLU   9   3.048   2.349  -0.546
   93   1HG   GLU   9          HG2       GLU   9   3.157   0.858  -2.859
   94   2HG   GLU   9          HG1       GLU   9   2.621   2.443  -3.414
   95    H    LYS  10           HN       LYS  10  -0.590   1.802   0.055
   96    HA   LYS  10           HA       LYS  10   0.244   2.097   2.761
   97   1HB   LYS  10          HB2       LYS  10  -2.381   2.323   1.322
   98   2HB   LYS  10          HB1       LYS  10  -2.339   2.337   3.080
   99   1HG   LYS  10          HG2       LYS  10  -0.621   4.217   2.839
  100   2HG   LYS  10          HG1       LYS  10  -1.161   4.313   1.161
  101   1HD   LYS  10          HD2       LYS  10  -3.536   4.287   2.484
  102   2HD   LYS  10          HD1       LYS  10  -2.511   5.144   3.636
  103   1HE   LYS  10          HE2       LYS  10  -2.791   5.862   0.721
  104   2HE   LYS  10          HE1       LYS  10  -3.676   6.640   2.033
  105   1HZ   LYS  10          HZ1       LYS  10  -1.211   6.911   2.934
  106   2HZ   LYS  10          HZ2       LYS  10  -1.932   8.049   1.911
  107   3HZ   LYS  10          HZ3       LYS  10  -0.874   6.892   1.276
  108    H    LEU  11           HN       LEU  11  -1.649  -0.305   0.991
  109    HA   LEU  11           HA       LEU  11  -2.334  -1.830   3.290
  110   1HB   LEU  11          HB2       LEU  11  -2.572  -2.135   0.365
  111   2HB   LEU  11          HB1       LEU  11  -2.500  -3.633   1.273
  112    HG   LEU  11           HG       LEU  11  -4.805  -3.016   0.898
  113   1HD1  LEU  11          HD11      LEU  11  -5.510  -3.582   2.963
  114   2HD1  LEU  11          HD12      LEU  11  -4.587  -2.301   3.748
  115   3HD1  LEU  11          HD13      LEU  11  -3.784  -3.793   3.260
  116   1HD2  LEU  11          HD21      LEU  11  -5.679  -0.927   2.017
  117   2HD2  LEU  11          HD22      LEU  11  -4.702  -0.677   0.570
  118   3HD2  LEU  11          HD23      LEU  11  -3.999  -0.410   2.165
  119    H    PHE  12           HN       PHE  12   0.460  -1.578   1.352
  120    HA   PHE  12           HA       PHE  12   1.557  -4.143   2.063
  121   1HB   PHE  12          HB2       PHE  12   2.116  -2.286   0.093
  122   2HB   PHE  12          HB1       PHE  12   3.474  -2.100   1.199
  123    HD1  PHE  12           HD1      PHE  12   5.229  -3.638   1.206
  124    HD2  PHE  12           HD2      PHE  12   1.596  -4.600  -0.790
  125    HE1  PHE  12           HE1      PHE  12   6.296  -5.630   0.233
  126    HE2  PHE  12           HE2      PHE  12   2.656  -6.594  -1.767
  127    HZ   PHE  12           HZ       PHE  12   5.009  -7.111  -1.255
  128    H    SER  13           HN       SER  13   1.678  -0.858   3.243
  129    HA   SER  13           HA       SER  13   3.857  -1.223   5.033
  130   1HB   SER  13          HB2       SER  13   2.828   0.991   4.175
  131   2HB   SER  13          HB1       SER  13   1.635   0.769   5.455
  132    HG   SER  13           HG       SER  13   3.944   1.883   5.720
  133    H    LYS  14           HN       LYS  14   0.430  -1.856   5.162
  134    HA   LYS  14           HA       LYS  14   0.215  -2.136   7.978
  135   1HB   LYS  14          HB2       LYS  14  -1.631  -1.930   6.112
  136   2HB   LYS  14          HB1       LYS  14  -1.521  -3.684   6.093
  137   1HG   LYS  14          HG2       LYS  14  -1.980  -2.144   8.626
  138   2HG   LYS  14          HG1       LYS  14  -3.302  -2.646   7.571
  139   1HD   LYS  14          HD2       LYS  14  -1.754  -4.934   7.881
  140   2HD   LYS  14          HD1       LYS  14  -1.765  -4.192   9.482
  141   1HE   LYS  14          HE2       LYS  14  -3.624  -5.708   9.310
  142   2HE   LYS  14          HE1       LYS  14  -4.235  -4.055   9.350
  143   1HZ   LYS  14          HZ1       LYS  14  -5.416  -4.785   7.595
  144   2HZ   LYS  14          HZ2       LYS  14  -4.319  -6.012   7.203
  145   3HZ   LYS  14          HZ3       LYS  14  -4.007  -4.418   6.733
  146    H    ILE  15           HN       ILE  15   1.053  -4.332   5.355
  147    HA   ILE  15           HA       ILE  15   0.990  -6.707   6.907
  148    HB   ILE  15           HB       ILE  15   2.676  -6.181   4.455
  149   1HG1  ILE  15          HG12      ILE  15  -0.145  -7.266   4.627
  150   2HG1  ILE  15          HG11      ILE  15   0.285  -5.651   4.073
  151   1HG2  ILE  15          HG21      ILE  15   3.453  -8.206   5.073
  152   2HG2  ILE  15          HG22      ILE  15   1.963  -8.774   4.318
  153   3HG2  ILE  15          HG23      ILE  15   2.041  -8.564   6.067
  154   1HD1  ILE  15          HD11      ILE  15   0.911  -6.378   2.048
  155   2HD1  ILE  15          HD12      ILE  15  -0.103  -7.764   2.451
  156   3HD1  ILE  15          HD13      ILE  15   1.643  -7.851   2.685
  157    H    TRP  16           HN       TRP  16   3.421  -4.256   6.292
  158    HA   TRP  16           HA       TRP  16   5.545  -5.717   7.537
  159   1HB   TRP  16          HB2       TRP  16   5.368  -3.426   5.948
  160   2HB   TRP  16          HB1       TRP  16   5.936  -2.839   7.508
  161    HD1  TRP  16           HD1      TRP  16   6.882  -5.899   5.291
  162    HE1  TRP  16           HE1      TRP  16   9.451  -6.023   5.184
  163    HE3  TRP  16           HE3      TRP  16   8.011  -1.843   8.190
  164    HZ2  TRP  16           HZ2      TRP  16  11.663  -4.591   6.196
  165    HZ3  TRP  16           HZ3      TRP  16  10.378  -1.288   8.572
  166    HH2  TRP  16           HH2      TRP  16  12.165  -2.635   7.595
  167    H    ASN  17           HN       ASN  17   2.877  -4.009   8.665
  168    HA   ASN  17           HA       ASN  17   4.068  -3.159  11.162
  169   1HB   ASN  17          HB2       ASN  17   2.265  -1.836  10.090
  170   2HB   ASN  17          HB1       ASN  17   1.162  -3.191  10.315
  171   1HD2  ASN  17          HD21      ASN  17  -0.225  -1.995  11.597
  172   2HD2  ASN  17          HD22      ASN  17   0.169  -1.545  13.218
  173    H    ASP  18           HN       ASP  18   2.070  -5.778   9.934
  174    HA   ASP  18           HA       ASP  18   1.633  -6.867  12.584
  175   1HB   ASP  18          HB2       ASP  18   0.439  -8.674  11.404
  176   2HB   ASP  18          HB1       ASP  18  -0.144  -7.082  10.930
  177    H    LYS  19           HN       LYS  19   3.913  -7.202  10.013
  178    HA   LYS  19           HA       LYS  19   4.848  -9.808  10.791
  179   1HB   LYS  19          HB2       LYS  19   5.019  -8.506   8.481
  180   2HB   LYS  19          HB1       LYS  19   6.539  -7.961   9.176
  181   1HG   LYS  19          HG2       LYS  19   7.378 -10.161   9.317
  182   2HG   LYS  19          HG1       LYS  19   5.791 -10.863   8.996
  183   1HD   LYS  19          HD2       LYS  19   5.937  -9.598   6.751
  184   2HD   LYS  19          HD1       LYS  19   7.661  -9.479   7.105
  185   1HE   LYS  19          HE2       LYS  19   7.988 -11.571   6.434
  186   2HE   LYS  19          HE1       LYS  19   6.767 -12.163   7.560
  187   1HZ   LYS  19          HZ1       LYS  19   5.068 -11.756   5.932
  188   2HZ   LYS  19          HZ2       LYS  19   6.276 -12.710   5.231
  189   3HZ   LYS  19          HZ3       LYS  19   6.183 -11.062   4.864
  190   1HN   NH2  20          NH1       NH2  20   5.730  -6.488  11.428
  191   2HN   NH2  20          NH2       NH2  20   6.977  -6.826  12.574
  Start of MODEL    8
    1   1H    ALA   1          HT1       ALA   1  -8.854   9.164 -11.693
    2   2H    ALA   1          HT2       ALA   1  -9.507   7.578 -11.757
    3   3H    ALA   1          HT3       ALA   1  -8.148   7.989 -12.721
    4    HA   ALA   1           HA       ALA   1  -7.042   8.540 -10.529
    5   1HB   ALA   1          HB1       ALA   1  -9.083   6.561  -9.545
    6   2HB   ALA   1          HB2       ALA   1  -9.224   8.300  -9.291
    7   3HB   ALA   1          HB3       ALA   1  -7.858   7.417  -8.610
    8    H    LYS   2           HN       LYS   2  -5.668   7.589 -12.175
    9    HA   LYS   2           HA       LYS   2  -5.649   4.669 -12.277
   10   1HB   LYS   2          HB2       LYS   2  -5.383   6.314 -14.304
   11   2HB   LYS   2          HB1       LYS   2  -3.709   6.387 -13.773
   12   1HG   LYS   2          HG2       LYS   2  -4.663   3.660 -13.927
   13   2HG   LYS   2          HG1       LYS   2  -4.837   4.508 -15.464
   14   1HD   LYS   2          HD2       LYS   2  -2.351   5.290 -14.757
   15   2HD   LYS   2          HD1       LYS   2  -2.405   3.692 -14.009
   16   1HE   LYS   2          HE2       LYS   2  -3.310   4.036 -16.834
   17   2HE   LYS   2          HE1       LYS   2  -1.585   3.969 -16.475
   18   1HZ   LYS   2          HZ1       LYS   2  -3.167   1.897 -15.222
   19   2HZ   LYS   2          HZ2       LYS   2  -1.684   1.789 -16.029
   20   3HZ   LYS   2          HZ3       LYS   2  -3.126   1.822 -16.912
   21    H    LYS   3           HN       LYS   3  -4.331   7.020 -10.360
   22    HA   LYS   3           HA       LYS   3  -1.827   5.526  -9.930
   23   1HB   LYS   3          HB2       LYS   3  -2.261   8.255 -10.179
   24   2HB   LYS   3          HB1       LYS   3  -2.131   8.028  -8.441
   25   1HG   LYS   3          HG2       LYS   3  -0.016   6.602  -9.171
   26   2HG   LYS   3          HG1       LYS   3  -0.093   7.687 -10.560
   27   1HD   LYS   3          HD2       LYS   3  -0.354   9.523  -8.691
   28   2HD   LYS   3          HD1       LYS   3   0.434   8.300  -7.691
   29   1HE   LYS   3          HE2       LYS   3   2.403   8.425  -8.847
   30   2HE   LYS   3          HE1       LYS   3   1.616   8.906 -10.350
   31   1HZ   LYS   3          HZ1       LYS   3   1.391  11.105  -9.592
   32   2HZ   LYS   3          HZ2       LYS   3   2.973  10.660  -9.193
   33   3HZ   LYS   3          HZ3       LYS   3   1.779  10.697  -7.996
   34    H    VAL   4           HN       VAL   4  -4.236   4.445  -9.045
   35    HA   VAL   4           HA       VAL   4  -4.641   4.922  -6.261
   36    HB   VAL   4           HB       VAL   4  -5.181   2.355  -7.773
   37   1HG1  VAL   4          HG11      VAL   4  -6.929   2.058  -6.026
   38   2HG1  VAL   4          HG12      VAL   4  -6.276   3.470  -5.196
   39   3HG1  VAL   4          HG13      VAL   4  -5.281   2.028  -5.400
   40   1HG2  VAL   4          HG21      VAL   4  -7.219   4.494  -7.264
   41   2HG2  VAL   4          HG22      VAL   4  -7.280   3.151  -8.405
   42   3HG2  VAL   4          HG23      VAL   4  -6.210   4.519  -8.710
   43    H    PHE   5           HN       PHE   5  -2.219   3.598  -8.104
   44    HA   PHE   5           HA       PHE   5  -1.099   1.497  -6.863
   45   1HB   PHE   5          HB2       PHE   5  -0.287   2.666  -8.909
   46   2HB   PHE   5          HB1       PHE   5   0.367   3.930  -7.880
   47    HD1  PHE   5           HD1      PHE   5   2.662   3.829  -7.909
   48    HD2  PHE   5           HD2      PHE   5   0.447   0.204  -7.657
   49    HE1  PHE   5           HE1      PHE   5   4.762   2.566  -7.686
   50    HE2  PHE   5           HE2      PHE   5   2.543  -1.066  -7.433
   51    HZ   PHE   5           HZ       PHE   5   4.704   0.116  -7.447
   52    H    LYS   6           HN       LYS   6  -1.276   4.705  -5.700
   53    HA   LYS   6           HA       LYS   6   0.723   4.547  -3.699
   54   1HB   LYS   6          HB2       LYS   6  -1.165   6.485  -4.617
   55   2HB   LYS   6          HB1       LYS   6  -1.335   6.342  -2.873
   56   1HG   LYS   6          HG2       LYS   6   1.204   6.948  -4.373
   57   2HG   LYS   6          HG1       LYS   6   0.239   8.088  -3.433
   58   1HD   LYS   6          HD2       LYS   6   1.062   7.354  -1.467
   59   2HD   LYS   6          HD1       LYS   6   1.062   5.666  -1.984
   60   1HE   LYS   6          HE2       LYS   6   3.138   5.875  -3.048
   61   2HE   LYS   6          HE1       LYS   6   3.052   7.636  -3.062
   62   1HZ   LYS   6          HZ1       LYS   6   4.600   6.659  -1.385
   63   2HZ   LYS   6          HZ2       LYS   6   3.253   6.039  -0.571
   64   3HZ   LYS   6          HZ3       LYS   6   3.441   7.711  -0.742
   65    H    ARG   7           HN       ARG   7  -2.762   3.946  -3.713
   66    HA   ARG   7           HA       ARG   7  -3.035   3.434  -0.958
   67   1HB   ARG   7          HB2       ARG   7  -4.623   2.779  -3.400
   68   2HB   ARG   7          HB1       ARG   7  -5.001   1.929  -1.907
   69   1HG   ARG   7          HG2       ARG   7  -6.407   3.910  -2.251
   70   2HG   ARG   7          HG1       ARG   7  -5.438   4.018  -0.780
   71   1HD   ARG   7          HD2       ARG   7  -3.837   5.451  -1.915
   72   2HD   ARG   7          HD1       ARG   7  -4.743   5.301  -3.420
   73    HE   ARG   7           HE       ARG   7  -5.345   7.015  -1.202
   74   1HH1  ARG   7          HH11      ARG   7  -6.705   5.299  -3.919
   75   2HH1  ARG   7          HH12      ARG   7  -8.074   6.351  -4.058
   76   1HH2  ARG   7          HH21      ARG   7  -7.144   8.400  -1.383
   77   2HH2  ARG   7          HH22      ARG   7  -8.323   8.111  -2.619
   78    H    LEU   8           HN       LEU   8  -2.037   1.453  -3.672
   79    HA   LEU   8           HA       LEU   8  -2.165  -1.054  -2.378
   80   1HB   LEU   8          HB2       LEU   8  -1.966  -0.742  -4.832
   81   2HB   LEU   8          HB1       LEU   8  -0.320  -0.182  -4.605
   82    HG   LEU   8           HG       LEU   8  -0.960  -2.850  -3.489
   83   1HD1  LEU   8          HD11      LEU   8  -2.143  -2.801  -5.681
   84   2HD1  LEU   8          HD12      LEU   8  -0.834  -3.979  -5.592
   85   3HD1  LEU   8          HD13      LEU   8  -0.595  -2.459  -6.453
   86   1HD2  LEU   8          HD21      LEU   8   1.289  -1.606  -3.518
   87   2HD2  LEU   8          HD22      LEU   8   1.349  -2.048  -5.224
   88   3HD2  LEU   8          HD23      LEU   8   1.270  -3.305  -3.990
   89    H    GLU   9           HN       GLU   9   0.343   1.419  -2.606
   90    HA   GLU   9           HA       GLU   9   2.371  -0.104  -1.329
   91   1HB   GLU   9          HB2       GLU   9   1.971   2.747  -2.064
   92   2HB   GLU   9          HB1       GLU   9   3.137   2.416  -0.790
   93   1HG   GLU   9          HG2       GLU   9   3.175   1.333  -3.596
   94   2HG   GLU   9          HG1       GLU   9   4.265   2.534  -2.905
   95    H    LYS  10           HN       LYS  10  -0.288   1.841  -0.208
   96    HA   LYS  10           HA       LYS  10   0.604   2.126   2.480
   97   1HB   LYS  10          HB2       LYS  10  -1.747   2.817   0.922
   98   2HB   LYS  10          HB1       LYS  10  -2.192   2.212   2.512
   99   1HG   LYS  10          HG2       LYS  10  -1.479   4.057   3.541
  100   2HG   LYS  10          HG1       LYS  10  -0.002   4.137   2.578
  101   1HD   LYS  10          HD2       LYS  10  -2.487   4.767   1.131
  102   2HD   LYS  10          HD1       LYS  10  -2.040   5.912   2.397
  103   1HE   LYS  10          HE2       LYS  10   0.313   5.802   1.307
  104   2HE   LYS  10          HE1       LYS  10  -0.552   5.159  -0.088
  105   1HZ   LYS  10          HZ1       LYS  10  -0.529   7.849   0.999
  106   2HZ   LYS  10          HZ2       LYS  10  -2.040   7.289   0.484
  107   3HZ   LYS  10          HZ3       LYS  10  -0.739   7.326  -0.596
  108    H    LEU  11           HN       LEU  11  -1.339  -0.240   0.738
  109    HA   LEU  11           HA       LEU  11  -2.117  -1.705   3.045
  110   1HB   LEU  11          HB2       LEU  11  -3.128  -1.718   0.653
  111   2HB   LEU  11          HB1       LEU  11  -1.892  -2.914   0.313
  112    HG   LEU  11           HG       LEU  11  -2.804  -4.346   2.109
  113   1HD1  LEU  11          HD11      LEU  11  -3.909  -3.149   3.678
  114   2HD1  LEU  11          HD12      LEU  11  -5.294  -3.546   2.661
  115   3HD1  LEU  11          HD13      LEU  11  -4.515  -1.971   2.514
  116   1HD2  LEU  11          HD21      LEU  11  -5.174  -3.766   0.442
  117   2HD2  LEU  11          HD22      LEU  11  -4.330  -5.288   0.730
  118   3HD2  LEU  11          HD23      LEU  11  -3.671  -4.116  -0.412
  119    H    PHE  12           HN       PHE  12   0.733  -1.555   1.181
  120    HA   PHE  12           HA       PHE  12   1.745  -4.138   1.949
  121   1HB   PHE  12          HB2       PHE  12   2.390  -2.728  -0.137
  122   2HB   PHE  12          HB1       PHE  12   3.453  -1.862   0.968
  123    HD1  PHE  12           HD1      PHE  12   5.281  -3.085   2.123
  124    HD2  PHE  12           HD2      PHE  12   2.948  -4.870  -0.956
  125    HE1  PHE  12           HE1      PHE  12   7.002  -4.820   1.830
  126    HE2  PHE  12           HE2      PHE  12   4.664  -6.608  -1.254
  127    HZ   PHE  12           HZ       PHE  12   6.694  -6.585   0.140
  128    H    SER  13           HN       SER  13   1.953  -0.837   3.088
  129    HA   SER  13           HA       SER  13   4.048  -1.258   4.959
  130   1HB   SER  13          HB2       SER  13   1.900   0.849   4.703
  131   2HB   SER  13          HB1       SER  13   3.063   0.857   6.029
  132    HG   SER  13           HG       SER  13   3.852   0.749   3.314
  133    H    LYS  14           HN       LYS  14   0.594  -1.749   4.984
  134    HA   LYS  14           HA       LYS  14   0.261  -2.001   7.784
  135   1HB   LYS  14          HB2       LYS  14  -1.602  -1.666   6.164
  136   2HB   LYS  14          HB1       LYS  14  -1.353  -3.307   5.585
  137   1HG   LYS  14          HG2       LYS  14  -1.663  -3.260   8.451
  138   2HG   LYS  14          HG1       LYS  14  -3.027  -2.482   7.647
  139   1HD   LYS  14          HD2       LYS  14  -2.221  -4.947   6.331
  140   2HD   LYS  14          HD1       LYS  14  -2.673  -5.201   8.018
  141   1HE   LYS  14          HE2       LYS  14  -4.360  -3.716   6.010
  142   2HE   LYS  14          HE1       LYS  14  -4.564  -5.421   6.408
  143   1HZ   LYS  14          HZ1       LYS  14  -4.730  -3.225   8.398
  144   2HZ   LYS  14          HZ2       LYS  14  -5.111  -4.855   8.644
  145   3HZ   LYS  14          HZ3       LYS  14  -6.075  -3.906   7.628
  146    H    ILE  15           HN       ILE  15   1.301  -4.188   5.257
  147    HA   ILE  15           HA       ILE  15   1.050  -6.600   6.713
  148    HB   ILE  15           HB       ILE  15   3.070  -6.002   4.547
  149   1HG1  ILE  15          HG12      ILE  15   0.225  -7.008   4.303
  150   2HG1  ILE  15          HG11      ILE  15   0.806  -5.426   3.794
  151   1HG2  ILE  15          HG21      ILE  15   3.111  -8.363   4.167
  152   2HG2  ILE  15          HG22      ILE  15   1.807  -8.624   5.326
  153   3HG2  ILE  15          HG23      ILE  15   3.389  -8.081   5.886
  154   1HD1  ILE  15          HD11      ILE  15   0.543  -6.950   1.913
  155   2HD1  ILE  15          HD12      ILE  15   1.692  -8.065   2.653
  156   3HD1  ILE  15          HD13      ILE  15   2.227  -6.469   2.125
  157    H    TRP  16           HN       TRP  16   3.595  -4.176   6.472
  158    HA   TRP  16           HA       TRP  16   5.512  -5.682   7.955
  159   1HB   TRP  16          HB2       TRP  16   5.619  -3.411   6.404
  160   2HB   TRP  16          HB1       TRP  16   5.821  -2.767   8.030
  161    HD1  TRP  16           HD1      TRP  16   7.515  -5.344   9.122
  162    HE1  TRP  16           HE1      TRP  16   9.981  -5.542   8.411
  163    HE3  TRP  16           HE3      TRP  16   7.414  -2.334   4.991
  164    HZ2  TRP  16           HZ2      TRP  16  11.660  -4.554   6.369
  165    HZ3  TRP  16           HZ3      TRP  16   9.492  -2.013   3.714
  166    HH2  TRP  16           HH2      TRP  16  11.571  -3.100   4.390
  167    H    ASN  17           HN       ASN  17   2.746  -3.949   8.794
  168    HA   ASN  17           HA       ASN  17   3.613  -3.257  11.468
  169   1HB   ASN  17          HB2       ASN  17   1.141  -2.852   9.849
  170   2HB   ASN  17          HB1       ASN  17   0.988  -2.827  11.603
  171   1HD2  ASN  17          HD21      ASN  17   1.589  -1.003   8.908
  172   2HD2  ASN  17          HD22      ASN  17   2.311   0.374   9.661
  173    H    ASP  18           HN       ASP  18   1.873  -5.794   9.833
  174    HA   ASP  18           HA       ASP  18   0.892  -6.977  12.284
  175   1HB   ASP  18          HB2       ASP  18   0.663  -7.587   9.373
  176   2HB   ASP  18          HB1       ASP  18   0.406  -8.901  10.516
  177    H    LYS  19           HN       LYS  19   3.631  -7.292  10.164
  178    HA   LYS  19           HA       LYS  19   4.471  -9.877  10.895
  179   1HB   LYS  19          HB2       LYS  19   5.734  -7.501   9.635
  180   2HB   LYS  19          HB1       LYS  19   6.813  -8.714  10.310
  181   1HG   LYS  19          HG2       LYS  19   4.613  -9.615   8.527
  182   2HG   LYS  19          HG1       LYS  19   6.017  -8.822   7.809
  183   1HD   LYS  19          HD2       LYS  19   6.228 -11.152   9.706
  184   2HD   LYS  19          HD1       LYS  19   6.135 -11.338   7.953
  185   1HE   LYS  19          HE2       LYS  19   8.251  -9.836   9.490
  186   2HE   LYS  19          HE1       LYS  19   8.448 -11.394   8.689
  187   1HZ   LYS  19          HZ1       LYS  19   9.334  -9.765   7.254
  188   2HZ   LYS  19          HZ2       LYS  19   7.988  -8.755   7.423
  189   3HZ   LYS  19          HZ3       LYS  19   7.849 -10.214   6.579
  190   1HN   NH2  20          NH1       NH2  20   6.269 -10.466  12.249
  191   2HN   NH2  20          NH2       NH2  20   6.582  -9.591  13.705
  Start of MODEL    9
    1   1H    ALA   1          HT1       ALA   1  -8.630   9.699 -10.060
    2   2H    ALA   1          HT2       ALA   1  -8.447   7.994 -10.120
    3   3H    ALA   1          HT3       ALA   1  -8.748   8.878 -11.560
    4    HA   ALA   1           HA       ALA   1  -6.678   9.801 -11.593
    5   1HB   ALA   1          HB1       ALA   1  -5.979   8.709  -8.897
    6   2HB   ALA   1          HB2       ALA   1  -6.833  10.244  -9.050
    7   3HB   ALA   1          HB3       ALA   1  -5.245  10.041  -9.789
    8    H    LYS   2           HN       LYS   2  -4.774   8.746 -12.269
    9    HA   LYS   2           HA       LYS   2  -5.094   5.849 -12.522
   10   1HB   LYS   2          HB2       LYS   2  -3.498   5.997 -14.350
   11   2HB   LYS   2          HB1       LYS   2  -4.793   7.163 -14.584
   12   1HG   LYS   2          HG2       LYS   2  -3.131   8.794 -13.390
   13   2HG   LYS   2          HG1       LYS   2  -1.927   7.618 -13.920
   14   1HD   LYS   2          HD2       LYS   2  -2.142   8.187 -16.093
   15   2HD   LYS   2          HD1       LYS   2  -3.886   8.424 -15.964
   16   1HE   LYS   2          HE2       LYS   2  -3.378  10.601 -16.178
   17   2HE   LYS   2          HE1       LYS   2  -2.965  10.491 -14.467
   18   1HZ   LYS   2          HZ1       LYS   2  -1.295  11.399 -16.316
   19   2HZ   LYS   2          HZ2       LYS   2  -0.863   9.764 -16.338
   20   3HZ   LYS   2          HZ3       LYS   2  -0.774  10.642 -14.895
   21    H    LYS   3           HN       LYS   3  -4.254   6.817 -10.012
   22    HA   LYS   3           HA       LYS   3  -1.662   5.473  -9.828
   23   1HB   LYS   3          HB2       LYS   3  -1.349   8.016  -9.993
   24   2HB   LYS   3          HB1       LYS   3  -2.102   8.099  -8.406
   25   1HG   LYS   3          HG2       LYS   3  -0.257   6.299  -7.829
   26   2HG   LYS   3          HG1       LYS   3   0.563   7.062  -9.193
   27   1HD   LYS   3          HD2       LYS   3   0.738   9.099  -8.119
   28   2HD   LYS   3          HD1       LYS   3  -0.626   8.768  -7.049
   29   1HE   LYS   3          HE2       LYS   3   0.645   7.601  -5.564
   30   2HE   LYS   3          HE1       LYS   3   1.747   7.010  -6.806
   31   1HZ   LYS   3          HZ1       LYS   3   2.667   8.685  -5.180
   32   2HZ   LYS   3          HZ2       LYS   3   1.709   9.844  -5.954
   33   3HZ   LYS   3          HZ3       LYS   3   2.912   9.029  -6.818
   34    H    VAL   4           HN       VAL   4  -4.195   4.545  -9.168
   35    HA   VAL   4           HA       VAL   4  -4.729   4.784  -6.379
   36    HB   VAL   4           HB       VAL   4  -6.427   3.876  -7.912
   37   1HG1  VAL   4          HG11      VAL   4  -4.471   2.558  -9.151
   38   2HG1  VAL   4          HG12      VAL   4  -6.159   2.056  -9.243
   39   3HG1  VAL   4          HG13      VAL   4  -5.061   1.256  -8.118
   40   1HG2  VAL   4          HG21      VAL   4  -7.336   2.613  -6.299
   41   2HG2  VAL   4          HG22      VAL   4  -5.872   2.985  -5.390
   42   3HG2  VAL   4          HG23      VAL   4  -5.987   1.476  -6.296
   43    H    PHE   5           HN       PHE   5  -2.315   3.423  -8.219
   44    HA   PHE   5           HA       PHE   5  -1.431   1.158  -7.040
   45   1HB   PHE   5          HB2       PHE   5  -0.477   2.380  -9.024
   46   2HB   PHE   5          HB1       PHE   5   0.305   3.474  -7.895
   47    HD1  PHE   5           HD1      PHE   5  -0.062  -0.240  -8.133
   48    HD2  PHE   5           HD2      PHE   5   2.556   3.090  -7.725
   49    HE1  PHE   5           HE1      PHE   5   1.857  -1.773  -7.981
   50    HE2  PHE   5           HE2      PHE   5   4.480   1.563  -7.573
   51    HZ   PHE   5           HZ       PHE   5   4.132  -0.871  -7.701
   52    H    LYS   6           HN       LYS   6  -1.418   4.322  -5.764
   53    HA   LYS   6           HA       LYS   6   0.515   3.980  -3.726
   54   1HB   LYS   6          HB2       LYS   6  -0.312   6.196  -4.505
   55   2HB   LYS   6          HB1       LYS   6  -1.862   5.853  -3.750
   56   1HG   LYS   6          HG2       LYS   6  -0.911   7.084  -2.100
   57   2HG   LYS   6          HG1       LYS   6  -0.337   5.486  -1.622
   58   1HD   LYS   6          HD2       LYS   6   1.254   7.290  -3.426
   59   2HD   LYS   6          HD1       LYS   6   1.380   7.369  -1.667
   60   1HE   LYS   6          HE2       LYS   6   1.652   4.707  -2.078
   61   2HE   LYS   6          HE1       LYS   6   2.378   5.341  -3.554
   62   1HZ   LYS   6          HZ1       LYS   6   3.158   6.463  -0.948
   63   2HZ   LYS   6          HZ2       LYS   6   4.040   6.394  -2.389
   64   3HZ   LYS   6          HZ3       LYS   6   3.829   4.996  -1.460
   65    H    ARG   7           HN       ARG   7  -2.958   3.421  -3.913
   66    HA   ARG   7           HA       ARG   7  -3.416   2.907  -1.187
   67   1HB   ARG   7          HB2       ARG   7  -4.811   2.194  -3.729
   68   2HB   ARG   7          HB1       ARG   7  -5.277   1.353  -2.257
   69   1HG   ARG   7          HG2       ARG   7  -5.173   4.345  -2.392
   70   2HG   ARG   7          HG1       ARG   7  -6.595   3.435  -2.906
   71   1HD   ARG   7          HD2       ARG   7  -5.363   2.949  -0.221
   72   2HD   ARG   7          HD1       ARG   7  -6.457   4.309  -0.469
   73    HE   ARG   7           HE       ARG   7  -7.151   1.522  -0.339
   74   1HH1  ARG   7          HH11      ARG   7  -8.119   4.661  -1.518
   75   2HH1  ARG   7          HH12      ARG   7  -9.799   4.251  -1.601
   76   1HH2  ARG   7          HH21      ARG   7  -9.361   0.980  -0.449
   77   2HH2  ARG   7          HH22      ARG   7 -10.505   2.161  -0.994
   78    H    LEU   8           HN       LEU   8  -2.298   0.865  -3.835
   79    HA   LEU   8           HA       LEU   8  -2.428  -1.600  -2.473
   80   1HB   LEU   8          HB2       LEU   8  -1.515  -0.649  -4.992
   81   2HB   LEU   8          HB1       LEU   8  -0.208  -1.575  -4.279
   82    HG   LEU   8           HG       LEU   8  -1.681  -3.511  -4.041
   83   1HD1  LEU   8          HD11      LEU   8  -3.825  -2.736  -3.700
   84   2HD1  LEU   8          HD12      LEU   8  -3.903  -3.298  -5.370
   85   3HD1  LEU   8          HD13      LEU   8  -3.732  -1.577  -5.025
   86   1HD2  LEU   8          HD21      LEU   8  -1.773  -4.125  -6.327
   87   2HD2  LEU   8          HD22      LEU   8  -0.391  -3.044  -6.155
   88   3HD2  LEU   8          HD23      LEU   8  -1.899  -2.444  -6.846
   89    H    GLU   9           HN       GLU   9   0.146   0.818  -2.774
   90    HA   GLU   9           HA       GLU   9   2.086  -0.629  -1.310
   91   1HB   GLU   9          HB2       GLU   9   2.170   1.635  -2.772
   92   2HB   GLU   9          HB1       GLU   9   2.114   2.334  -1.160
   93   1HG   GLU   9          HG2       GLU   9   4.018   0.407  -0.866
   94   2HG   GLU   9          HG1       GLU   9   4.277   0.929  -2.531
   95    H    LYS  10           HN       LYS  10  -0.624   1.346  -0.413
   96    HA   LYS  10           HA       LYS  10   0.136   1.833   2.279
   97   1HB   LYS  10          HB2       LYS  10  -2.238   2.232   0.605
   98   2HB   LYS  10          HB1       LYS  10  -2.619   1.875   2.284
   99   1HG   LYS  10          HG2       LYS  10  -1.071   3.718   2.946
  100   2HG   LYS  10          HG1       LYS  10  -0.928   4.131   1.236
  101   1HD   LYS  10          HD2       LYS  10  -2.594   5.562   2.085
  102   2HD   LYS  10          HD1       LYS  10  -3.466   4.294   1.222
  103   1HE   LYS  10          HE2       LYS  10  -2.926   3.961   4.135
  104   2HE   LYS  10          HE1       LYS  10  -4.212   5.053   3.624
  105   1HZ   LYS  10          HZ1       LYS  10  -5.451   3.208   3.619
  106   2HZ   LYS  10          HZ2       LYS  10  -4.116   2.170   3.572
  107   3HZ   LYS  10          HZ3       LYS  10  -4.701   2.860   2.142
  108    H    LEU  11           HN       LEU  11  -1.745  -0.693   0.661
  109    HA   LEU  11           HA       LEU  11  -2.505  -2.018   3.052
  110   1HB   LEU  11          HB2       LEU  11  -2.549  -2.667   0.153
  111   2HB   LEU  11          HB1       LEU  11  -2.672  -4.004   1.281
  112    HG   LEU  11           HG       LEU  11  -4.548  -2.336   2.304
  113   1HD1  LEU  11          HD11      LEU  11  -4.149  -1.604  -0.532
  114   2HD1  LEU  11          HD12      LEU  11  -4.762  -0.646   0.815
  115   3HD1  LEU  11          HD13      LEU  11  -5.813  -1.813   0.013
  116   1HD2  LEU  11          HD21      LEU  11  -5.233  -4.496   2.022
  117   2HD2  LEU  11          HD22      LEU  11  -4.614  -4.596   0.374
  118   3HD2  LEU  11          HD23      LEU  11  -6.115  -3.730   0.701
  119    H    PHE  12           HN       PHE  12   0.356  -1.951   1.198
  120    HA   PHE  12           HA       PHE  12   1.430  -4.433   2.165
  121   1HB   PHE  12          HB2       PHE  12   2.070  -2.923   0.042
  122   2HB   PHE  12          HB1       PHE  12   3.244  -2.283   1.187
  123    HD1  PHE  12           HD1      PHE  12   5.252  -3.384   1.525
  124    HD2  PHE  12           HD2      PHE  12   1.998  -5.480  -0.243
  125    HE1  PHE  12           HE1      PHE  12   6.733  -5.297   1.078
  126    HE2  PHE  12           HE2      PHE  12   3.473  -7.397  -0.693
  127    HZ   PHE  12           HZ       PHE  12   5.844  -7.307  -0.033
  128    H    SER  13           HN       SER  13   1.426  -1.088   3.137
  129    HA   SER  13           HA       SER  13   3.529  -1.211   5.020
  130   1HB   SER  13          HB2       SER  13   1.113   0.591   5.224
  131   2HB   SER  13          HB1       SER  13   2.748   0.897   5.809
  132    HG   SER  13           HG       SER  13   1.797   0.878   3.150
  133    H    LYS  14           HN       LYS  14   0.140  -2.074   5.105
  134    HA   LYS  14           HA       LYS  14  -0.156  -2.267   7.904
  135   1HB   LYS  14          HB2       LYS  14  -1.717  -2.854   5.575
  136   2HB   LYS  14          HB1       LYS  14  -1.786  -4.234   6.661
  137   1HG   LYS  14          HG2       LYS  14  -3.406  -3.151   7.723
  138   2HG   LYS  14          HG1       LYS  14  -2.148  -2.080   8.344
  139   1HD   LYS  14          HD2       LYS  14  -2.606  -1.003   5.888
  140   2HD   LYS  14          HD1       LYS  14  -4.214  -1.596   6.312
  141   1HE   LYS  14          HE2       LYS  14  -4.122  -0.364   8.415
  142   2HE   LYS  14          HE1       LYS  14  -2.500   0.204   8.022
  143   1HZ   LYS  14          HZ1       LYS  14  -4.141   1.887   7.521
  144   2HZ   LYS  14          HZ2       LYS  14  -4.978   0.824   6.506
  145   3HZ   LYS  14          HZ3       LYS  14  -3.424   1.343   6.088
  146    H    ILE  15           HN       ILE  15   0.866  -4.603   5.444
  147    HA   ILE  15           HA       ILE  15   1.066  -6.819   7.193
  148    HB   ILE  15           HB       ILE  15   2.688  -6.353   4.686
  149   1HG1  ILE  15          HG12      ILE  15  -0.057  -7.590   5.002
  150   2HG1  ILE  15          HG11      ILE  15   0.298  -6.052   4.222
  151   1HG2  ILE  15          HG21      ILE  15   1.774  -9.046   5.461
  152   2HG2  ILE  15          HG22      ILE  15   3.003  -8.319   6.496
  153   3HG2  ILE  15          HG23      ILE  15   3.309  -8.520   4.771
  154   1HD1  ILE  15          HD11      ILE  15   1.915  -7.890   2.915
  155   2HD1  ILE  15          HD12      ILE  15   0.421  -7.169   2.317
  156   3HD1  ILE  15          HD13      ILE  15   0.378  -8.722   3.151
  157    H    TRP  16           HN       TRP  16   3.209  -4.179   6.390
  158    HA   TRP  16           HA       TRP  16   5.512  -5.309   7.650
  159   1HB   TRP  16          HB2       TRP  16   5.351  -3.419   5.837
  160   2HB   TRP  16          HB1       TRP  16   5.173  -2.362   7.234
  161    HD1  TRP  16           HD1      TRP  16   7.500  -5.333   7.609
  162    HE1  TRP  16           HE1      TRP  16   9.932  -4.493   7.691
  163    HE3  TRP  16           HE3      TRP  16   6.716  -0.445   6.330
  164    HZ2  TRP  16           HZ2      TRP  16  11.332  -2.078   7.270
  165    HZ3  TRP  16           HZ3      TRP  16   8.655   1.064   6.192
  166    HH2  TRP  16           HH2      TRP  16  10.915   0.263   6.653
  167    H    ASN  17           HN       ASN  17   2.709  -3.745   8.730
  168    HA   ASN  17           HA       ASN  17   3.837  -2.710  11.176
  169   1HB   ASN  17          HB2       ASN  17   1.160  -2.741   9.889
  170   2HB   ASN  17          HB1       ASN  17   1.188  -2.645  11.647
  171   1HD2  ASN  17          HD21      ASN  17   0.984  -0.644  12.308
  172   2HD2  ASN  17          HD22      ASN  17   1.692   0.753  11.580
  173    H    ASP  18           HN       ASP  18   2.225  -5.601  10.071
  174    HA   ASP  18           HA       ASP  18   1.751  -6.616  12.732
  175   1HB   ASP  18          HB2       ASP  18   1.534  -7.933  10.016
  176   2HB   ASP  18          HB1       ASP  18   1.055  -8.688  11.534
  177    H    LYS  19           HN       LYS  19   4.233  -6.835  10.299
  178    HA   LYS  19           HA       LYS  19   5.542  -9.095  11.537
  179   1HB   LYS  19          HB2       LYS  19   5.573  -8.005   9.003
  180   2HB   LYS  19          HB1       LYS  19   7.134  -7.520   9.652
  181   1HG   LYS  19          HG2       LYS  19   6.560 -10.296  10.225
  182   2HG   LYS  19          HG1       LYS  19   6.492  -9.954   8.495
  183   1HD   LYS  19          HD2       LYS  19   8.765  -8.688   9.799
  184   2HD   LYS  19          HD1       LYS  19   8.772 -10.444   9.977
  185   1HE   LYS  19          HE2       LYS  19   9.976  -9.887   7.984
  186   2HE   LYS  19          HE1       LYS  19   8.447 -10.630   7.517
  187   1HZ   LYS  19          HZ1       LYS  19   7.759  -8.063   7.541
  188   2HZ   LYS  19          HZ2       LYS  19   8.347  -8.852   6.165
  189   3HZ   LYS  19          HZ3       LYS  19   9.389  -7.914   7.110
  190   1HN   NH2  20          NH1       NH2  20   8.103  -8.652  11.682
  191   2HN   NH2  20          NH2       NH2  20   8.507  -7.378  12.776
  Start of MODEL   10
    1   1H    ALA   1          HT1       ALA   1  -9.518   6.152 -10.663
    2   2H    ALA   1          HT2       ALA   1  -9.443   7.347 -11.893
    3   3H    ALA   1          HT3       ALA   1  -9.778   7.801 -10.272
    4    HA   ALA   1           HA       ALA   1  -7.478   8.183 -11.168
    5   1HB   ALA   1          HB1       ALA   1  -6.497   7.582  -8.974
    6   2HB   ALA   1          HB2       ALA   1  -7.977   6.703  -8.590
    7   3HB   ALA   1          HB3       ALA   1  -8.028   8.448  -8.840
    8    H    LYS   2           HN       LYS   2  -6.062   7.233 -12.464
    9    HA   LYS   2           HA       LYS   2  -5.897   4.328 -12.565
   10   1HB   LYS   2          HB2       LYS   2  -5.751   6.298 -14.496
   11   2HB   LYS   2          HB1       LYS   2  -4.073   5.811 -14.301
   12   1HG   LYS   2          HG2       LYS   2  -6.182   3.728 -14.631
   13   2HG   LYS   2          HG1       LYS   2  -5.591   4.615 -16.038
   14   1HD   LYS   2          HD2       LYS   2  -3.842   3.117 -14.089
   15   2HD   LYS   2          HD1       LYS   2  -4.388   2.483 -15.643
   16   1HE   LYS   2          HE2       LYS   2  -2.544   4.796 -15.111
   17   2HE   LYS   2          HE1       LYS   2  -2.212   3.319 -16.014
   18   1HZ   LYS   2          HZ1       LYS   2  -3.634   5.728 -16.849
   19   2HZ   LYS   2          HZ2       LYS   2  -4.196   4.254 -17.458
   20   3HZ   LYS   2          HZ3       LYS   2  -2.595   4.725 -17.730
   21    H    LYS   3           HN       LYS   3  -4.626   6.373 -10.504
   22    HA   LYS   3           HA       LYS   3  -2.061   4.932 -10.379
   23   1HB   LYS   3          HB2       LYS   3  -1.037   7.056  -9.492
   24   2HB   LYS   3          HB1       LYS   3  -1.469   7.102 -11.195
   25   1HG   LYS   3          HG2       LYS   3  -2.294   9.114 -10.566
   26   2HG   LYS   3          HG1       LYS   3  -3.710   8.120 -10.218
   27   1HD   LYS   3          HD2       LYS   3  -3.185   8.045  -7.896
   28   2HD   LYS   3          HD1       LYS   3  -1.595   8.759  -8.170
   29   1HE   LYS   3          HE2       LYS   3  -3.004  10.469  -7.297
   30   2HE   LYS   3          HE1       LYS   3  -2.760  10.810  -9.009
   31   1HZ   LYS   3          HZ1       LYS   3  -4.965   9.382  -9.165
   32   2HZ   LYS   3          HZ2       LYS   3  -4.993  11.054  -8.911
   33   3HZ   LYS   3          HZ3       LYS   3  -5.182   9.998  -7.603
   34    H    VAL   4           HN       VAL   4  -4.442   4.286  -9.075
   35    HA   VAL   4           HA       VAL   4  -4.420   5.201  -6.369
   36    HB   VAL   4           HB       VAL   4  -6.417   4.110  -7.297
   37   1HG1  VAL   4          HG11      VAL   4  -6.037   1.431  -7.290
   38   2HG1  VAL   4          HG12      VAL   4  -4.479   1.984  -7.903
   39   3HG1  VAL   4          HG13      VAL   4  -5.966   2.440  -8.734
   40   1HG2  VAL   4          HG21      VAL   4  -5.708   3.953  -4.817
   41   2HG2  VAL   4          HG22      VAL   4  -5.405   2.253  -5.175
   42   3HG2  VAL   4          HG23      VAL   4  -7.021   2.924  -5.391
   43    H    PHE   5           HN       PHE   5  -2.422   3.342  -8.250
   44    HA   PHE   5           HA       PHE   5  -1.402   1.287  -6.864
   45   1HB   PHE   5          HB2       PHE   5  -0.712   2.072  -9.119
   46   2HB   PHE   5          HB1       PHE   5   0.185   3.376  -8.356
   47    HD1  PHE   5           HD1      PHE   5  -0.097  -0.313  -7.808
   48    HD2  PHE   5           HD2      PHE   5   2.449   3.044  -8.409
   49    HE1  PHE   5           HE1      PHE   5   1.872  -1.778  -7.624
   50    HE2  PHE   5           HE2      PHE   5   4.422   1.586  -8.227
   51    HZ   PHE   5           HZ       PHE   5   4.135  -0.829  -7.834
   52    H    LYS   6           HN       LYS   6  -1.066   4.607  -6.117
   53    HA   LYS   6           HA       LYS   6   1.126   4.410  -4.328
   54   1HB   LYS   6          HB2       LYS   6   0.252   6.537  -5.390
   55   2HB   LYS   6          HB1       LYS   6  -1.077   6.477  -4.241
   56   1HG   LYS   6          HG2       LYS   6   0.195   7.189  -2.530
   57   2HG   LYS   6          HG1       LYS   6   1.609   6.278  -3.064
   58   1HD   LYS   6          HD2       LYS   6   1.946   7.961  -4.861
   59   2HD   LYS   6          HD1       LYS   6   0.612   8.897  -4.182
   60   1HE   LYS   6          HE2       LYS   6   3.245   8.235  -2.876
   61   2HE   LYS   6          HE1       LYS   6   2.661   9.824  -3.369
   62   1HZ   LYS   6          HZ1       LYS   6   0.718   9.080  -1.719
   63   2HZ   LYS   6          HZ2       LYS   6   2.083   9.940  -1.211
   64   3HZ   LYS   6          HZ3       LYS   6   2.017   8.262  -1.007
   65    H    ARG   7           HN       ARG   7  -2.387   4.349  -3.900
   66    HA   ARG   7           HA       ARG   7  -2.403   4.178  -1.096
   67   1HB   ARG   7          HB2       ARG   7  -4.313   3.719  -3.278
   68   2HB   ARG   7          HB1       ARG   7  -4.607   2.724  -1.858
   69   1HG   ARG   7          HG2       ARG   7  -4.989   4.566  -0.492
   70   2HG   ARG   7          HG1       ARG   7  -4.191   5.677  -1.607
   71   1HD   ARG   7          HD2       ARG   7  -5.997   5.646  -3.103
   72   2HD   ARG   7          HD1       ARG   7  -6.687   4.197  -2.374
   73    HE   ARG   7           HE       ARG   7  -7.049   6.916  -1.512
   74   1HH1  ARG   7          HH11      ARG   7  -7.125   3.568  -0.529
   75   2HH1  ARG   7          HH12      ARG   7  -8.208   3.850   0.792
   76   1HH2  ARG   7          HH21      ARG   7  -8.474   7.289   0.226
   77   2HH2  ARG   7          HH22      ARG   7  -8.974   5.962   1.221
   78    H    LEU   8           HN       LEU   8  -1.855   1.817  -3.608
   79    HA   LEU   8           HA       LEU   8  -2.207  -0.521  -2.077
   80   1HB   LEU   8          HB2       LEU   8  -1.484   0.103  -4.705
   81   2HB   LEU   8          HB1       LEU   8  -0.105  -0.767  -4.060
   82    HG   LEU   8           HG       LEU   8  -2.277  -2.299  -3.258
   83   1HD1  LEU   8          HD11      LEU   8  -3.717  -0.975  -4.756
   84   2HD1  LEU   8          HD12      LEU   8  -3.602  -2.666  -5.243
   85   3HD1  LEU   8          HD13      LEU   8  -2.691  -1.433  -6.115
   86   1HD2  LEU   8          HD21      LEU   8  -1.289  -3.960  -4.519
   87   2HD2  LEU   8          HD22      LEU   8   0.050  -2.834  -4.293
   88   3HD2  LEU   8          HD23      LEU   8  -0.838  -2.854  -5.816
   89    H    GLU   9           HN       GLU   9   0.530   1.651  -2.538
   90    HA   GLU   9           HA       GLU   9   2.458   0.033  -1.241
   91   1HB   GLU   9          HB2       GLU   9   2.592   2.333  -2.657
   92   2HB   GLU   9          HB1       GLU   9   2.729   2.976  -1.026
   93   1HG   GLU   9          HG2       GLU   9   4.440   0.661  -1.619
   94   2HG   GLU   9          HG1       GLU   9   4.813   2.136  -2.509
   95    H    LYS  10           HN       LYS  10   0.066   2.321  -0.110
   96    HA   LYS  10           HA       LYS  10   1.050   2.568   2.540
   97   1HB   LYS  10          HB2       LYS  10  -0.623   4.097   1.402
   98   2HB   LYS  10          HB1       LYS  10  -1.828   2.843   1.661
   99   1HG   LYS  10          HG2       LYS  10  -2.243   3.982   3.545
  100   2HG   LYS  10          HG1       LYS  10  -0.845   3.097   4.161
  101   1HD   LYS  10          HD2       LYS  10  -0.063   5.144   4.671
  102   2HD   LYS  10          HD1       LYS  10   0.360   5.215   2.959
  103   1HE   LYS  10          HE2       LYS  10  -1.433   6.572   2.436
  104   2HE   LYS  10          HE1       LYS  10  -2.367   6.053   3.838
  105   1HZ   LYS  10          HZ1       LYS  10   0.118   7.458   4.396
  106   2HZ   LYS  10          HZ2       LYS  10  -1.384   7.567   5.166
  107   3HZ   LYS  10          HZ3       LYS  10  -1.120   8.385   3.710
  108    H    LEU  11           HN       LEU  11  -1.189   0.363   0.946
  109    HA   LEU  11           HA       LEU  11  -2.030  -0.963   3.303
  110   1HB   LEU  11          HB2       LEU  11  -2.218  -1.460   0.389
  111   2HB   LEU  11          HB1       LEU  11  -2.384  -2.860   1.432
  112    HG   LEU  11           HG       LEU  11  -4.188  -1.532   2.665
  113   1HD1  LEU  11          HD11      LEU  11  -3.864   0.155   0.195
  114   2HD1  LEU  11          HD12      LEU  11  -3.774   0.669   1.880
  115   3HD1  LEU  11          HD13      LEU  11  -5.317   0.159   1.195
  116   1HD2  LEU  11          HD21      LEU  11  -4.366  -3.369   0.771
  117   2HD2  LEU  11          HD22      LEU  11  -5.062  -2.023  -0.130
  118   3HD2  LEU  11          HD23      LEU  11  -5.791  -2.536   1.392
  119    H    PHE  12           HN       PHE  12   0.819  -1.062   1.450
  120    HA   PHE  12           HA       PHE  12   1.667  -3.693   2.182
  121   1HB   PHE  12          HB2       PHE  12   2.487  -2.193   0.214
  122   2HB   PHE  12          HB1       PHE  12   3.557  -1.484   1.420
  123    HD1  PHE  12           HD1      PHE  12   4.892  -3.272   2.854
  124    HD2  PHE  12           HD2      PHE  12   3.272  -3.955  -1.022
  125    HE1  PHE  12           HE1      PHE  12   6.494  -5.108   2.512
  126    HE2  PHE  12           HE2      PHE  12   4.871  -5.793  -1.370
  127    HZ   PHE  12           HZ       PHE  12   6.484  -6.371   0.398
  128    H    SER  13           HN       SER  13   1.936  -0.485   3.543
  129    HA   SER  13           HA       SER  13   3.966  -1.045   5.434
  130   1HB   SER  13          HB2       SER  13   3.298   1.256   4.814
  131   2HB   SER  13          HB1       SER  13   1.738   1.003   5.596
  132    HG   SER  13           HG       SER  13   2.865   0.704   7.564
  133    H    LYS  14           HN       LYS  14   0.481  -1.454   5.425
  134    HA   LYS  14           HA       LYS  14   0.164  -1.992   8.181
  135   1HB   LYS  14          HB2       LYS  14  -1.490  -1.907   5.884
  136   2HB   LYS  14          HB1       LYS  14  -1.715  -3.494   6.605
  137   1HG   LYS  14          HG2       LYS  14  -1.750  -1.300   8.536
  138   2HG   LYS  14          HG1       LYS  14  -3.036  -1.224   7.331
  139   1HD   LYS  14          HD2       LYS  14  -3.568  -3.610   7.874
  140   2HD   LYS  14          HD1       LYS  14  -2.409  -3.506   9.200
  141   1HE   LYS  14          HE2       LYS  14  -3.759  -1.491   9.993
  142   2HE   LYS  14          HE1       LYS  14  -4.997  -2.018   8.854
  143   1HZ   LYS  14          HZ1       LYS  14  -4.884  -2.836  11.377
  144   2HZ   LYS  14          HZ2       LYS  14  -3.969  -4.058  10.649
  145   3HZ   LYS  14          HZ3       LYS  14  -5.553  -3.768  10.133
  146    H    ILE  15           HN       ILE  15   1.095  -3.957   5.438
  147    HA   ILE  15           HA       ILE  15   0.827  -6.486   6.670
  148    HB   ILE  15           HB       ILE  15   2.811  -5.726   4.521
  149   1HG1  ILE  15          HG12      ILE  15  -0.050  -6.677   4.241
  150   2HG1  ILE  15          HG11      ILE  15   0.526  -5.049   3.898
  151   1HG2  ILE  15          HG21      ILE  15   2.040  -8.257   3.982
  152   2HG2  ILE  15          HG22      ILE  15   1.942  -8.257   5.742
  153   3HG2  ILE  15          HG23      ILE  15   3.458  -7.841   4.944
  154   1HD1  ILE  15          HD11      ILE  15   1.619  -7.449   2.477
  155   2HD1  ILE  15          HD12      ILE  15   1.713  -5.751   2.009
  156   3HD1  ILE  15          HD13      ILE  15   0.172  -6.605   1.928
  157    H    TRP  16           HN       TRP  16   3.306  -4.024   6.742
  158    HA   TRP  16           HA       TRP  16   5.323  -5.664   7.908
  159   1HB   TRP  16          HB2       TRP  16   4.986  -2.801   7.273
  160   2HB   TRP  16          HB1       TRP  16   6.055  -3.150   8.628
  161    HD1  TRP  16           HD1      TRP  16   7.243  -5.902   7.305
  162    HE1  TRP  16           HE1      TRP  16   8.980  -5.665   5.421
  163    HE3  TRP  16           HE3      TRP  16   6.211  -1.111   5.848
  164    HZ2  TRP  16           HZ2      TRP  16   9.804  -3.706   3.563
  165    HZ3  TRP  16           HZ3      TRP  16   7.520  -0.130   4.010
  166    HH2  TRP  16           HH2      TRP  16   9.279  -1.401   2.892
  167    H    ASN  17           HN       ASN  17   2.532  -4.147   9.090
  168    HA   ASN  17           HA       ASN  17   3.425  -3.899  11.821
  169   1HB   ASN  17          HB2       ASN  17   1.442  -2.686  10.415
  170   2HB   ASN  17          HB1       ASN  17   0.521  -3.924  11.264
  171   1HD2  ASN  17          HD21      ASN  17   2.027  -4.049  13.612
  172   2HD2  ASN  17          HD22      ASN  17   1.812  -2.569  14.479
  173    H    ASP  18           HN       ASP  18   1.752  -6.240   9.847
  174    HA   ASP  18           HA       ASP  18   0.951  -7.853  12.115
  175   1HB   ASP  18          HB2       ASP  18  -0.089  -7.568   9.625
  176   2HB   ASP  18          HB1       ASP  18   0.866  -9.031   9.405
  177    H    LYS  19           HN       LYS  19   3.537  -7.720   9.781
  178    HA   LYS  19           HA       LYS  19   4.524 -10.358  10.276
  179   1HB   LYS  19          HB2       LYS  19   4.941  -9.029   8.184
  180   2HB   LYS  19          HB1       LYS  19   6.028  -8.009   9.117
  181   1HG   LYS  19          HG2       LYS  19   7.528  -9.460   8.215
  182   2HG   LYS  19          HG1       LYS  19   7.145 -10.318   9.709
  183   1HD   LYS  19          HD2       LYS  19   6.927 -12.012   8.170
  184   2HD   LYS  19          HD1       LYS  19   5.270 -11.409   8.235
  185   1HE   LYS  19          HE2       LYS  19   6.998 -10.056   6.285
  186   2HE   LYS  19          HE1       LYS  19   6.708 -11.763   5.953
  187   1HZ   LYS  19          HZ1       LYS  19   4.368 -10.208   6.679
  188   2HZ   LYS  19          HZ2       LYS  19   4.553 -11.396   5.489
  189   3HZ   LYS  19          HZ3       LYS  19   5.069  -9.813   5.190
  190   1HN   NH2  20          NH1       NH2  20   5.831  -7.152  11.088
  191   2HN   NH2  20          NH2       NH2  20   6.671  -7.659  12.510
  Start of MODEL   11
    1   1H    ALA   1          HT1       ALA   1  -6.182   3.931 -15.671
    2   2H    ALA   1          HT2       ALA   1  -4.742   4.507 -14.936
    3   3H    ALA   1          HT3       ALA   1  -5.985   5.607 -15.373
    4    HA   ALA   1           HA       ALA   1  -7.424   4.215 -13.834
    5   1HB   ALA   1          HB1       ALA   1  -6.403   2.911 -12.245
    6   2HB   ALA   1          HB2       ALA   1  -4.854   3.739 -12.403
    7   3HB   ALA   1          HB3       ALA   1  -5.373   2.596 -13.641
    8    H    LYS   2           HN       LYS   2  -7.043   4.854 -11.282
    9    HA   LYS   2           HA       LYS   2  -6.641   7.755 -11.387
   10   1HB   LYS   2          HB2       LYS   2  -7.950   7.834  -9.319
   11   2HB   LYS   2          HB1       LYS   2  -8.824   6.990 -10.590
   12   1HG   LYS   2          HG2       LYS   2  -7.336   5.061  -9.147
   13   2HG   LYS   2          HG1       LYS   2  -8.166   6.091  -7.979
   14   1HD   LYS   2          HD2       LYS   2  -9.549   4.851 -10.349
   15   2HD   LYS   2          HD1       LYS   2  -9.446   4.061  -8.775
   16   1HE   LYS   2          HE2       LYS   2 -10.571   5.977  -7.745
   17   2HE   LYS   2          HE1       LYS   2 -10.677   6.761  -9.321
   18   1HZ   LYS   2          HZ1       LYS   2 -12.690   5.783  -9.321
   19   2HZ   LYS   2          HZ2       LYS   2 -12.242   4.568  -8.232
   20   3HZ   LYS   2          HZ3       LYS   2 -11.826   4.433  -9.866
   21    H    LYS   3           HN       LYS   3  -4.414   5.900 -11.253
   22    HA   LYS   3           HA       LYS   3  -2.565   5.334  -9.992
   23   1HB   LYS   3          HB2       LYS   3  -1.333   7.286  -9.286
   24   2HB   LYS   3          HB1       LYS   3  -2.171   7.657 -10.786
   25   1HG   LYS   3          HG2       LYS   3  -3.967   8.729  -9.372
   26   2HG   LYS   3          HG1       LYS   3  -2.860   8.567  -8.007
   27   1HD   LYS   3          HD2       LYS   3  -2.000   9.892 -10.556
   28   2HD   LYS   3          HD1       LYS   3  -2.887  10.786  -9.320
   29   1HE   LYS   3          HE2       LYS   3  -0.950  11.148  -8.293
   30   2HE   LYS   3          HE1       LYS   3  -0.872   9.421  -7.946
   31   1HZ   LYS   3          HZ1       LYS   3   0.034  10.368 -10.570
   32   2HZ   LYS   3          HZ2       LYS   3   0.570   9.048  -9.658
   33   3HZ   LYS   3          HZ3       LYS   3   1.041  10.616  -9.232
   34    H    VAL   4           HN       VAL   4  -4.901   4.671  -8.626
   35    HA   VAL   4           HA       VAL   4  -4.760   5.477  -5.887
   36    HB   VAL   4           HB       VAL   4  -6.810   4.456  -6.775
   37   1HG1  VAL   4          HG11      VAL   4  -6.481   1.775  -6.897
   38   2HG1  VAL   4          HG12      VAL   4  -4.935   2.324  -7.545
   39   3HG1  VAL   4          HG13      VAL   4  -6.442   2.842  -8.300
   40   1HG2  VAL   4          HG21      VAL   4  -5.631   2.593  -4.725
   41   2HG2  VAL   4          HG22      VAL   4  -7.322   3.048  -4.935
   42   3HG2  VAL   4          HG23      VAL   4  -6.155   4.235  -4.351
   43    H    PHE   5           HN       PHE   5  -2.865   3.670  -7.919
   44    HA   PHE   5           HA       PHE   5  -1.830   1.547  -6.629
   45   1HB   PHE   5          HB2       PHE   5  -1.249   2.383  -8.907
   46   2HB   PHE   5          HB1       PHE   5  -0.264   3.627  -8.155
   47    HD1  PHE   5           HD1      PHE   5  -0.668  -0.085  -8.084
   48    HD2  PHE   5           HD2      PHE   5   1.990   3.236  -7.957
   49    HE1  PHE   5           HE1      PHE   5   1.249  -1.627  -8.048
   50    HE2  PHE   5           HE2      PHE   5   3.913   1.701  -7.922
   51    HZ   PHE   5           HZ       PHE   5   3.544  -0.734  -7.967
   52    H    LYS   6           HN       LYS   6  -1.433   4.836  -5.809
   53    HA   LYS   6           HA       LYS   6   0.864   4.574  -4.159
   54   1HB   LYS   6          HB2       LYS   6  -0.481   6.702  -5.148
   55   2HB   LYS   6          HB1       LYS   6  -1.115   6.684  -3.508
   56   1HG   LYS   6          HG2       LYS   6   1.795   6.406  -3.682
   57   2HG   LYS   6          HG1       LYS   6   1.163   7.938  -4.286
   58   1HD   LYS   6          HD2       LYS   6   0.138   8.441  -2.212
   59   2HD   LYS   6          HD1       LYS   6   0.374   6.796  -1.616
   60   1HE   LYS   6          HE2       LYS   6   2.499   7.194  -0.991
   61   2HE   LYS   6          HE1       LYS   6   2.836   8.183  -2.411
   62   1HZ   LYS   6          HZ1       LYS   6   2.955   9.622  -0.581
   63   2HZ   LYS   6          HZ2       LYS   6   1.543   9.009   0.120
   64   3HZ   LYS   6          HZ3       LYS   6   1.451   9.947  -1.285
   65    H    ARG   7           HN       ARG   7  -2.617   4.472  -3.573
   66    HA   ARG   7           HA       ARG   7  -2.523   4.279  -0.772
   67   1HB   ARG   7          HB2       ARG   7  -4.506   3.630  -2.887
   68   2HB   ARG   7          HB1       ARG   7  -4.735   2.855  -1.325
   69   1HG   ARG   7          HG2       ARG   7  -4.206   5.570  -0.805
   70   2HG   ARG   7          HG1       ARG   7  -5.371   5.520  -2.129
   71   1HD   ARG   7          HD2       ARG   7  -5.645   4.086   0.511
   72   2HD   ARG   7          HD1       ARG   7  -6.472   5.578   0.064
   73    HE   ARG   7           HE       ARG   7  -6.972   3.494  -1.811
   74   1HH1  ARG   7          HH11      ARG   7  -7.883   4.687   1.339
   75   2HH1  ARG   7          HH12      ARG   7  -9.461   3.975   1.291
   76   1HH2  ARG   7          HH21      ARG   7  -9.047   2.556  -1.876
   77   2HH2  ARG   7          HH22      ARG   7 -10.121   2.765  -0.534
   78    H    LEU   8           HN       LEU   8  -2.106   1.929  -3.332
   79    HA   LEU   8           HA       LEU   8  -2.317  -0.426  -1.818
   80   1HB   LEU   8          HB2       LEU   8  -1.060   0.343  -4.398
   81   2HB   LEU   8          HB1       LEU   8  -0.535  -1.163  -3.672
   82    HG   LEU   8           HG       LEU   8  -2.364  -1.383  -5.364
   83   1HD1  LEU   8          HD11      LEU   8  -2.094  -3.215  -3.937
   84   2HD1  LEU   8          HD12      LEU   8  -3.812  -2.829  -3.834
   85   3HD1  LEU   8          HD13      LEU   8  -2.718  -2.335  -2.542
   86   1HD2  LEU   8          HD21      LEU   8  -3.904   0.110  -3.253
   87   2HD2  LEU   8          HD22      LEU   8  -4.668  -0.847  -4.522
   88   3HD2  LEU   8          HD23      LEU   8  -3.679   0.551  -4.945
   89    H    GLU   9           HN       GLU   9   0.437   1.683  -2.531
   90    HA   GLU   9           HA       GLU   9   2.418   0.132  -1.288
   91   1HB   GLU   9          HB2       GLU   9   2.354   2.531  -2.652
   92   2HB   GLU   9          HB1       GLU   9   2.807   3.022  -1.026
   93   1HG   GLU   9          HG2       GLU   9   4.702   1.541  -1.055
   94   2HG   GLU   9          HG1       GLU   9   4.213   0.892  -2.619
   95    H    LYS  10           HN       LYS  10   0.088   2.413   0.000
   96    HA   LYS  10           HA       LYS  10   1.271   2.615   2.585
   97   1HB   LYS  10          HB2       LYS  10  -0.414   4.222   1.569
   98   2HB   LYS  10          HB1       LYS  10  -1.646   3.014   1.908
   99   1HG   LYS  10          HG2       LYS  10  -0.459   3.219   4.331
  100   2HG   LYS  10          HG1       LYS  10  -0.260   4.861   3.718
  101   1HD   LYS  10          HD2       LYS  10  -2.779   4.632   3.085
  102   2HD   LYS  10          HD1       LYS  10  -2.770   3.337   4.283
  103   1HE   LYS  10          HE2       LYS  10  -1.439   5.395   5.551
  104   2HE   LYS  10          HE1       LYS  10  -2.708   6.223   4.650
  105   1HZ   LYS  10          HZ1       LYS  10  -3.964   5.698   6.406
  106   2HZ   LYS  10          HZ2       LYS  10  -2.913   4.487   6.945
  107   3HZ   LYS  10          HZ3       LYS  10  -4.038   4.150   5.727
  108    H    LEU  11           HN       LEU  11  -1.056   0.475   1.076
  109    HA   LEU  11           HA       LEU  11  -1.840  -0.843   3.469
  110   1HB   LEU  11          HB2       LEU  11  -2.025  -1.606   0.563
  111   2HB   LEU  11          HB1       LEU  11  -2.617  -2.644   1.846
  112    HG   LEU  11           HG       LEU  11  -3.613   0.133   1.209
  113   1HD1  LEU  11          HD11      LEU  11  -5.721  -1.117   0.699
  114   2HD1  LEU  11          HD12      LEU  11  -4.784  -2.608   0.795
  115   3HD1  LEU  11          HD13      LEU  11  -4.397  -1.402  -0.431
  116   1HD2  LEU  11          HD21      LEU  11  -4.056   0.090   3.432
  117   2HD2  LEU  11          HD22      LEU  11  -4.019  -1.672   3.519
  118   3HD2  LEU  11          HD23      LEU  11  -5.443  -0.849   2.882
  119    H    PHE  12           HN       PHE  12   0.908  -0.972   1.480
  120    HA   PHE  12           HA       PHE  12   1.718  -3.645   2.091
  121   1HB   PHE  12          HB2       PHE  12   2.536  -2.469   0.084
  122   2HB   PHE  12          HB1       PHE  12   3.357  -1.295   1.108
  123    HD1  PHE  12           HD1      PHE  12   3.299  -4.835   0.073
  124    HD2  PHE  12           HD2      PHE  12   5.473  -1.754   2.045
  125    HE1  PHE  12           HE1      PHE  12   5.295  -6.274   0.112
  126    HE2  PHE  12           HE2      PHE  12   7.473  -3.186   2.086
  127    HZ   PHE  12           HZ       PHE  12   7.385  -5.449   1.119
  128    H    SER  13           HN       SER  13   2.253  -0.457   3.474
  129    HA   SER  13           HA       SER  13   4.306  -1.196   5.276
  130   1HB   SER  13          HB2       SER  13   2.363   0.938   6.039
  131   2HB   SER  13          HB1       SER  13   4.125   0.942   6.118
  132    HG   SER  13           HG       SER  13   4.157   1.195   3.855
  133    H    LYS  14           HN       LYS  14   0.810  -1.372   5.392
  134    HA   LYS  14           HA       LYS  14   0.550  -1.913   8.153
  135   1HB   LYS  14          HB2       LYS  14  -1.240  -1.379   6.266
  136   2HB   LYS  14          HB1       LYS  14  -1.337  -3.133   6.186
  137   1HG   LYS  14          HG2       LYS  14  -1.842  -3.189   8.596
  138   2HG   LYS  14          HG1       LYS  14  -1.818  -1.425   8.619
  139   1HD   LYS  14          HD2       LYS  14  -3.632  -1.435   6.920
  140   2HD   LYS  14          HD1       LYS  14  -3.702  -3.192   7.061
  141   1HE   LYS  14          HE2       LYS  14  -5.421  -2.038   8.415
  142   2HE   LYS  14          HE1       LYS  14  -4.330  -3.030   9.380
  143   1HZ   LYS  14          HZ1       LYS  14  -3.945  -0.115   9.009
  144   2HZ   LYS  14          HZ2       LYS  14  -3.192  -1.125  10.138
  145   3HZ   LYS  14          HZ3       LYS  14  -4.838  -0.767  10.291
  146    H    ILE  15           HN       ILE  15   1.355  -3.876   5.384
  147    HA   ILE  15           HA       ILE  15   0.927  -6.415   6.535
  148    HB   ILE  15           HB       ILE  15   3.006  -5.704   4.461
  149   1HG1  ILE  15          HG12      ILE  15   0.099  -6.468   4.097
  150   2HG1  ILE  15          HG11      ILE  15   0.795  -4.881   3.783
  151   1HG2  ILE  15          HG21      ILE  15   2.701  -8.056   5.750
  152   2HG2  ILE  15          HG22      ILE  15   3.301  -7.907   4.099
  153   3HG2  ILE  15          HG23      ILE  15   1.605  -8.290   4.389
  154   1HD1  ILE  15          HD11      ILE  15   0.499  -6.019   1.708
  155   2HD1  ILE  15          HD12      ILE  15   1.362  -7.437   2.305
  156   3HD1  ILE  15          HD13      ILE  15   2.227  -5.922   2.046
  157    H    TRP  16           HN       TRP  16   3.568  -4.118   6.698
  158    HA   TRP  16           HA       TRP  16   5.437  -5.907   7.889
  159   1HB   TRP  16          HB2       TRP  16   5.906  -3.673   6.679
  160   2HB   TRP  16          HB1       TRP  16   5.510  -2.920   8.221
  161    HD1  TRP  16           HD1      TRP  16   7.123  -3.707  10.353
  162    HE1  TRP  16           HE1      TRP  16   9.641  -4.242  10.352
  163    HE3  TRP  16           HE3      TRP  16   7.768  -4.566   5.355
  164    HZ2  TRP  16           HZ2      TRP  16  11.636  -4.936   8.480
  165    HZ3  TRP  16           HZ3      TRP  16  10.013  -5.160   4.540
  166    HH2  TRP  16           HH2      TRP  16  11.906  -5.340   6.072
  167    H    ASN  17           HN       ASN  17   2.708  -4.281   9.038
  168    HA   ASN  17           HA       ASN  17   3.570  -4.116  11.791
  169   1HB   ASN  17          HB2       ASN  17   1.829  -2.616  10.517
  170   2HB   ASN  17          HB1       ASN  17   0.702  -3.898  10.950
  171   1HD2  ASN  17          HD21      ASN  17  -0.193  -1.890  12.042
  172   2HD2  ASN  17          HD22      ASN  17   0.298  -1.631  13.678
  173    H    ASP  18           HN       ASP  18   1.752  -6.283   9.742
  174    HA   ASP  18           HA       ASP  18   0.824  -7.894  11.964
  175   1HB   ASP  18          HB2       ASP  18   0.629  -8.292   8.972
  176   2HB   ASP  18          HB1       ASP  18  -0.096  -9.362  10.167
  177    H    LYS  19           HN       LYS  19   3.453  -7.856   9.687
  178    HA   LYS  19           HA       LYS  19   4.254 -10.528   9.777
  179   1HB   LYS  19          HB2       LYS  19   5.158  -8.772   8.243
  180   2HB   LYS  19          HB1       LYS  19   6.068  -8.117   9.597
  181   1HG   LYS  19          HG2       LYS  19   7.429 -10.035   9.741
  182   2HG   LYS  19          HG1       LYS  19   6.364 -10.961   8.681
  183   1HD   LYS  19          HD2       LYS  19   6.920  -9.333   6.856
  184   2HD   LYS  19          HD1       LYS  19   8.133  -8.638   7.932
  185   1HE   LYS  19          HE2       LYS  19   9.474 -10.518   7.849
  186   2HE   LYS  19          HE1       LYS  19   8.137 -11.577   7.401
  187   1HZ   LYS  19          HZ1       LYS  19   9.620  -9.677   5.687
  188   2HZ   LYS  19          HZ2       LYS  19   8.111 -10.290   5.234
  189   3HZ   LYS  19          HZ3       LYS  19   9.412 -11.343   5.474
  190   1HN   NH2  20          NH1       NH2  20   4.722  -7.926  12.046
  191   2HN   NH2  20          NH2       NH2  20   5.554  -8.846  13.248
  Start of MODEL   12
    1   1H    ALA   1          HT1       ALA   1  -9.401   9.507 -10.837
    2   2H    ALA   1          HT2       ALA   1  -9.709   7.895 -10.337
    3   3H    ALA   1          HT3       ALA   1  -9.159   8.211 -11.932
    4    HA   ALA   1           HA       ALA   1  -7.162   9.238 -10.838
    5   1HB   ALA   1          HB1       ALA   1  -8.165   7.521  -8.571
    6   2HB   ALA   1          HB2       ALA   1  -8.135   9.284  -8.582
    7   3HB   ALA   1          HB3       ALA   1  -6.624   8.376  -8.637
    8    H    LYS   2           HN       LYS   2  -5.872   8.194 -12.203
    9    HA   LYS   2           HA       LYS   2  -6.067   5.289 -12.454
   10   1HB   LYS   2          HB2       LYS   2  -5.519   7.410 -14.261
   11   2HB   LYS   2          HB1       LYS   2  -4.076   6.409 -14.179
   12   1HG   LYS   2          HG2       LYS   2  -6.707   5.068 -14.509
   13   2HG   LYS   2          HG1       LYS   2  -6.005   5.908 -15.892
   14   1HD   LYS   2          HD2       LYS   2  -3.852   4.577 -15.232
   15   2HD   LYS   2          HD1       LYS   2  -4.999   3.518 -14.409
   16   1HE   LYS   2          HE2       LYS   2  -5.092   2.491 -16.411
   17   2HE   LYS   2          HE1       LYS   2  -6.220   3.789 -16.799
   18   1HZ   LYS   2          HZ1       LYS   2  -3.439   3.427 -17.648
   19   2HZ   LYS   2          HZ2       LYS   2  -4.020   5.005 -17.469
   20   3HZ   LYS   2          HZ3       LYS   2  -4.781   3.941 -18.542
   21    H    LYS   3           HN       LYS   3  -4.734   6.872 -10.194
   22    HA   LYS   3           HA       LYS   3  -2.206   5.360 -10.249
   23   1HB   LYS   3          HB2       LYS   3  -1.180   7.286  -8.976
   24   2HB   LYS   3          HB1       LYS   3  -1.534   7.611 -10.667
   25   1HG   LYS   3          HG2       LYS   3  -2.272   9.530  -9.641
   26   2HG   LYS   3          HG1       LYS   3  -3.756   8.583  -9.756
   27   1HD   LYS   3          HD2       LYS   3  -3.601   7.930  -7.462
   28   2HD   LYS   3          HD1       LYS   3  -1.983   8.620  -7.320
   29   1HE   LYS   3          HE2       LYS   3  -2.773  10.692  -6.985
   30   2HE   LYS   3          HE1       LYS   3  -4.004  10.525  -8.236
   31   1HZ   LYS   3          HZ1       LYS   3  -4.752  10.787  -5.819
   32   2HZ   LYS   3          HZ2       LYS   3  -4.301   9.168  -5.633
   33   3HZ   LYS   3          HZ3       LYS   3  -5.497   9.588  -6.753
   34    H    VAL   4           HN       VAL   4  -4.618   4.534  -9.130
   35    HA   VAL   4           HA       VAL   4  -4.691   5.001  -6.318
   36    HB   VAL   4           HB       VAL   4  -6.633   4.039  -7.482
   37   1HG1  VAL   4          HG11      VAL   4  -4.867   2.523  -8.857
   38   2HG1  VAL   4          HG12      VAL   4  -6.596   2.186  -8.760
   39   3HG1  VAL   4          HG13      VAL   4  -5.473   1.344  -7.693
   40   1HG2  VAL   4          HG21      VAL   4  -5.552   2.001  -5.546
   41   2HG2  VAL   4          HG22      VAL   4  -7.238   2.419  -5.853
   42   3HG2  VAL   4          HG23      VAL   4  -6.175   3.575  -5.051
   43    H    PHE   5           HN       PHE   5  -2.619   3.456  -8.405
   44    HA   PHE   5           HA       PHE   5  -1.606   1.242  -7.235
   45   1HB   PHE   5          HB2       PHE   5  -0.951   2.304  -9.416
   46   2HB   PHE   5          HB1       PHE   5   0.013   3.452  -8.501
   47    HD1  PHE   5           HD1      PHE   5   2.244   3.015  -8.830
   48    HD2  PHE   5           HD2      PHE   5  -0.424  -0.249  -8.245
   49    HE1  PHE   5           HE1      PHE   5   4.147   1.456  -8.875
   50    HE2  PHE   5           HE2      PHE   5   1.475  -1.814  -8.288
   51    HZ   PHE   5           HZ       PHE   5   3.764  -0.961  -8.603
   52    H    LYS   6           HN       LYS   6  -1.338   4.467  -6.161
   53    HA   LYS   6           HA       LYS   6   0.887   4.152  -4.427
   54   1HB   LYS   6          HB2       LYS   6  -0.812   6.266  -5.222
   55   2HB   LYS   6          HB1       LYS   6  -0.941   6.163  -3.471
   56   1HG   LYS   6          HG2       LYS   6   1.745   5.976  -3.815
   57   2HG   LYS   6          HG1       LYS   6   1.293   7.034  -5.153
   58   1HD   LYS   6          HD2       LYS   6   0.416   8.661  -3.728
   59   2HD   LYS   6          HD1       LYS   6   0.271   7.533  -2.378
   60   1HE   LYS   6          HE2       LYS   6   2.457   7.742  -1.788
   61   2HE   LYS   6          HE1       LYS   6   2.991   8.013  -3.447
   62   1HZ   LYS   6          HZ1       LYS   6   3.151   9.969  -1.903
   63   2HZ   LYS   6          HZ2       LYS   6   1.461  10.033  -1.912
   64   3HZ   LYS   6          HZ3       LYS   6   2.323  10.254  -3.350
   65    H    ARG   7           HN       ARG   7  -2.594   3.775  -4.064
   66    HA   ARG   7           HA       ARG   7  -2.655   3.447  -1.271
   67   1HB   ARG   7          HB2       ARG   7  -4.472   2.974  -3.521
   68   2HB   ARG   7          HB1       ARG   7  -4.693   1.835  -2.199
   69   1HG   ARG   7          HG2       ARG   7  -5.083   3.628  -0.649
   70   2HG   ARG   7          HG1       ARG   7  -4.700   4.829  -1.884
   71   1HD   ARG   7          HD2       ARG   7  -6.635   4.240  -3.156
   72   2HD   ARG   7          HD1       ARG   7  -6.955   2.847  -2.123
   73    HE   ARG   7           HE       ARG   7  -7.058   4.919  -0.395
   74   1HH1  ARG   7          HH11      ARG   7  -8.606   4.308  -3.462
   75   2HH1  ARG   7          HH12      ARG   7 -10.020   5.228  -3.073
   76   1HH2  ARG   7          HH21      ARG   7  -8.917   6.128   0.119
   77   2HH2  ARG   7          HH22      ARG   7 -10.197   6.263  -1.040
   78    H    LEU   8           HN       LEU   8  -1.902   1.272  -3.911
   79    HA   LEU   8           HA       LEU   8  -2.038  -1.159  -2.500
   80   1HB   LEU   8          HB2       LEU   8  -0.705  -0.215  -4.987
   81   2HB   LEU   8          HB1       LEU   8  -0.139  -1.721  -4.291
   82    HG   LEU   8           HG       LEU   8  -3.070  -1.434  -4.663
   83   1HD1  LEU   8          HD11      LEU   8  -1.093  -1.645  -6.910
   84   2HD1  LEU   8          HD12      LEU   8  -2.481  -0.568  -6.758
   85   3HD1  LEU   8          HD13      LEU   8  -2.728  -2.292  -7.040
   86   1HD2  LEU   8          HD21      LEU   8  -1.549  -3.796  -5.558
   87   2HD2  LEU   8          HD22      LEU   8  -3.042  -3.690  -4.624
   88   3HD2  LEU   8          HD23      LEU   8  -1.486  -3.441  -3.832
   89    H    GLU   9           HN       GLU   9   0.568   1.194  -2.927
   90    HA   GLU   9           HA       GLU   9   2.552  -0.325  -1.584
   91   1HB   GLU   9          HB2       GLU   9   2.573   1.979  -3.044
   92   2HB   GLU   9          HB1       GLU   9   2.757   2.614  -1.415
   93   1HG   GLU   9          HG2       GLU   9   4.532   0.485  -1.533
   94   2HG   GLU   9          HG1       GLU   9   4.672   1.271  -3.105
   95    H    LYS  10           HN       LYS  10   0.031   1.851  -0.545
   96    HA   LYS  10           HA       LYS  10   0.977   2.232   2.107
   97   1HB   LYS  10          HB2       LYS  10  -0.677   3.733   1.079
   98   2HB   LYS  10          HB1       LYS  10  -1.836   2.413   1.005
   99   1HG   LYS  10          HG2       LYS  10  -2.446   2.679   3.132
  100   2HG   LYS  10          HG1       LYS  10  -0.779   2.855   3.682
  101   1HD   LYS  10          HD2       LYS  10  -1.013   5.062   3.835
  102   2HD   LYS  10          HD1       LYS  10  -1.547   5.162   2.157
  103   1HE   LYS  10          HE2       LYS  10  -3.706   5.345   2.734
  104   2HE   LYS  10          HE1       LYS  10  -3.573   4.108   3.983
  105   1HZ   LYS  10          HZ1       LYS  10  -2.687   6.929   4.265
  106   2HZ   LYS  10          HZ2       LYS  10  -2.611   5.741   5.466
  107   3HZ   LYS  10          HZ3       LYS  10  -4.113   6.282   4.907
  108    H    LEU  11           HN       LEU  11  -0.996  -0.183   0.506
  109    HA   LEU  11           HA       LEU  11  -1.902  -1.467   2.865
  110   1HB   LEU  11          HB2       LEU  11  -2.550  -1.679   0.250
  111   2HB   LEU  11          HB1       LEU  11  -1.540  -3.101   0.432
  112    HG   LEU  11           HG       LEU  11  -3.681  -2.689   2.451
  113   1HD1  LEU  11          HD11      LEU  11  -4.523  -4.087  -0.003
  114   2HD1  LEU  11          HD12      LEU  11  -4.433  -2.328  -0.105
  115   3HD1  LEU  11          HD13      LEU  11  -5.452  -3.089   1.116
  116   1HD2  LEU  11          HD21      LEU  11  -2.247  -4.957   1.144
  117   2HD2  LEU  11          HD22      LEU  11  -3.824  -5.232   1.884
  118   3HD2  LEU  11          HD23      LEU  11  -2.488  -4.617   2.857
  119    H    PHE  12           HN       PHE  12   1.063  -1.427   1.198
  120    HA   PHE  12           HA       PHE  12   2.057  -3.951   2.095
  121   1HB   PHE  12          HB2       PHE  12   2.894  -2.124   0.235
  122   2HB   PHE  12          HB1       PHE  12   4.036  -1.836   1.543
  123    HD1  PHE  12           HD1      PHE  12   3.145  -3.946  -1.197
  124    HD2  PHE  12           HD2      PHE  12   5.344  -3.811   2.444
  125    HE1  PHE  12           HE1      PHE  12   4.455  -5.899  -1.920
  126    HE2  PHE  12           HE2      PHE  12   6.658  -5.763   1.728
  127    HZ   PHE  12           HZ       PHE  12   6.215  -6.810  -0.457
  128    H    SER  13           HN       SER  13   2.031  -0.674   3.331
  129    HA   SER  13           HA       SER  13   3.930  -1.018   5.391
  130   1HB   SER  13          HB2       SER  13   1.788   0.944   4.761
  131   2HB   SER  13          HB1       SER  13   2.315   0.870   6.442
  132    HG   SER  13           HG       SER  13   3.534   2.362   5.173
  133    H    LYS  14           HN       LYS  14   0.523  -1.766   5.115
  134    HA   LYS  14           HA       LYS  14  -0.025  -2.218   7.839
  135   1HB   LYS  14          HB2       LYS  14  -1.729  -2.037   5.999
  136   2HB   LYS  14          HB1       LYS  14  -1.266  -3.653   5.484
  137   1HG   LYS  14          HG2       LYS  14  -3.005  -4.237   6.788
  138   2HG   LYS  14          HG1       LYS  14  -1.784  -4.155   8.059
  139   1HD   LYS  14          HD2       LYS  14  -3.503  -2.897   8.960
  140   2HD   LYS  14          HD1       LYS  14  -2.494  -1.657   8.213
  141   1HE   LYS  14          HE2       LYS  14  -4.733  -1.160   7.617
  142   2HE   LYS  14          HE1       LYS  14  -3.967  -1.838   6.181
  143   1HZ   LYS  14          HZ1       LYS  14  -4.986  -3.979   6.719
  144   2HZ   LYS  14          HZ2       LYS  14  -6.152  -2.776   6.493
  145   3HZ   LYS  14          HZ3       LYS  14  -5.758  -3.286   8.056
  146    H    ILE  15           HN       ILE  15   1.514  -4.158   5.371
  147    HA   ILE  15           HA       ILE  15   1.397  -6.659   6.652
  148    HB   ILE  15           HB       ILE  15   3.615  -5.641   4.873
  149   1HG1  ILE  15          HG12      ILE  15   1.239  -5.409   3.970
  150   2HG1  ILE  15          HG11      ILE  15   2.366  -6.329   2.985
  151   1HG2  ILE  15          HG21      ILE  15   3.362  -8.261   4.301
  152   2HG2  ILE  15          HG22      ILE  15   2.917  -8.268   6.007
  153   3HG2  ILE  15          HG23      ILE  15   4.480  -7.623   5.506
  154   1HD1  ILE  15          HD11      ILE  15   1.046  -8.102   3.046
  155   2HD1  ILE  15          HD12      ILE  15  -0.157  -7.111   3.872
  156   3HD1  ILE  15          HD13      ILE  15   0.992  -8.066   4.809
  157    H    TRP  16           HN       TRP  16   3.564  -3.912   6.988
  158    HA   TRP  16           HA       TRP  16   5.492  -5.229   8.596
  159   1HB   TRP  16          HB2       TRP  16   4.839  -2.372   7.997
  160   2HB   TRP  16          HB1       TRP  16   5.939  -2.740   9.322
  161    HD1  TRP  16           HD1      TRP  16   6.286  -1.608   6.031
  162    HE1  TRP  16           HE1      TRP  16   8.408  -2.475   4.859
  163    HE3  TRP  16           HE3      TRP  16   7.394  -5.512   9.140
  164    HZ2  TRP  16           HZ2      TRP  16  10.299  -4.542   5.207
  165    HZ3  TRP  16           HZ3      TRP  16   9.375  -6.885   8.649
  166    HH2  TRP  16           HH2      TRP  16  10.796  -6.409   6.723
  167    H    ASN  17           HN       ASN  17   2.358  -4.093   9.200
  168    HA   ASN  17           HA       ASN  17   2.677  -3.648  12.023
  169   1HB   ASN  17          HB2       ASN  17   0.826  -2.800  10.269
  170   2HB   ASN  17          HB1       ASN  17  -0.013  -4.217  10.896
  171   1HD2  ASN  17          HD21      ASN  17   0.364  -4.345  13.435
  172   2HD2  ASN  17          HD22      ASN  17  -0.073  -2.894  14.265
  173    H    ASP  18           HN       ASP  18   1.827  -6.305   9.926
  174    HA   ASP  18           HA       ASP  18   0.802  -7.987  12.009
  175   1HB   ASP  18          HB2       ASP  18   1.817  -8.817   9.285
  176   2HB   ASP  18          HB1       ASP  18   0.726  -9.719  10.332
  177    H    LYS  19           HN       LYS  19   3.927  -7.362  10.588
  178    HA   LYS  19           HA       LYS  19   5.249  -9.680  11.538
  179   1HB   LYS  19          HB2       LYS  19   6.016  -7.110  10.321
  180   2HB   LYS  19          HB1       LYS  19   7.235  -7.812  11.376
  181   1HG   LYS  19          HG2       LYS  19   6.030  -9.700   9.486
  182   2HG   LYS  19          HG1       LYS  19   6.945  -8.386   8.743
  183   1HD   LYS  19          HD2       LYS  19   8.932  -9.059   9.677
  184   2HD   LYS  19          HD1       LYS  19   8.144  -9.836  11.053
  185   1HE   LYS  19          HE2       LYS  19   8.168 -10.856   8.213
  186   2HE   LYS  19          HE1       LYS  19   9.137 -11.484   9.546
  187   1HZ   LYS  19          HZ1       LYS  19   6.700 -11.657  10.589
  188   2HZ   LYS  19          HZ2       LYS  19   7.424 -12.911   9.716
  189   3HZ   LYS  19          HZ3       LYS  19   6.322 -11.878   8.954
  190   1HN   NH2  20          NH1       NH2  20   4.389  -9.780  13.702
  191   2HN   NH2  20          NH2       NH2  20   5.122  -8.859  14.967
  Start of MODEL   13
    1   1H    ALA   1          HT1       ALA   1  -9.553   9.043  -9.933
    2   2H    ALA   1          HT2       ALA   1  -8.659   7.913  -9.000
    3   3H    ALA   1          HT3       ALA   1  -9.575   7.381 -10.350
    4    HA   ALA   1           HA       ALA   1  -8.169   8.822 -11.746
    5   1HB   ALA   1          HB1       ALA   1  -7.069  10.319 -10.435
    6   2HB   ALA   1          HB2       ALA   1  -5.837   9.059 -10.501
    7   3HB   ALA   1          HB3       ALA   1  -6.893   9.187  -9.094
    8    H    LYS   2           HN       LYS   2  -5.899   7.950 -12.413
    9    HA   LYS   2           HA       LYS   2  -6.064   5.033 -12.223
   10   1HB   LYS   2          HB2       LYS   2  -5.495   6.863 -14.340
   11   2HB   LYS   2          HB1       LYS   2  -4.083   5.843 -14.098
   12   1HG   LYS   2          HG2       LYS   2  -5.125   3.990 -14.845
   13   2HG   LYS   2          HG1       LYS   2  -6.680   4.453 -14.152
   14   1HD   LYS   2          HD2       LYS   2  -7.323   5.591 -16.012
   15   2HD   LYS   2          HD1       LYS   2  -5.677   6.098 -16.400
   16   1HE   LYS   2          HE2       LYS   2  -6.767   3.310 -16.768
   17   2HE   LYS   2          HE1       LYS   2  -6.612   4.513 -18.048
   18   1HZ   LYS   2          HZ1       LYS   2  -4.137   4.502 -17.082
   19   2HZ   LYS   2          HZ2       LYS   2  -4.642   3.497 -18.344
   20   3HZ   LYS   2          HZ3       LYS   2  -4.570   2.897 -16.765
   21    H    LYS   3           HN       LYS   3  -4.943   6.665 -10.079
   22    HA   LYS   3           HA       LYS   3  -2.235   5.495 -10.042
   23   1HB   LYS   3          HB2       LYS   3  -2.456   8.107 -10.329
   24   2HB   LYS   3          HB1       LYS   3  -2.796   8.067  -8.604
   25   1HG   LYS   3          HG2       LYS   3  -0.648   7.837  -8.111
   26   2HG   LYS   3          HG1       LYS   3  -0.476   6.476  -9.220
   27   1HD   LYS   3          HD2       LYS   3   0.430   7.752 -10.831
   28   2HD   LYS   3          HD1       LYS   3  -0.698   9.078 -10.546
   29   1HE   LYS   3          HE2       LYS   3   0.605   9.806  -8.632
   30   2HE   LYS   3          HE1       LYS   3   1.704   8.443  -8.836
   31   1HZ   LYS   3          HZ1       LYS   3   2.158  10.857  -9.844
   32   2HZ   LYS   3          HZ2       LYS   3   1.359  10.153 -11.158
   33   3HZ   LYS   3          HZ3       LYS   3   2.760   9.436 -10.538
   34    H    VAL   4           HN       VAL   4  -4.554   4.305  -9.073
   35    HA   VAL   4           HA       VAL   4  -4.824   4.651  -6.255
   36    HB   VAL   4           HB       VAL   4  -5.349   2.127  -7.844
   37   1HG1  VAL   4          HG11      VAL   4  -5.970   1.240  -5.909
   38   2HG1  VAL   4          HG12      VAL   4  -7.172   2.515  -5.704
   39   3HG1  VAL   4          HG13      VAL   4  -5.539   2.733  -5.075
   40   1HG2  VAL   4          HG21      VAL   4  -6.520   4.113  -8.777
   41   2HG2  VAL   4          HG22      VAL   4  -7.303   4.336  -7.213
   42   3HG2  VAL   4          HG23      VAL   4  -7.612   2.877  -8.154
   43    H    PHE   5           HN       PHE   5  -2.474   3.469  -8.286
   44    HA   PHE   5           HA       PHE   5  -1.217   1.372  -7.154
   45   1HB   PHE   5          HB2       PHE   5  -0.606   2.615  -9.246
   46   2HB   PHE   5          HB1       PHE   5   0.132   3.846  -8.234
   47    HD1  PHE   5           HD1      PHE   5   2.284   3.531  -7.277
   48    HD2  PHE   5           HD2      PHE   5   0.362   0.333  -9.324
   49    HE1  PHE   5           HE1      PHE   5   4.395   2.267  -7.276
   50    HE2  PHE   5           HE2      PHE   5   2.469  -0.938  -9.325
   51    HZ   PHE   5           HZ       PHE   5   4.489   0.029  -8.300
   52    H    LYS   6           HN       LYS   6  -1.402   4.564  -5.952
   53    HA   LYS   6           HA       LYS   6   0.747   4.442  -4.105
   54   1HB   LYS   6          HB2       LYS   6  -0.927   6.427  -4.978
   55   2HB   LYS   6          HB1       LYS   6  -1.532   6.146  -3.351
   56   1HG   LYS   6          HG2       LYS   6   1.388   6.355  -3.568
   57   2HG   LYS   6          HG1       LYS   6   0.495   7.824  -3.969
   58   1HD   LYS   6          HD2       LYS   6  -0.793   7.083  -1.721
   59   2HD   LYS   6          HD1       LYS   6   0.814   6.438  -1.382
   60   1HE   LYS   6          HE2       LYS   6   1.485   8.871  -2.296
   61   2HE   LYS   6          HE1       LYS   6  -0.103   9.238  -1.624
   62   1HZ   LYS   6          HZ1       LYS   6   0.843   7.914   0.401
   63   2HZ   LYS   6          HZ2       LYS   6   1.222   9.549   0.192
   64   3HZ   LYS   6          HZ3       LYS   6   2.337   8.359  -0.256
   65    H    ARG   7           HN       ARG   7  -2.694   3.696  -3.911
   66    HA   ARG   7           HA       ARG   7  -2.806   3.207  -1.142
   67   1HB   ARG   7          HB2       ARG   7  -4.452   2.297  -3.483
   68   2HB   ARG   7          HB1       ARG   7  -4.757   1.650  -1.876
   69   1HG   ARG   7          HG2       ARG   7  -6.255   3.420  -2.087
   70   2HG   ARG   7          HG1       ARG   7  -4.935   4.081  -1.120
   71   1HD   ARG   7          HD2       ARG   7  -4.062   5.283  -2.951
   72   2HD   ARG   7          HD1       ARG   7  -5.045   4.386  -4.108
   73    HE   ARG   7           HE       ARG   7  -5.801   6.725  -2.698
   74   1HH1  ARG   7          HH11      ARG   7  -7.068   3.699  -3.891
   75   2HH1  ARG   7          HH12      ARG   7  -8.688   4.292  -4.037
   76   1HH2  ARG   7          HH21      ARG   7  -7.930   7.506  -2.892
   77   2HH2  ARG   7          HH22      ARG   7  -9.178   6.454  -3.471
   78    H    LEU   8           HN       LEU   8  -1.741   1.285  -3.860
   79    HA   LEU   8           HA       LEU   8  -1.708  -1.233  -2.595
   80   1HB   LEU   8          HB2       LEU   8  -1.086  -0.240  -5.112
   81   2HB   LEU   8          HB1       LEU   8   0.452  -0.829  -4.510
   82    HG   LEU   8           HG       LEU   8  -1.224  -2.915  -3.909
   83   1HD1  LEU   8          HD11      LEU   8  -1.996  -2.417  -6.704
   84   2HD1  LEU   8          HD12      LEU   8  -2.814  -1.427  -5.496
   85   3HD1  LEU   8          HD13      LEU   8  -2.892  -3.186  -5.394
   86   1HD2  LEU   8          HD21      LEU   8  -0.272  -3.706  -6.286
   87   2HD2  LEU   8          HD22      LEU   8   0.722  -3.602  -4.833
   88   3HD2  LEU   8          HD23      LEU   8   0.751  -2.295  -6.016
   89    H    GLU   9           HN       GLU   9   0.693   1.362  -2.814
   90    HA   GLU   9           HA       GLU   9   2.753  -0.066  -1.475
   91   1HB   GLU   9          HB2       GLU   9   2.266   2.775  -2.234
   92   2HB   GLU   9          HB1       GLU   9   3.461   2.464  -0.982
   93   1HG   GLU   9          HG2       GLU   9   4.452   0.776  -2.655
   94   2HG   GLU   9          HG1       GLU   9   3.483   1.632  -3.854
   95    H    LYS  10           HN       LYS  10   0.035   1.852  -0.433
   96    HA   LYS  10           HA       LYS  10   0.876   2.172   2.269
   97   1HB   LYS  10          HB2       LYS  10  -1.137   3.232   0.753
   98   2HB   LYS  10          HB1       LYS  10  -2.026   2.091   1.753
   99   1HG   LYS  10          HG2       LYS  10  -1.292   3.150   3.753
  100   2HG   LYS  10          HG1       LYS  10  -0.145   4.157   2.866
  101   1HD   LYS  10          HD2       LYS  10  -2.315   4.936   1.598
  102   2HD   LYS  10          HD1       LYS  10  -3.111   4.375   3.070
  103   1HE   LYS  10          HE2       LYS  10  -0.821   6.334   3.016
  104   2HE   LYS  10          HE1       LYS  10  -2.521   6.799   3.080
  105   1HZ   LYS  10          HZ1       LYS  10  -2.400   5.095   5.116
  106   2HZ   LYS  10          HZ2       LYS  10  -2.134   6.757   5.282
  107   3HZ   LYS  10          HZ3       LYS  10  -0.820   5.700   5.161
  108    H    LEU  11           HN       LEU  11  -0.804  -0.300   0.465
  109    HA   LEU  11           HA       LEU  11  -1.764  -1.745   2.714
  110   1HB   LEU  11          HB2       LEU  11  -2.225  -1.866   0.036
  111   2HB   LEU  11          HB1       LEU  11  -1.189  -3.263   0.259
  112    HG   LEU  11           HG       LEU  11  -3.507  -3.936   0.380
  113   1HD1  LEU  11          HD11      LEU  11  -3.291  -5.320   2.174
  114   2HD1  LEU  11          HD12      LEU  11  -2.724  -4.035   3.241
  115   3HD1  LEU  11          HD13      LEU  11  -1.628  -4.746   2.056
  116   1HD2  LEU  11          HD21      LEU  11  -4.656  -3.011   2.615
  117   2HD2  LEU  11          HD22      LEU  11  -4.865  -2.250   1.038
  118   3HD2  LEU  11          HD23      LEU  11  -3.690  -1.601   2.181
  119    H    PHE  12           HN       PHE  12   1.263  -1.487   1.158
  120    HA   PHE  12           HA       PHE  12   2.344  -3.981   2.056
  121   1HB   PHE  12          HB2       PHE  12   3.233  -2.688   0.097
  122   2HB   PHE  12          HB1       PHE  12   3.848  -1.488   1.228
  123    HD1  PHE  12           HD1      PHE  12   4.254  -4.872  -0.086
  124    HD2  PHE  12           HD2      PHE  12   5.755  -1.962   2.632
  125    HE1  PHE  12           HE1      PHE  12   6.322  -6.181   0.169
  126    HE2  PHE  12           HE2      PHE  12   7.825  -3.265   2.891
  127    HZ   PHE  12           HZ       PHE  12   8.111  -5.378   1.658
  128    H    SER  13           HN       SER  13   2.216  -0.693   3.276
  129    HA   SER  13           HA       SER  13   4.059  -1.046   5.399
  130   1HB   SER  13          HB2       SER  13   2.028   0.977   4.633
  131   2HB   SER  13          HB1       SER  13   2.450   0.912   6.344
  132    HG   SER  13           HG       SER  13   4.326   1.127   4.224
  133    H    LYS  14           HN       LYS  14   0.664  -1.748   4.986
  134    HA   LYS  14           HA       LYS  14   0.019  -2.118   7.717
  135   1HB   LYS  14          HB2       LYS  14  -1.284  -2.433   5.174
  136   2HB   LYS  14          HB1       LYS  14  -1.584  -3.856   6.162
  137   1HG   LYS  14          HG2       LYS  14  -2.690  -2.645   7.799
  138   2HG   LYS  14          HG1       LYS  14  -1.972  -1.115   7.292
  139   1HD   LYS  14          HD2       LYS  14  -4.013  -0.818   6.354
  140   2HD   LYS  14          HD1       LYS  14  -3.286  -1.750   5.044
  141   1HE   LYS  14          HE2       LYS  14  -4.622  -3.515   5.403
  142   2HE   LYS  14          HE1       LYS  14  -4.461  -3.397   7.155
  143   1HZ   LYS  14          HZ1       LYS  14  -6.473  -2.246   5.393
  144   2HZ   LYS  14          HZ2       LYS  14  -5.978  -1.283   6.692
  145   3HZ   LYS  14          HZ3       LYS  14  -6.621  -2.820   6.978
  146    H    ILE  15           HN       ILE  15   1.454  -4.165   5.262
  147    HA   ILE  15           HA       ILE  15   1.192  -6.627   6.630
  148    HB   ILE  15           HB       ILE  15   3.388  -5.859   4.702
  149   1HG1  ILE  15          HG12      ILE  15   0.654  -7.027   4.132
  150   2HG1  ILE  15          HG11      ILE  15   1.174  -5.392   3.737
  151   1HG2  ILE  15          HG21      ILE  15   2.234  -8.532   5.485
  152   2HG2  ILE  15          HG22      ILE  15   3.837  -7.918   5.889
  153   3HG2  ILE  15          HG23      ILE  15   3.426  -8.274   4.212
  154   1HD1  ILE  15          HD11      ILE  15   1.214  -6.864   1.794
  155   2HD1  ILE  15          HD12      ILE  15   2.362  -7.919   2.619
  156   3HD1  ILE  15          HD13      ILE  15   2.826  -6.271   2.195
  157    H    TRP  16           HN       TRP  16   3.553  -4.031   6.761
  158    HA   TRP  16           HA       TRP  16   5.427  -5.464   8.368
  159   1HB   TRP  16          HB2       TRP  16   5.711  -3.279   6.895
  160   2HB   TRP  16          HB1       TRP  16   5.310  -2.481   8.412
  161    HD1  TRP  16           HD1      TRP  16   6.990  -3.185  10.554
  162    HE1  TRP  16           HE1      TRP  16   9.535  -3.564  10.512
  163    HE3  TRP  16           HE3      TRP  16   7.606  -4.014   5.546
  164    HZ2  TRP  16           HZ2      TRP  16  11.539  -4.138   8.609
  165    HZ3  TRP  16           HZ3      TRP  16   9.870  -4.470   4.697
  166    HH2  TRP  16           HH2      TRP  16  11.795  -4.530   6.198
  167    H    ASN  17           HN       ASN  17   2.462  -3.971   8.983
  168    HA   ASN  17           HA       ASN  17   2.984  -3.359  11.759
  169   1HB   ASN  17          HB2       ASN  17   0.742  -2.993   9.866
  170   2HB   ASN  17          HB1       ASN  17   0.276  -3.264  11.543
  171   1HD2  ASN  17          HD21      ASN  17   0.465  -1.649  12.969
  172   2HD2  ASN  17          HD22      ASN  17   1.130  -0.095  12.615
  173    H    ASP  18           HN       ASP  18   1.661  -5.959   9.852
  174    HA   ASP  18           HA       ASP  18   0.516  -7.340  12.109
  175   1HB   ASP  18          HB2       ASP  18   0.095  -7.449   9.397
  176   2HB   ASP  18          HB1       ASP  18   1.026  -8.916   9.684
  177    H    LYS  19           HN       LYS  19   3.546  -7.304  10.391
  178    HA   LYS  19           HA       LYS  19   4.533  -9.804  11.282
  179   1HB   LYS  19          HB2       LYS  19   5.629  -7.406   9.960
  180   2HB   LYS  19          HB1       LYS  19   6.790  -8.327  10.906
  181   1HG   LYS  19          HG2       LYS  19   5.584 -10.317   9.537
  182   2HG   LYS  19          HG1       LYS  19   5.455  -8.994   8.377
  183   1HD   LYS  19          HD2       LYS  19   7.686  -8.923   8.012
  184   2HD   LYS  19          HD1       LYS  19   8.077  -9.294   9.692
  185   1HE   LYS  19          HE2       LYS  19   7.184 -11.657   9.118
  186   2HE   LYS  19          HE1       LYS  19   7.420 -11.160   7.443
  187   1HZ   LYS  19          HZ1       LYS  19   9.753 -10.638   8.038
  188   2HZ   LYS  19          HZ2       LYS  19   9.372 -12.279   8.184
  189   3HZ   LYS  19          HZ3       LYS  19   9.487 -11.313   9.567
  190   1HN   NH2  20          NH1       NH2  20   5.472  -6.541  12.340
  191   2HN   NH2  20          NH2       NH2  20   5.837  -6.983  13.970
  Start of MODEL   14
    1   1H    ALA   1          HT1       ALA   1  -5.902   8.532 -10.881
    2   2H    ALA   1          HT2       ALA   1  -7.185   9.666 -11.003
    3   3H    ALA   1          HT3       ALA   1  -6.542   8.938 -12.418
    4    HA   ALA   1           HA       ALA   1  -8.185   7.754 -10.305
    5   1HB   ALA   1          HB1       ALA   1  -8.420   8.122 -13.275
    6   2HB   ALA   1          HB2       ALA   1  -9.509   8.677 -12.003
    7   3HB   ALA   1          HB3       ALA   1  -9.413   6.960 -12.396
    8    H    LYS   2           HN       LYS   2  -5.810   7.108 -12.815
    9    HA   LYS   2           HA       LYS   2  -5.969   4.235 -12.272
   10   1HB   LYS   2          HB2       LYS   2  -5.879   5.315 -14.642
   11   2HB   LYS   2          HB1       LYS   2  -4.158   5.473 -14.318
   12   1HG   LYS   2          HG2       LYS   2  -4.335   3.469 -15.480
   13   2HG   LYS   2          HG1       LYS   2  -4.217   2.970 -13.791
   14   1HD   LYS   2          HD2       LYS   2  -6.907   3.245 -14.081
   15   2HD   LYS   2          HD1       LYS   2  -6.439   2.700 -15.693
   16   1HE   LYS   2          HE2       LYS   2  -6.834   0.709 -14.568
   17   2HE   LYS   2          HE1       LYS   2  -5.085   0.895 -14.440
   18   1HZ   LYS   2          HZ1       LYS   2  -7.142   1.202 -12.364
   19   2HZ   LYS   2          HZ2       LYS   2  -5.701   2.076 -12.226
   20   3HZ   LYS   2          HZ3       LYS   2  -5.660   0.386 -12.295
   21    H    LYS   3           HN       LYS   3  -4.833   6.161 -10.362
   22    HA   LYS   3           HA       LYS   3  -2.144   4.968 -10.158
   23   1HB   LYS   3          HB2       LYS   3  -1.372   7.117  -9.129
   24   2HB   LYS   3          HB1       LYS   3  -1.771   7.244 -10.836
   25   1HG   LYS   3          HG2       LYS   3  -3.386   8.736 -10.463
   26   2HG   LYS   3          HG1       LYS   3  -4.022   7.840  -9.083
   27   1HD   LYS   3          HD2       LYS   3  -3.273   9.886  -8.196
   28   2HD   LYS   3          HD1       LYS   3  -2.014   8.719  -7.788
   29   1HE   LYS   3          HE2       LYS   3  -1.541   9.940 -10.370
   30   2HE   LYS   3          HE1       LYS   3  -1.684  11.152  -9.098
   31   1HZ   LYS   3          HZ1       LYS   3   0.526  10.644  -8.980
   32   2HZ   LYS   3          HZ2       LYS   3   0.310   9.025  -9.419
   33   3HZ   LYS   3          HZ3       LYS   3  -0.082   9.535  -7.855
   34    H    VAL   4           HN       VAL   4  -4.483   3.983  -9.017
   35    HA   VAL   4           HA       VAL   4  -4.712   4.753  -6.277
   36    HB   VAL   4           HB       VAL   4  -6.502   3.469  -7.372
   37   1HG1  VAL   4          HG11      VAL   4  -5.229   2.096  -8.873
   38   2HG1  VAL   4          HG12      VAL   4  -6.163   1.045  -7.809
   39   3HG1  VAL   4          HG13      VAL   4  -4.438   1.278  -7.526
   40   1HG2  VAL   4          HG21      VAL   4  -7.102   2.331  -5.498
   41   2HG2  VAL   4          HG22      VAL   4  -5.729   3.217  -4.834
   42   3HG2  VAL   4          HG23      VAL   4  -5.534   1.539  -5.341
   43    H    PHE   5           HN       PHE   5  -2.407   3.243  -8.122
   44    HA   PHE   5           HA       PHE   5  -1.208   1.265  -6.766
   45   1HB   PHE   5          HB2       PHE   5  -0.518   2.234  -8.951
   46   2HB   PHE   5          HB1       PHE   5   0.179   3.596  -8.089
   47    HD1  PHE   5           HD1      PHE   5   2.467   3.539  -8.046
   48    HD2  PHE   5           HD2      PHE   5   0.321  -0.121  -7.708
   49    HE1  PHE   5           HE1      PHE   5   4.592   2.317  -7.828
   50    HE2  PHE   5           HE2      PHE   5   2.441  -1.349  -7.487
   51    HZ   PHE   5           HZ       PHE   5   4.581  -0.130  -7.547
   52    H    LYS   6           HN       LYS   6  -1.310   4.567  -5.881
   53    HA   LYS   6           HA       LYS   6   0.800   4.545  -3.984
   54   1HB   LYS   6          HB2       LYS   6  -0.802   6.495  -5.079
   55   2HB   LYS   6          HB1       LYS   6  -1.405   6.406  -3.430
   56   1HG   LYS   6          HG2       LYS   6   0.566   7.143  -2.520
   57   2HG   LYS   6          HG1       LYS   6   1.533   6.576  -3.884
   58   1HD   LYS   6          HD2       LYS   6   0.510   8.360  -5.278
   59   2HD   LYS   6          HD1       LYS   6  -0.313   8.963  -3.837
   60   1HE   LYS   6          HE2       LYS   6   1.713  10.240  -4.274
   61   2HE   LYS   6          HE1       LYS   6   1.852   9.342  -2.762
   62   1HZ   LYS   6          HZ1       LYS   6   3.414   7.947  -3.627
   63   2HZ   LYS   6          HZ2       LYS   6   3.773   9.339  -4.517
   64   3HZ   LYS   6          HZ3       LYS   6   2.860   8.101  -5.219
   65    H    ARG   7           HN       ARG   7  -2.694   4.052  -3.762
   66    HA   ARG   7           HA       ARG   7  -2.841   3.778  -0.967
   67   1HB   ARG   7          HB2       ARG   7  -4.549   2.841  -3.249
   68   2HB   ARG   7          HB1       ARG   7  -4.895   2.299  -1.613
   69   1HG   ARG   7          HG2       ARG   7  -6.263   4.137  -1.817
   70   2HG   ARG   7          HG1       ARG   7  -4.840   4.824  -1.032
   71   1HD   ARG   7          HD2       ARG   7  -4.443   6.180  -2.754
   72   2HD   ARG   7          HD1       ARG   7  -4.585   4.860  -3.914
   73    HE   ARG   7           HE       ARG   7  -6.695   5.578  -4.390
   74   1HH1  ARG   7          HH11      ARG   7  -5.769   6.882  -1.288
   75   2HH1  ARG   7          HH12      ARG   7  -7.191   7.857  -1.133
   76   1HH2  ARG   7          HH21      ARG   7  -8.565   6.861  -4.190
   77   2HH2  ARG   7          HH22      ARG   7  -8.779   7.845  -2.781
   78    H    LEU   8           HN       LEU   8  -1.919   1.590  -3.529
   79    HA   LEU   8           HA       LEU   8  -2.070  -0.827  -2.085
   80   1HB   LEU   8          HB2       LEU   8  -1.666  -0.319  -4.639
   81   2HB   LEU   8          HB1       LEU   8   0.022  -0.387  -4.172
   82    HG   LEU   8           HG       LEU   8  -0.594  -2.537  -5.003
   83   1HD1  LEU   8          HD11      LEU   8  -0.638  -2.826  -2.013
   84   2HD1  LEU   8          HD12      LEU   8   0.812  -2.367  -2.906
   85   3HD1  LEU   8          HD13      LEU   8   0.046  -3.926  -3.210
   86   1HD2  LEU   8          HD21      LEU   8  -2.430  -3.738  -3.481
   87   2HD2  LEU   8          HD22      LEU   8  -2.838  -2.853  -4.951
   88   3HD2  LEU   8          HD23      LEU   8  -3.022  -2.080  -3.376
   89    H    GLU   9           HN       GLU   9   0.453   1.617  -2.416
   90    HA   GLU   9           HA       GLU   9   2.475   0.154  -1.068
   91   1HB   GLU   9          HB2       GLU   9   2.122   2.849  -2.121
   92   2HB   GLU   9          HB1       GLU   9   3.025   2.845  -0.612
   93   1HG   GLU   9          HG2       GLU   9   3.821   0.870  -2.666
   94   2HG   GLU   9          HG1       GLU   9   4.180   2.566  -2.987
   95    H    LYS  10           HN       LYS  10  -0.143   2.218  -0.014
   96    HA   LYS  10           HA       LYS  10   0.753   2.511   2.674
   97   1HB   LYS  10          HB2       LYS  10  -1.308   3.572   1.126
   98   2HB   LYS  10          HB1       LYS  10  -2.140   2.619   2.347
   99   1HG   LYS  10          HG2       LYS  10  -1.980   4.739   3.289
  100   2HG   LYS  10          HG1       LYS  10  -0.662   3.839   4.042
  101   1HD   LYS  10          HD2       LYS  10   0.017   5.233   1.536
  102   2HD   LYS  10          HD1       LYS  10  -0.380   6.276   2.903
  103   1HE   LYS  10          HE2       LYS  10   1.752   6.012   3.516
  104   2HE   LYS  10          HE1       LYS  10   1.271   4.397   4.035
  105   1HZ   LYS  10          HZ1       LYS  10   1.752   3.839   1.546
  106   2HZ   LYS  10          HZ2       LYS  10   3.016   3.915   2.667
  107   3HZ   LYS  10          HZ3       LYS  10   2.730   5.218   1.627
  108    H    LEU  11           HN       LEU  11  -1.265   0.203   0.960
  109    HA   LEU  11           HA       LEU  11  -2.135  -1.189   3.280
  110   1HB   LEU  11          HB2       LEU  11  -2.147  -1.749   0.347
  111   2HB   LEU  11          HB1       LEU  11  -2.481  -3.059   1.463
  112    HG   LEU  11           HG       LEU  11  -4.044  -0.610   1.942
  113   1HD1  LEU  11          HD11      LEU  11  -4.461  -0.299  -0.257
  114   2HD1  LEU  11          HD12      LEU  11  -5.601  -1.617   0.012
  115   3HD1  LEU  11          HD13      LEU  11  -4.018  -1.950  -0.689
  116   1HD2  LEU  11          HD21      LEU  11  -4.432  -2.656   3.188
  117   2HD2  LEU  11          HD22      LEU  11  -4.732  -3.535   1.688
  118   3HD2  LEU  11          HD23      LEU  11  -5.841  -2.264   2.202
  119    H    PHE  12           HN       PHE  12   0.745  -1.148   1.467
  120    HA   PHE  12           HA       PHE  12   1.678  -3.753   2.215
  121   1HB   PHE  12          HB2       PHE  12   2.438  -2.065   0.273
  122   2HB   PHE  12          HB1       PHE  12   3.618  -1.613   1.499
  123    HD1  PHE  12           HD1      PHE  12   2.597  -4.114  -0.900
  124    HD2  PHE  12           HD2      PHE  12   5.198  -3.307   2.370
  125    HE1  PHE  12           HE1      PHE  12   3.978  -6.053  -1.525
  126    HE2  PHE  12           HE2      PHE  12   6.584  -5.243   1.751
  127    HZ   PHE  12           HZ       PHE  12   5.975  -6.619  -0.199
  128    H    SER  13           HN       SER  13   1.817  -0.525   3.535
  129    HA   SER  13           HA       SER  13   3.873  -0.991   5.431
  130   1HB   SER  13          HB2       SER  13   3.409   1.281   4.994
  131   2HB   SER  13          HB1       SER  13   1.673   1.057   5.206
  132    HG   SER  13           HG       SER  13   1.929   0.996   7.369
  133    H    LYS  14           HN       LYS  14   0.406  -1.513   5.406
  134    HA   LYS  14           HA       LYS  14   0.107  -1.998   8.183
  135   1HB   LYS  14          HB2       LYS  14  -1.516  -2.579   5.739
  136   2HB   LYS  14          HB1       LYS  14  -1.935  -3.391   7.242
  137   1HG   LYS  14          HG2       LYS  14  -3.290  -1.485   7.171
  138   2HG   LYS  14          HG1       LYS  14  -1.993  -1.084   8.299
  139   1HD   LYS  14          HD2       LYS  14  -0.807  -0.024   6.312
  140   2HD   LYS  14          HD1       LYS  14  -2.343  -0.170   5.455
  141   1HE   LYS  14          HE2       LYS  14  -2.613   1.923   6.303
  142   2HE   LYS  14          HE1       LYS  14  -3.244   0.996   7.663
  143   1HZ   LYS  14          HZ1       LYS  14  -1.775   2.244   8.797
  144   2HZ   LYS  14          HZ2       LYS  14  -0.795   2.543   7.451
  145   3HZ   LYS  14          HZ3       LYS  14  -0.663   1.077   8.284
  146    H    ILE  15           HN       ILE  15   0.899  -4.041   5.426
  147    HA   ILE  15           HA       ILE  15   0.745  -6.516   6.786
  148    HB   ILE  15           HB       ILE  15   2.532  -5.843   4.443
  149   1HG1  ILE  15          HG12      ILE  15  -0.306  -6.894   4.422
  150   2HG1  ILE  15          HG11      ILE  15   0.155  -5.239   4.037
  151   1HG2  ILE  15          HG21      ILE  15   2.535  -8.104   5.927
  152   2HG2  ILE  15          HG22      ILE  15   2.958  -8.041   4.216
  153   3HG2  ILE  15          HG23      ILE  15   1.331  -8.513   4.705
  154   1HD1  ILE  15          HD11      ILE  15   1.746  -6.730   2.368
  155   2HD1  ILE  15          HD12      ILE  15   0.240  -5.924   1.928
  156   3HD1  ILE  15          HD13      ILE  15   0.227  -7.626   2.393
  157    H    TRP  16           HN       TRP  16   3.201  -4.047   6.531
  158    HA   TRP  16           HA       TRP  16   5.316  -5.617   7.618
  159   1HB   TRP  16          HB2       TRP  16   4.946  -2.883   6.695
  160   2HB   TRP  16          HB1       TRP  16   5.937  -2.956   8.148
  161    HD1  TRP  16           HD1      TRP  16   6.178  -3.279   4.481
  162    HE1  TRP  16           HE1      TRP  16   8.479  -4.210   3.802
  163    HE3  TRP  16           HE3      TRP  16   7.800  -4.859   9.065
  164    HZ2  TRP  16           HZ2      TRP  16  10.689  -5.451   5.045
  165    HZ3  TRP  16           HZ3      TRP  16  10.019  -5.908   9.233
  166    HH2  TRP  16           HH2      TRP  16  11.433  -6.197   7.264
  167    H    ASN  17           HN       ASN  17   2.599  -4.087   8.929
  168    HA   ASN  17           HA       ASN  17   3.691  -3.643  11.559
  169   1HB   ASN  17          HB2       ASN  17   1.724  -2.389  10.422
  170   2HB   ASN  17          HB1       ASN  17   0.753  -3.768  10.928
  171   1HD2  ASN  17          HD21      ASN  17  -0.472  -2.452  12.288
  172   2HD2  ASN  17          HD22      ASN  17   0.145  -1.877  13.796
  173    H    ASP  18           HN       ASP  18   1.760  -6.097   9.928
  174    HA   ASP  18           HA       ASP  18   1.384  -7.610  12.370
  175   1HB   ASP  18          HB2       ASP  18   0.223  -9.235  10.911
  176   2HB   ASP  18          HB1       ASP  18  -0.414  -7.604  10.732
  177    H    LYS  19           HN       LYS  19   3.588  -7.517   9.698
  178    HA   LYS  19           HA       LYS  19   4.615 -10.175  10.111
  179   1HB   LYS  19          HB2       LYS  19   4.674  -8.454   8.003
  180   2HB   LYS  19          HB1       LYS  19   6.291  -8.233   8.657
  181   1HG   LYS  19          HG2       LYS  19   6.781  -9.962   7.316
  182   2HG   LYS  19          HG1       LYS  19   6.147 -10.921   8.655
  183   1HD   LYS  19          HD2       LYS  19   3.890 -10.231   7.205
  184   2HD   LYS  19          HD1       LYS  19   5.104 -10.557   5.966
  185   1HE   LYS  19          HE2       LYS  19   4.384 -12.683   6.251
  186   2HE   LYS  19          HE1       LYS  19   5.550 -12.650   7.573
  187   1HZ   LYS  19          HZ1       LYS  19   2.650 -12.720   7.661
  188   2HZ   LYS  19          HZ2       LYS  19   3.385 -11.702   8.794
  189   3HZ   LYS  19          HZ3       LYS  19   3.783 -13.345   8.751
  190   1HN   NH2  20          NH1       NH2  20   5.203 -10.170  12.294
  191   2HN   NH2  20          NH2       NH2  20   6.613  -9.349  12.864
  Start of MODEL   15
    1   1H    ALA   1          HT1       ALA   1  -7.190   8.545 -13.558
    2   2H    ALA   1          HT2       ALA   1  -5.772   9.389 -13.086
    3   3H    ALA   1          HT3       ALA   1  -7.318  10.066 -12.776
    4    HA   ALA   1           HA       ALA   1  -6.126   9.025 -10.872
    5   1HB   ALA   1          HB1       ALA   1  -8.323   9.519 -10.428
    6   2HB   ALA   1          HB2       ALA   1  -8.336   7.765 -10.246
    7   3HB   ALA   1          HB3       ALA   1  -8.931   8.502 -11.734
    8    H    LYS   2           HN       LYS   2  -4.902   7.581 -12.935
    9    HA   LYS   2           HA       LYS   2  -5.562   4.780 -12.397
   10   1HB   LYS   2          HB2       LYS   2  -4.812   6.105 -14.719
   11   2HB   LYS   2          HB1       LYS   2  -3.353   5.247 -14.241
   12   1HG   LYS   2          HG2       LYS   2  -5.931   3.766 -14.249
   13   2HG   LYS   2          HG1       LYS   2  -5.155   4.133 -15.791
   14   1HD   LYS   2          HD2       LYS   2  -3.301   3.091 -13.795
   15   2HD   LYS   2          HD1       LYS   2  -4.608   1.968 -14.178
   16   1HE   LYS   2          HE2       LYS   2  -4.039   1.926 -16.464
   17   2HE   LYS   2          HE1       LYS   2  -3.004   3.346 -16.313
   18   1HZ   LYS   2          HZ1       LYS   2  -1.690   1.831 -14.696
   19   2HZ   LYS   2          HZ2       LYS   2  -1.486   1.642 -16.365
   20   3HZ   LYS   2          HZ3       LYS   2  -2.472   0.568 -15.507
   21    H    LYS   3           HN       LYS   3  -4.312   6.432 -10.371
   22    HA   LYS   3           HA       LYS   3  -1.816   4.897 -10.038
   23   1HB   LYS   3          HB2       LYS   3  -0.746   6.818  -9.006
   24   2HB   LYS   3          HB1       LYS   3  -1.288   7.246 -10.623
   25   1HG   LYS   3          HG2       LYS   3  -2.783   8.758  -9.871
   26   2HG   LYS   3          HG1       LYS   3  -3.174   7.818  -8.429
   27   1HD   LYS   3          HD2       LYS   3  -0.590   8.516  -7.935
   28   2HD   LYS   3          HD1       LYS   3  -1.167   9.925  -8.826
   29   1HE   LYS   3          HE2       LYS   3  -3.115  10.012  -7.259
   30   2HE   LYS   3          HE1       LYS   3  -2.339   8.740  -6.315
   31   1HZ   LYS   3          HZ1       LYS   3  -0.353  10.492  -6.488
   32   2HZ   LYS   3          HZ2       LYS   3  -1.483  10.499  -5.230
   33   3HZ   LYS   3          HZ3       LYS   3  -1.667  11.558  -6.536
   34    H    VAL   4           HN       VAL   4  -4.326   4.149  -9.102
   35    HA   VAL   4           HA       VAL   4  -4.690   4.840  -6.361
   36    HB   VAL   4           HB       VAL   4  -6.498   3.761  -7.621
   37   1HG1  VAL   4          HG11      VAL   4  -5.784   2.230  -9.108
   38   2HG1  VAL   4          HG12      VAL   4  -6.018   1.106  -7.770
   39   3HG1  VAL   4          HG13      VAL   4  -4.411   1.747  -8.112
   40   1HG2  VAL   4          HG21      VAL   4  -7.329   2.637  -5.838
   41   2HG2  VAL   4          HG22      VAL   4  -5.906   3.315  -5.048
   42   3HG2  VAL   4          HG23      VAL   4  -5.878   1.654  -5.641
   43    H    PHE   5           HN       PHE   5  -2.418   3.135  -8.091
   44    HA   PHE   5           HA       PHE   5  -1.507   1.048  -6.656
   45   1HB   PHE   5          HB2       PHE   5  -0.619   1.954  -8.818
   46   2HB   PHE   5          HB1       PHE   5   0.208   3.199  -7.896
   47    HD1  PHE   5           HD1      PHE   5   2.466   2.762  -8.156
   48    HD2  PHE   5           HD2      PHE   5  -0.166  -0.435  -7.176
   49    HE1  PHE   5           HE1      PHE   5   4.398   1.265  -7.866
   50    HE2  PHE   5           HE2      PHE   5   1.760  -1.937  -6.883
   51    HZ   PHE   5           HZ       PHE   5   4.046  -1.087  -7.228
   52    H    LYS   6           HN       LYS   6  -1.356   4.355  -5.818
   53    HA   LYS   6           HA       LYS   6   0.653   4.219  -3.830
   54   1HB   LYS   6          HB2       LYS   6  -0.248   6.320  -4.933
   55   2HB   LYS   6          HB1       LYS   6  -1.656   6.165  -3.892
   56   1HG   LYS   6          HG2       LYS   6  -0.138   6.268  -1.926
   57   2HG   LYS   6          HG1       LYS   6   1.196   6.596  -3.034
   58   1HD   LYS   6          HD2       LYS   6   0.565   8.731  -3.351
   59   2HD   LYS   6          HD1       LYS   6  -1.149   8.315  -3.420
   60   1HE   LYS   6          HE2       LYS   6   0.492   8.506  -0.896
   61   2HE   LYS   6          HE1       LYS   6  -0.585   9.764  -1.501
   62   1HZ   LYS   6          HZ1       LYS   6  -1.310   7.070  -0.509
   63   2HZ   LYS   6          HZ2       LYS   6  -2.388   8.029  -1.392
   64   3HZ   LYS   6          HZ3       LYS   6  -1.799   8.571   0.098
   65    H    ARG   7           HN       ARG   7  -2.869   3.898  -3.753
   66    HA   ARG   7           HA       ARG   7  -3.148   3.699  -0.961
   67   1HB   ARG   7          HB2       ARG   7  -4.813   3.308  -3.293
   68   2HB   ARG   7          HB1       ARG   7  -5.115   2.050  -2.102
   69   1HG   ARG   7          HG2       ARG   7  -6.002   3.492  -0.592
   70   2HG   ARG   7          HG1       ARG   7  -4.998   4.842  -1.124
   71   1HD   ARG   7          HD2       ARG   7  -6.418   5.396  -2.847
   72   2HD   ARG   7          HD1       ARG   7  -7.077   3.765  -2.969
   73    HE   ARG   7           HE       ARG   7  -7.944   4.568  -0.550
   74   1HH1  ARG   7          HH11      ARG   7  -8.079   6.049  -3.708
   75   2HH1  ARG   7          HH12      ARG   7  -9.552   6.899  -3.383
   76   1HH2  ARG   7          HH21      ARG   7  -9.882   5.683  -0.123
   77   2HH2  ARG   7          HH22      ARG   7 -10.576   6.691  -1.348
   78    H    LEU   8           HN       LEU   8  -2.350   1.352  -3.450
   79    HA   LEU   8           HA       LEU   8  -2.614  -0.978  -1.892
   80   1HB   LEU   8          HB2       LEU   8  -2.024  -0.463  -4.500
   81   2HB   LEU   8          HB1       LEU   8  -0.452  -0.951  -3.897
   82    HG   LEU   8           HG       LEU   8  -1.394  -3.080  -3.129
   83   1HD1  LEU   8          HD11      LEU   8  -3.589  -2.920  -2.613
   84   2HD1  LEU   8          HD12      LEU   8  -3.779  -3.465  -4.279
   85   3HD1  LEU   8          HD13      LEU   8  -3.918  -1.750  -3.892
   86   1HD2  LEU   8          HD21      LEU   8  -1.753  -2.288  -5.998
   87   2HD2  LEU   8          HD22      LEU   8  -2.061  -3.936  -5.453
   88   3HD2  LEU   8          HD23      LEU   8  -0.457  -3.229  -5.261
   89    H    GLU   9           HN       GLU   9   0.033   1.307  -2.341
   90    HA   GLU   9           HA       GLU   9   1.988  -0.181  -0.936
   91   1HB   GLU   9          HB2       GLU   9   1.929   2.217  -2.345
   92   2HB   GLU   9          HB1       GLU   9   2.292   2.708  -0.696
   93   1HG   GLU   9          HG2       GLU   9   3.850   0.410  -1.554
   94   2HG   GLU   9          HG1       GLU   9   4.098   1.829  -2.571
   95    H    LYS  10           HN       LYS  10  -0.591   1.947   0.042
   96    HA   LYS  10           HA       LYS  10   0.301   2.377   2.707
   97   1HB   LYS  10          HB2       LYS  10  -2.043   3.018   1.103
   98   2HB   LYS  10          HB1       LYS  10  -2.481   2.571   2.746
   99   1HG   LYS  10          HG2       LYS  10  -2.205   4.866   2.867
  100   2HG   LYS  10          HG1       LYS  10  -0.665   4.242   3.462
  101   1HD   LYS  10          HD2       LYS  10  -0.105   4.418   0.839
  102   2HD   LYS  10          HD1       LYS  10  -1.288   5.720   0.980
  103   1HE   LYS  10          HE2       LYS  10   0.014   6.873   2.562
  104   2HE   LYS  10          HE1       LYS  10   1.031   5.467   2.872
  105   1HZ   LYS  10          HZ1       LYS  10   1.471   5.832   0.276
  106   2HZ   LYS  10          HZ2       LYS  10   2.415   6.544   1.485
  107   3HZ   LYS  10          HZ3       LYS  10   1.184   7.434   0.741
  108    H    LEU  11           HN       LEU  11  -1.903   0.049   1.188
  109    HA   LEU  11           HA       LEU  11  -2.571  -1.260   3.620
  110   1HB   LEU  11          HB2       LEU  11  -3.263  -1.490   0.856
  111   2HB   LEU  11          HB1       LEU  11  -2.811  -3.077   1.450
  112    HG   LEU  11           HG       LEU  11  -5.243  -2.621   1.598
  113   1HD1  LEU  11          HD11      LEU  11  -4.789  -4.272   3.074
  114   2HD1  LEU  11          HD12      LEU  11  -5.238  -3.027   4.240
  115   3HD1  LEU  11          HD13      LEU  11  -3.536  -3.344   3.899
  116   1HD2  LEU  11          HD21      LEU  11  -6.141  -0.872   2.709
  117   2HD2  LEU  11          HD22      LEU  11  -4.580  -0.130   2.358
  118   3HD2  LEU  11          HD23      LEU  11  -4.875  -0.860   3.936
  119    H    PHE  12           HN       PHE  12   0.128  -1.341   1.559
  120    HA   PHE  12           HA       PHE  12   1.066  -3.948   2.319
  121   1HB   PHE  12          HB2       PHE  12   1.710  -2.150   0.305
  122   2HB   PHE  12          HB1       PHE  12   3.111  -2.084   1.369
  123    HD1  PHE  12           HD1      PHE  12   4.834  -3.454   0.757
  124    HD2  PHE  12           HD2      PHE  12   0.840  -4.733   0.032
  125    HE1  PHE  12           HE1      PHE  12   5.685  -5.538  -0.236
  126    HE2  PHE  12           HE2      PHE  12   1.684  -6.820  -0.961
  127    HZ   PHE  12           HZ       PHE  12   4.110  -7.225  -1.096
  128    H    SER  13           HN       SER  13   1.349  -0.680   3.478
  129    HA   SER  13           HA       SER  13   3.597  -1.043   5.159
  130   1HB   SER  13          HB2       SER  13   1.453   0.991   4.849
  131   2HB   SER  13          HB1       SER  13   2.271   0.941   6.411
  132    HG   SER  13           HG       SER  13   3.675   1.023   3.956
  133    H    LYS  14           HN       LYS  14   0.149  -1.602   5.539
  134    HA   LYS  14           HA       LYS  14   0.160  -1.999   8.341
  135   1HB   LYS  14          HB2       LYS  14  -1.688  -2.768   6.110
  136   2HB   LYS  14          HB1       LYS  14  -1.936  -3.451   7.711
  137   1HG   LYS  14          HG2       LYS  14  -1.575  -0.670   8.041
  138   2HG   LYS  14          HG1       LYS  14  -2.708  -0.900   6.708
  139   1HD   LYS  14          HD2       LYS  14  -3.730  -2.674   8.411
  140   2HD   LYS  14          HD1       LYS  14  -2.982  -1.586   9.582
  141   1HE   LYS  14          HE2       LYS  14  -4.922  -0.462   9.416
  142   2HE   LYS  14          HE1       LYS  14  -4.200   0.192   7.946
  143   1HZ   LYS  14          HZ1       LYS  14  -5.607  -2.336   7.665
  144   2HZ   LYS  14          HZ2       LYS  14  -5.576  -0.993   6.637
  145   3HZ   LYS  14          HZ3       LYS  14  -6.573  -0.989   8.003
  146    H    ILE  15           HN       ILE  15   0.627  -4.171   5.595
  147    HA   ILE  15           HA       ILE  15   0.735  -6.569   7.085
  148    HB   ILE  15           HB       ILE  15   2.170  -5.990   4.489
  149   1HG1  ILE  15          HG12      ILE  15  -0.646  -7.005   4.946
  150   2HG1  ILE  15          HG11      ILE  15  -0.215  -5.420   4.313
  151   1HG2  ILE  15          HG21      ILE  15   1.411  -8.501   5.938
  152   2HG2  ILE  15          HG22      ILE  15   2.979  -8.024   5.287
  153   3HG2  ILE  15          HG23      ILE  15   1.677  -8.494   4.195
  154   1HD1  ILE  15          HD11      ILE  15  -0.912  -6.927   2.542
  155   2HD1  ILE  15          HD12      ILE  15   0.364  -8.059   2.991
  156   3HD1  ILE  15          HD13      ILE  15   0.780  -6.468   2.354
  157    H    TRP  16           HN       TRP  16   3.038  -4.042   6.437
  158    HA   TRP  16           HA       TRP  16   5.349  -5.506   7.237
  159   1HB   TRP  16          HB2       TRP  16   4.999  -3.178   5.903
  160   2HB   TRP  16          HB1       TRP  16   5.375  -2.562   7.509
  161    HD1  TRP  16           HD1      TRP  16   7.019  -5.714   6.036
  162    HE1  TRP  16           HE1      TRP  16   9.542  -5.268   5.788
  163    HE3  TRP  16           HE3      TRP  16   7.097  -0.758   7.289
  164    HZ2  TRP  16           HZ2      TRP  16  11.329  -3.103   6.085
  165    HZ3  TRP  16           HZ3      TRP  16   9.254   0.427   7.283
  166    HH2  TRP  16           HH2      TRP  16  11.325  -0.723   6.694
  167    H    ASN  17           HN       ASN  17   2.809  -3.962   8.883
  168    HA   ASN  17           HA       ASN  17   4.249  -3.461  11.326
  169   1HB   ASN  17          HB2       ASN  17   1.314  -3.405  10.616
  170   2HB   ASN  17          HB1       ASN  17   1.907  -3.087  12.243
  171   1HD2  ASN  17          HD21      ASN  17   0.458  -1.312  10.518
  172   2HD2  ASN  17          HD22      ASN  17   1.468   0.063  10.248
  173    H    ASP  18           HN       ASP  18   2.319  -6.031   9.957
  174    HA   ASP  18           HA       ASP  18   2.111  -7.473  12.454
  175   1HB   ASP  18          HB2       ASP  18   0.528  -7.472  10.308
  176   2HB   ASP  18          HB1       ASP  18   1.578  -8.807   9.843
  177    H    LYS  19           HN       LYS  19   4.169  -7.445   9.636
  178    HA   LYS  19           HA       LYS  19   5.429  -9.962  10.190
  179   1HB   LYS  19          HB2       LYS  19   5.252  -8.512   7.957
  180   2HB   LYS  19          HB1       LYS  19   6.795  -7.900   8.535
  181   1HG   LYS  19          HG2       LYS  19   6.325 -10.844   8.376
  182   2HG   LYS  19          HG1       LYS  19   6.731  -9.927   6.923
  183   1HD   LYS  19          HD2       LYS  19   8.813  -9.255   7.808
  184   2HD   LYS  19          HD1       LYS  19   8.368  -9.757   9.441
  185   1HE   LYS  19          HE2       LYS  19   8.094 -12.092   8.100
  186   2HE   LYS  19          HE1       LYS  19   9.398 -11.340   7.182
  187   1HZ   LYS  19          HZ1       LYS  19  10.421 -10.919   9.481
  188   2HZ   LYS  19          HZ2       LYS  19  10.497 -12.484   8.845
  189   3HZ   LYS  19          HZ3       LYS  19   9.349 -12.109  10.029
  190   1HN   NH2  20          NH1       NH2  20   6.433 -10.089  12.104
  191   2HN   NH2  20          NH2       NH2  20   7.672  -9.016  12.653
  Start of MODEL   16
    1   1H    ALA   1          HT1       ALA   1  -5.802   8.420 -15.891
    2   2H    ALA   1          HT2       ALA   1  -6.566   7.030 -15.235
    3   3H    ALA   1          HT3       ALA   1  -4.855   7.100 -15.345
    4    HA   ALA   1           HA       ALA   1  -4.668   8.630 -13.687
    5   1HB   ALA   1          HB1       ALA   1  -6.756   9.700 -12.710
    6   2HB   ALA   1          HB2       ALA   1  -7.593   9.129 -14.154
    7   3HB   ALA   1          HB3       ALA   1  -6.246  10.258 -14.304
    8    H    LYS   2           HN       LYS   2  -5.060   5.793 -13.833
    9    HA   LYS   2           HA       LYS   2  -6.583   5.197 -11.401
   10   1HB   LYS   2          HB2       LYS   2  -6.772   3.894 -13.660
   11   2HB   LYS   2          HB1       LYS   2  -5.293   3.108 -13.122
   12   1HG   LYS   2          HG2       LYS   2  -6.696   1.651 -12.167
   13   2HG   LYS   2          HG1       LYS   2  -6.823   2.876 -10.903
   14   1HD   LYS   2          HD2       LYS   2  -8.623   3.239 -13.205
   15   2HD   LYS   2          HD1       LYS   2  -8.941   1.816 -12.211
   16   1HE   LYS   2          HE2       LYS   2  -8.616   4.592 -11.089
   17   2HE   LYS   2          HE1       LYS   2 -10.175   3.903 -11.539
   18   1HZ   LYS   2          HZ1       LYS   2  -9.536   2.009  -9.986
   19   2HZ   LYS   2          HZ2       LYS   2  -9.974   3.479  -9.274
   20   3HZ   LYS   2          HZ3       LYS   2  -8.343   3.048  -9.385
   21    H    LYS   3           HN       LYS   3  -4.459   6.559 -10.670
   22    HA   LYS   3           HA       LYS   3  -2.292   4.682 -10.043
   23   1HB   LYS   3          HB2       LYS   3  -2.094   7.213 -10.880
   24   2HB   LYS   3          HB1       LYS   3  -2.208   7.527  -9.154
   25   1HG   LYS   3          HG2       LYS   3  -0.347   5.585  -9.152
   26   2HG   LYS   3          HG1       LYS   3  -0.028   6.324 -10.722
   27   1HD   LYS   3          HD2       LYS   3  -0.372   8.072  -8.328
   28   2HD   LYS   3          HD1       LYS   3   1.155   7.217  -8.559
   29   1HE   LYS   3          HE2       LYS   3   1.563   9.216  -9.637
   30   2HE   LYS   3          HE1       LYS   3   1.028   8.190 -10.966
   31   1HZ   LYS   3          HZ1       LYS   3  -0.391   9.847 -11.376
   32   2HZ   LYS   3          HZ2       LYS   3  -0.212  10.534  -9.841
   33   3HZ   LYS   3          HZ3       LYS   3  -1.286   9.248 -10.071
   34    H    VAL   4           HN       VAL   4  -4.727   4.196  -8.799
   35    HA   VAL   4           HA       VAL   4  -4.763   5.211  -6.129
   36    HB   VAL   4           HB       VAL   4  -5.869   2.568  -7.115
   37   1HG1  VAL   4          HG11      VAL   4  -6.016   4.057  -4.573
   38   2HG1  VAL   4          HG12      VAL   4  -6.127   2.325  -4.885
   39   3HG1  VAL   4          HG13      VAL   4  -7.529   3.360  -5.151
   40   1HG2  VAL   4          HG21      VAL   4  -6.923   4.136  -8.484
   41   2HG2  VAL   4          HG22      VAL   4  -6.998   5.345  -7.203
   42   3HG2  VAL   4          HG23      VAL   4  -8.051   3.931  -7.144
   43    H    PHE   5           HN       PHE   5  -2.779   3.205  -7.869
   44    HA   PHE   5           HA       PHE   5  -1.887   1.173  -6.354
   45   1HB   PHE   5          HB2       PHE   5  -1.108   1.823  -8.628
   46   2HB   PHE   5          HB1       PHE   5  -0.172   3.118  -7.899
   47    HD1  PHE   5           HD1      PHE   5   2.058   2.602  -8.174
   48    HD2  PHE   5           HD2      PHE   5  -0.624  -0.446  -6.896
   49    HE1  PHE   5           HE1      PHE   5   3.955   1.064  -7.874
   50    HE2  PHE   5           HE2      PHE   5   1.269  -1.989  -6.593
   51    HZ   PHE   5           HZ       PHE   5   3.562  -1.234  -7.082
   52    H    LYS   6           HN       LYS   6  -1.455   4.512  -5.768
   53    HA   LYS   6           HA       LYS   6   0.689   4.352  -3.924
   54   1HB   LYS   6          HB2       LYS   6  -0.713   6.405  -5.128
   55   2HB   LYS   6          HB1       LYS   6  -1.207   6.534  -3.445
   56   1HG   LYS   6          HG2       LYS   6   0.633   7.784  -3.232
   57   2HG   LYS   6          HG1       LYS   6   1.476   6.235  -3.179
   58   1HD   LYS   6          HD2       LYS   6   1.234   6.687  -5.874
   59   2HD   LYS   6          HD1       LYS   6   1.486   8.313  -5.236
   60   1HE   LYS   6          HE2       LYS   6   3.553   7.734  -4.282
   61   2HE   LYS   6          HE1       LYS   6   3.233   6.007  -4.432
   62   1HZ   LYS   6          HZ1       LYS   6   3.894   7.928  -6.586
   63   2HZ   LYS   6          HZ2       LYS   6   3.258   6.394  -6.905
   64   3HZ   LYS   6          HZ3       LYS   6   4.750   6.544  -6.124
   65    H    ARG   7           HN       ARG   7  -2.831   4.315  -3.578
   66    HA   ARG   7           HA       ARG   7  -2.920   4.319  -0.768
   67   1HB   ARG   7          HB2       ARG   7  -4.787   3.393  -2.922
   68   2HB   ARG   7          HB1       ARG   7  -5.138   2.995  -1.245
   69   1HG   ARG   7          HG2       ARG   7  -4.531   5.717  -1.235
   70   2HG   ARG   7          HG1       ARG   7  -5.530   5.466  -2.668
   71   1HD   ARG   7          HD2       ARG   7  -6.730   3.970  -0.620
   72   2HD   ARG   7          HD1       ARG   7  -6.290   5.515   0.106
   73    HE   ARG   7           HE       ARG   7  -7.481   6.222  -2.225
   74   1HH1  ARG   7          HH11      ARG   7  -8.434   4.196   0.452
   75   2HH1  ARG   7          HH12      ARG   7 -10.123   4.524   0.261
   76   1HH2  ARG   7          HH21      ARG   7  -9.703   6.654  -2.478
   77   2HH2  ARG   7          HH22      ARG   7 -10.845   5.919  -1.402
   78    H    LEU   8           HN       LEU   8  -2.347   1.793  -3.118
   79    HA   LEU   8           HA       LEU   8  -2.701  -0.435  -1.435
   80   1HB   LEU   8          HB2       LEU   8  -1.407   0.108  -4.033
   81   2HB   LEU   8          HB1       LEU   8  -0.777  -1.275  -3.159
   82    HG   LEU   8           HG       LEU   8  -3.685  -0.888  -3.867
   83   1HD1  LEU   8          HD11      LEU   8  -3.133  -2.852  -5.425
   84   2HD1  LEU   8          HD12      LEU   8  -1.455  -2.340  -5.244
   85   3HD1  LEU   8          HD13      LEU   8  -2.647  -1.231  -5.923
   86   1HD2  LEU   8          HD21      LEU   8  -2.558  -3.533  -3.199
   87   2HD2  LEU   8          HD22      LEU   8  -4.134  -2.838  -2.817
   88   3HD2  LEU   8          HD23      LEU   8  -2.719  -2.391  -1.865
   89    H    GLU   9           HN       GLU   9  -0.035   1.784  -1.928
   90    HA   GLU   9           HA       GLU   9   1.978   0.299  -0.637
   91   1HB   GLU   9          HB2       GLU   9   1.993   2.604  -1.996
   92   2HB   GLU   9          HB1       GLU   9   1.965   3.264  -0.366
   93   1HG   GLU   9          HG2       GLU   9   3.924   1.484  -0.056
   94   2HG   GLU   9          HG1       GLU   9   4.096   1.790  -1.784
   95    H    LYS  10           HN       LYS  10  -0.545   2.430   0.560
   96    HA   LYS  10           HA       LYS  10   0.398   2.630   3.219
   97   1HB   LYS  10          HB2       LYS  10  -1.764   3.641   1.751
   98   2HB   LYS  10          HB1       LYS  10  -2.498   2.688   3.034
   99   1HG   LYS  10          HG2       LYS  10  -2.329   4.832   3.924
  100   2HG   LYS  10          HG1       LYS  10  -0.961   3.963   4.623
  101   1HD   LYS  10          HD2       LYS  10   0.532   5.297   3.619
  102   2HD   LYS  10          HD1       LYS  10  -0.326   5.240   2.079
  103   1HE   LYS  10          HE2       LYS  10  -1.315   7.210   2.443
  104   2HE   LYS  10          HE1       LYS  10  -1.747   6.779   4.097
  105   1HZ   LYS  10          HZ1       LYS  10  -0.286   8.448   4.504
  106   2HZ   LYS  10          HZ2       LYS  10   0.614   8.181   3.097
  107   3HZ   LYS  10          HZ3       LYS  10   0.822   7.170   4.437
  108    H    LEU  11           HN       LEU  11  -1.943   0.454   1.663
  109    HA   LEU  11           HA       LEU  11  -2.457  -1.052   4.010
  110   1HB   LEU  11          HB2       LEU  11  -3.713  -0.898   1.670
  111   2HB   LEU  11          HB1       LEU  11  -2.724  -2.303   1.323
  112    HG   LEU  11           HG       LEU  11  -4.215  -2.385   3.874
  113   1HD1  LEU  11          HD11      LEU  11  -6.108  -1.652   2.880
  114   2HD1  LEU  11          HD12      LEU  11  -6.158  -3.311   2.284
  115   3HD1  LEU  11          HD13      LEU  11  -5.531  -2.023   1.255
  116   1HD2  LEU  11          HD21      LEU  11  -2.911  -4.280   3.233
  117   2HD2  LEU  11          HD22      LEU  11  -3.653  -4.318   1.633
  118   3HD2  LEU  11          HD23      LEU  11  -4.612  -4.712   3.060
  119    H    PHE  12           HN       PHE  12   0.132  -0.951   1.828
  120    HA   PHE  12           HA       PHE  12   1.066  -3.635   2.265
  121   1HB   PHE  12          HB2       PHE  12   1.606  -1.711   0.377
  122   2HB   PHE  12          HB1       PHE  12   3.046  -1.644   1.388
  123    HD1  PHE  12           HD1      PHE  12   4.565  -3.517   1.513
  124    HD2  PHE  12           HD2      PHE  12   1.071  -3.688  -0.909
  125    HE1  PHE  12           HE1      PHE  12   5.464  -5.497   0.363
  126    HE2  PHE  12           HE2      PHE  12   1.963  -5.669  -2.063
  127    HZ   PHE  12           HZ       PHE  12   4.162  -6.577  -1.427
  128    H    SER  13           HN       SER  13   1.514  -0.478   3.689
  129    HA   SER  13           HA       SER  13   3.818  -1.083   5.223
  130   1HB   SER  13          HB2       SER  13   1.684   1.028   5.377
  131   2HB   SER  13          HB1       SER  13   2.869   0.870   6.673
  132    HG   SER  13           HG       SER  13   3.580   2.341   5.096
  133    H    LYS  14           HN       LYS  14   0.383  -1.574   5.686
  134    HA   LYS  14           HA       LYS  14   0.471  -2.168   8.455
  135   1HB   LYS  14          HB2       LYS  14  -1.584  -1.638   7.032
  136   2HB   LYS  14          HB1       LYS  14  -1.511  -3.308   6.488
  137   1HG   LYS  14          HG2       LYS  14  -2.692  -3.905   8.259
  138   2HG   LYS  14          HG1       LYS  14  -1.364  -3.379   9.295
  139   1HD   LYS  14          HD2       LYS  14  -2.554  -1.005   8.688
  140   2HD   LYS  14          HD1       LYS  14  -3.942  -2.095   8.726
  141   1HE   LYS  14          HE2       LYS  14  -3.717  -1.272  10.923
  142   2HE   LYS  14          HE1       LYS  14  -3.064  -2.910  10.958
  143   1HZ   LYS  14          HZ1       LYS  14  -0.909  -2.136  11.127
  144   2HZ   LYS  14          HZ2       LYS  14  -1.755  -1.027  12.083
  145   3HZ   LYS  14          HZ3       LYS  14  -1.282  -0.603  10.516
  146    H    ILE  15           HN       ILE  15   0.997  -4.057   5.552
  147    HA   ILE  15           HA       ILE  15   0.941  -6.612   6.776
  148    HB   ILE  15           HB       ILE  15   2.505  -5.816   4.317
  149   1HG1  ILE  15          HG12      ILE  15  -0.359  -6.772   4.539
  150   2HG1  ILE  15          HG11      ILE  15   0.144  -5.137   4.124
  151   1HG2  ILE  15          HG21      ILE  15   1.858  -8.368   5.634
  152   2HG2  ILE  15          HG22      ILE  15   3.219  -7.934   4.599
  153   3HG2  ILE  15          HG23      ILE  15   1.659  -8.338   3.882
  154   1HD1  ILE  15          HD11      ILE  15   1.010  -7.487   2.488
  155   2HD1  ILE  15          HD12      ILE  15   0.935  -5.784   2.036
  156   3HD1  ILE  15          HD13      ILE  15  -0.553  -6.709   2.236
  157    H    TRP  16           HN       TRP  16   3.398  -4.150   6.401
  158    HA   TRP  16           HA       TRP  16   5.573  -5.813   7.214
  159   1HB   TRP  16          HB2       TRP  16   5.222  -3.110   6.293
  160   2HB   TRP  16          HB1       TRP  16   6.232  -3.117   7.735
  161    HD1  TRP  16           HD1      TRP  16   6.701  -3.080   4.219
  162    HE1  TRP  16           HE1      TRP  16   8.896  -4.212   3.492
  163    HE3  TRP  16           HE3      TRP  16   7.744  -5.661   8.507
  164    HZ2  TRP  16           HZ2      TRP  16  10.814  -5.968   4.591
  165    HZ3  TRP  16           HZ3      TRP  16   9.778  -7.044   8.587
  166    HH2  TRP  16           HH2      TRP  16  11.280  -7.193   6.668
  167    H    ASN  17           HN       ASN  17   3.062  -4.219   8.831
  168    HA   ASN  17           HA       ASN  17   4.447  -3.932  11.351
  169   1HB   ASN  17          HB2       ASN  17   1.610  -3.482  10.448
  170   2HB   ASN  17          HB1       ASN  17   2.036  -3.452  12.156
  171   1HD2  ASN  17          HD21      ASN  17   0.973  -1.272  10.781
  172   2HD2  ASN  17          HD22      ASN  17   2.163  -0.021  10.730
  173    H    ASP  18           HN       ASP  18   2.313  -6.207   9.773
  174    HA   ASP  18           HA       ASP  18   1.917  -7.771  12.179
  175   1HB   ASP  18          HB2       ASP  18   1.019  -8.042   9.321
  176   2HB   ASP  18          HB1       ASP  18   0.823  -9.370  10.461
  177    H    LYS  19           HN       LYS  19   3.985  -7.759   9.375
  178    HA   LYS  19           HA       LYS  19   4.907 -10.445   9.636
  179   1HB   LYS  19          HB2       LYS  19   5.466  -8.137   7.937
  180   2HB   LYS  19          HB1       LYS  19   6.912  -9.063   8.315
  181   1HG   LYS  19          HG2       LYS  19   4.477 -10.511   7.403
  182   2HG   LYS  19          HG1       LYS  19   5.450  -9.633   6.221
  183   1HD   LYS  19          HD2       LYS  19   7.405 -10.928   7.507
  184   2HD   LYS  19          HD1       LYS  19   6.087 -12.069   7.781
  185   1HE   LYS  19          HE2       LYS  19   5.679 -12.218   5.398
  186   2HE   LYS  19          HE1       LYS  19   6.913 -10.998   5.085
  187   1HZ   LYS  19          HZ1       LYS  19   8.570 -12.473   5.373
  188   2HZ   LYS  19          HZ2       LYS  19   7.379 -13.608   4.982
  189   3HZ   LYS  19          HZ3       LYS  19   7.774 -13.322   6.601
  190   1HN   NH2  20          NH1       NH2  20   5.990  -7.331  10.828
  191   2HN   NH2  20          NH2       NH2  20   7.238  -7.936  11.859
  Start of MODEL   17
    1   1H    ALA   1          HT1       ALA   1  -7.527   9.843 -13.653
    2   2H    ALA   1          HT2       ALA   1  -7.735   8.149 -13.832
    3   3H    ALA   1          HT3       ALA   1  -6.184   8.853 -14.047
    4    HA   ALA   1           HA       ALA   1  -5.912   9.282 -11.844
    5   1HB   ALA   1          HB1       ALA   1  -8.808   8.621 -11.352
    6   2HB   ALA   1          HB2       ALA   1  -8.204  10.260 -11.594
    7   3HB   ALA   1          HB3       ALA   1  -7.649   9.311 -10.215
    8    H    LYS   2           HN       LYS   2  -5.058   7.174 -13.081
    9    HA   LYS   2           HA       LYS   2  -6.094   4.783 -11.741
   10   1HB   LYS   2          HB2       LYS   2  -5.224   5.233 -14.350
   11   2HB   LYS   2          HB1       LYS   2  -3.915   4.322 -13.609
   12   1HG   LYS   2          HG2       LYS   2  -5.267   2.478 -13.190
   13   2HG   LYS   2          HG1       LYS   2  -6.755   3.413 -13.352
   14   1HD   LYS   2          HD2       LYS   2  -5.626   3.749 -15.809
   15   2HD   LYS   2          HD1       LYS   2  -5.109   2.111 -15.403
   16   1HE   LYS   2          HE2       LYS   2  -7.377   1.415 -15.059
   17   2HE   LYS   2          HE1       LYS   2  -7.960   3.071 -15.227
   18   1HZ   LYS   2          HZ1       LYS   2  -8.355   2.345 -17.316
   19   2HZ   LYS   2          HZ2       LYS   2  -7.134   1.175 -17.281
   20   3HZ   LYS   2          HZ3       LYS   2  -6.741   2.798 -17.547
   21    H    LYS   3           HN       LYS   3  -4.539   6.792 -10.323
   22    HA   LYS   3           HA       LYS   3  -2.028   5.344  -9.801
   23   1HB   LYS   3          HB2       LYS   3  -2.097   7.879 -10.291
   24   2HB   LYS   3          HB1       LYS   3  -2.759   8.041  -8.670
   25   1HG   LYS   3          HG2       LYS   3  -0.766   7.774  -7.716
   26   2HG   LYS   3          HG1       LYS   3  -0.366   6.393  -8.739
   27   1HD   LYS   3          HD2       LYS   3   1.227   8.100  -9.206
   28   2HD   LYS   3          HD1       LYS   3   0.126   8.027 -10.582
   29   1HE   LYS   3          HE2       LYS   3  -0.676  10.096 -10.209
   30   2HE   LYS   3          HE1       LYS   3  -0.680   9.886  -8.458
   31   1HZ   LYS   3          HZ1       LYS   3   1.406  10.942 -10.198
   32   2HZ   LYS   3          HZ2       LYS   3   1.919  10.012  -8.883
   33   3HZ   LYS   3          HZ3       LYS   3   0.978  11.392  -8.624
   34    H    VAL   4           HN       VAL   4  -4.416   4.212  -8.933
   35    HA   VAL   4           HA       VAL   4  -4.880   4.731  -6.165
   36    HB   VAL   4           HB       VAL   4  -6.539   3.500  -7.494
   37   1HG1  VAL   4          HG11      VAL   4  -5.735   0.932  -7.754
   38   2HG1  VAL   4          HG12      VAL   4  -4.220   1.782  -8.056
   39   3HG1  VAL   4          HG13      VAL   4  -5.640   2.135  -9.040
   40   1HG2  VAL   4          HG21      VAL   4  -7.242   2.261  -5.747
   41   2HG2  VAL   4          HG22      VAL   4  -5.855   2.984  -4.932
   42   3HG2  VAL   4          HG23      VAL   4  -5.724   1.370  -5.632
   43    H    PHE   5           HN       PHE   5  -2.397   3.436  -7.947
   44    HA   PHE   5           HA       PHE   5  -1.237   1.393  -6.650
   45   1HB   PHE   5          HB2       PHE   5  -0.428   2.546  -8.706
   46   2HB   PHE   5          HB1       PHE   5   0.173   3.848  -7.693
   47    HD1  PHE   5           HD1      PHE   5   2.477   3.785  -7.894
   48    HD2  PHE   5           HD2      PHE   5   0.356   0.163  -7.192
   49    HE1  PHE   5           HE1      PHE   5   4.612   2.593  -7.620
   50    HE2  PHE   5           HE2      PHE   5   2.487  -1.036  -6.916
   51    HZ   PHE   5           HZ       PHE   5   4.618   0.179  -7.129
   52    H    LYS   6           HN       LYS   6  -1.526   4.615  -5.550
   53    HA   LYS   6           HA       LYS   6   0.447   4.559  -3.520
   54   1HB   LYS   6          HB2       LYS   6  -0.680   6.621  -4.490
   55   2HB   LYS   6          HB1       LYS   6  -2.073   6.224  -3.493
   56   1HG   LYS   6          HG2       LYS   6  -0.254   6.196  -1.581
   57   2HG   LYS   6          HG1       LYS   6   0.595   7.257  -2.707
   58   1HD   LYS   6          HD2       LYS   6  -1.707   8.490  -2.824
   59   2HD   LYS   6          HD1       LYS   6  -1.997   7.681  -1.282
   60   1HE   LYS   6          HE2       LYS   6  -1.069   9.688  -0.610
   61   2HE   LYS   6          HE1       LYS   6   0.336   8.623  -0.644
   62   1HZ   LYS   6          HZ1       LYS   6   0.555  10.899  -1.723
   63   2HZ   LYS   6          HZ2       LYS   6  -0.396  10.281  -2.978
   64   3HZ   LYS   6          HZ3       LYS   6   1.095   9.567  -2.617
   65    H    ARG   7           HN       ARG   7  -3.025   3.869  -3.555
   66    HA   ARG   7           HA       ARG   7  -3.296   3.382  -0.794
   67   1HB   ARG   7          HB2       ARG   7  -4.860   2.501  -3.208
   68   2HB   ARG   7          HB1       ARG   7  -5.277   1.932  -1.596
   69   1HG   ARG   7          HG2       ARG   7  -5.087   4.842  -2.335
   70   2HG   ARG   7          HG1       ARG   7  -6.582   3.906  -2.398
   71   1HD   ARG   7          HD2       ARG   7  -5.100   3.696   0.127
   72   2HD   ARG   7          HD1       ARG   7  -5.717   5.308  -0.234
   73    HE   ARG   7           HE       ARG   7  -7.662   3.217  -0.571
   74   1HH1  ARG   7          HH11      ARG   7  -6.197   5.426   1.699
   75   2HH1  ARG   7          HH12      ARG   7  -7.551   5.413   2.777
   76   1HH2  ARG   7          HH21      ARG   7  -9.446   3.202   0.845
   77   2HH2  ARG   7          HH22      ARG   7  -9.396   4.152   2.293
   78    H    LEU   8           HN       LEU   8  -2.283   1.383  -3.493
   79    HA   LEU   8           HA       LEU   8  -2.348  -1.105  -2.153
   80   1HB   LEU   8          HB2       LEU   8  -1.906  -0.339  -4.714
   81   2HB   LEU   8          HB1       LEU   8  -0.265  -0.693  -4.209
   82    HG   LEU   8           HG       LEU   8  -1.018  -2.967  -3.522
   83   1HD1  LEU   8          HD11      LEU   8  -3.363  -2.509  -3.143
   84   2HD1  LEU   8          HD12      LEU   8  -3.185  -3.765  -4.368
   85   3HD1  LEU   8          HD13      LEU   8  -3.588  -2.116  -4.847
   86   1HD2  LEU   8          HD21      LEU   8  -1.829  -2.782  -6.351
   87   2HD2  LEU   8          HD22      LEU   8  -0.598  -3.785  -5.583
   88   3HD2  LEU   8          HD23      LEU   8  -0.257  -2.093  -5.946
   89    H    GLU   9           HN       GLU   9   0.083   1.428  -2.442
   90    HA   GLU   9           HA       GLU   9   2.182  -0.029  -1.199
   91   1HB   GLU   9          HB2       GLU   9   1.702   2.753  -2.047
   92   2HB   GLU   9          HB1       GLU   9   2.790   2.584  -0.677
   93   1HG   GLU   9          HG2       GLU   9   4.292   1.240  -1.924
   94   2HG   GLU   9          HG1       GLU   9   3.138   1.067  -3.246
   95    H    LYS  10           HN       LYS  10  -0.504   1.864  -0.039
   96    HA   LYS  10           HA       LYS  10   0.430   2.176   2.632
   97   1HB   LYS  10          HB2       LYS  10  -2.369   2.259   1.487
   98   2HB   LYS  10          HB1       LYS  10  -1.954   2.711   3.135
   99   1HG   LYS  10          HG2       LYS  10  -0.224   4.224   1.627
  100   2HG   LYS  10          HG1       LYS  10  -1.702   4.218   0.663
  101   1HD   LYS  10          HD2       LYS  10  -2.225   5.967   2.004
  102   2HD   LYS  10          HD1       LYS  10  -2.754   4.678   3.088
  103   1HE   LYS  10          HE2       LYS  10   0.091   5.525   3.209
  104   2HE   LYS  10          HE1       LYS  10  -1.122   6.612   3.885
  105   1HZ   LYS  10          HZ1       LYS  10  -0.518   5.267   5.657
  106   2HZ   LYS  10          HZ2       LYS  10  -0.443   3.863   4.718
  107   3HZ   LYS  10          HZ3       LYS  10  -1.943   4.539   5.107
  108    H    LEU  11           HN       LEU  11  -1.528  -0.218   0.940
  109    HA   LEU  11           HA       LEU  11  -2.207  -1.699   3.269
  110   1HB   LEU  11          HB2       LEU  11  -2.098  -2.691   0.425
  111   2HB   LEU  11          HB1       LEU  11  -2.987  -3.414   1.752
  112    HG   LEU  11           HG       LEU  11  -3.647  -0.607   1.022
  113   1HD1  LEU  11          HD11      LEU  11  -5.099  -2.684  -0.480
  114   2HD1  LEU  11          HD12      LEU  11  -3.462  -2.332  -1.033
  115   3HD1  LEU  11          HD13      LEU  11  -4.660  -1.041  -0.944
  116   1HD2  LEU  11          HD21      LEU  11  -5.686  -2.687   1.483
  117   2HD2  LEU  11          HD22      LEU  11  -5.586  -1.036   2.095
  118   3HD2  LEU  11          HD23      LEU  11  -4.632  -2.315   2.847
  119    H    PHE  12           HN       PHE  12   0.579  -1.488   1.325
  120    HA   PHE  12           HA       PHE  12   1.658  -4.062   2.030
  121   1HB   PHE  12          HB2       PHE  12   2.208  -2.519  -0.038
  122   2HB   PHE  12          HB1       PHE  12   3.368  -1.796   1.071
  123    HD1  PHE  12           HD1      PHE  12   5.445  -2.781   1.418
  124    HD2  PHE  12           HD2      PHE  12   2.334  -5.039  -0.407
  125    HE1  PHE  12           HE1      PHE  12   7.049  -4.579   0.917
  126    HE2  PHE  12           HE2      PHE  12   3.932  -6.841  -0.910
  127    HZ   PHE  12           HZ       PHE  12   6.293  -6.612  -0.248
  128    H    SER  13           HN       SER  13   1.834  -0.772   3.207
  129    HA   SER  13           HA       SER  13   3.997  -1.172   5.004
  130   1HB   SER  13          HB2       SER  13   3.169   1.071   4.209
  131   2HB   SER  13          HB1       SER  13   1.763   0.857   5.251
  132    HG   SER  13           HG       SER  13   4.157   1.781   5.907
  133    H    LYS  14           HN       LYS  14   0.560  -1.748   5.133
  134    HA   LYS  14           HA       LYS  14   0.334  -2.040   7.944
  135   1HB   LYS  14          HB2       LYS  14  -1.337  -3.286   5.750
  136   2HB   LYS  14          HB1       LYS  14  -1.784  -3.189   7.447
  137   1HG   LYS  14          HG2       LYS  14  -1.395  -0.606   7.022
  138   2HG   LYS  14          HG1       LYS  14  -1.765  -1.082   5.364
  139   1HD   LYS  14          HD2       LYS  14  -3.844  -2.155   6.191
  140   2HD   LYS  14          HD1       LYS  14  -3.484  -1.534   7.802
  141   1HE   LYS  14          HE2       LYS  14  -4.085   0.575   7.267
  142   2HE   LYS  14          HE1       LYS  14  -3.438   0.455   5.632
  143   1HZ   LYS  14          HZ1       LYS  14  -5.423  -1.034   5.178
  144   2HZ   LYS  14          HZ2       LYS  14  -5.737   0.617   5.368
  145   3HZ   LYS  14          HZ3       LYS  14  -6.066  -0.457   6.632
  146    H    ILE  15           HN       ILE  15   1.302  -4.172   5.342
  147    HA   ILE  15           HA       ILE  15   1.149  -6.606   6.779
  148    HB   ILE  15           HB       ILE  15   3.051  -5.958   4.523
  149   1HG1  ILE  15          HG12      ILE  15   0.207  -6.989   4.411
  150   2HG1  ILE  15          HG11      ILE  15   0.751  -5.399   3.886
  151   1HG2  ILE  15          HG21      ILE  15   1.881  -8.643   4.807
  152   2HG2  ILE  15          HG22      ILE  15   3.015  -8.170   6.072
  153   3HG2  ILE  15          HG23      ILE  15   3.522  -8.156   4.383
  154   1HD1  ILE  15          HD11      ILE  15   2.062  -6.392   2.123
  155   2HD1  ILE  15          HD12      ILE  15   0.392  -6.952   2.023
  156   3HD1  ILE  15          HD13      ILE  15   1.639  -8.009   2.684
  157    H    TRP  16           HN       TRP  16   3.605  -4.112   6.495
  158    HA   TRP  16           HA       TRP  16   5.643  -5.608   7.821
  159   1HB   TRP  16          HB2       TRP  16   6.057  -3.672   6.260
  160   2HB   TRP  16          HB1       TRP  16   5.477  -2.605   7.535
  161    HD1  TRP  16           HD1      TRP  16   7.504  -1.452   8.576
  162    HE1  TRP  16           HE1      TRP  16   9.849  -2.178   9.350
  163    HE3  TRP  16           HE3      TRP  16   7.363  -6.349   7.114
  164    HZ2  TRP  16           HZ2      TRP  16  11.430  -4.517   9.342
  165    HZ3  TRP  16           HZ3      TRP  16   9.333  -7.763   7.534
  166    HH2  TRP  16           HH2      TRP  16  11.324  -6.864   8.624
  167    H    ASN  17           HN       ASN  17   2.883  -3.963   8.855
  168    HA   ASN  17           HA       ASN  17   3.876  -3.344  11.503
  169   1HB   ASN  17          HB2       ASN  17   1.576  -2.628   9.910
  170   2HB   ASN  17          HB1       ASN  17   1.061  -3.195  11.496
  171   1HD2  ASN  17          HD21      ASN  17   0.865  -1.656  12.933
  172   2HD2  ASN  17          HD22      ASN  17   1.785  -0.196  13.005
  173    H    ASP  18           HN       ASP  18   2.032  -5.832   9.884
  174    HA   ASP  18           HA       ASP  18   1.284  -7.134  12.361
  175   1HB   ASP  18          HB2       ASP  18   0.167  -7.099   9.862
  176   2HB   ASP  18          HB1       ASP  18   0.994  -8.654   9.857
  177    H    LYS  19           HN       LYS  19   3.782  -7.348   9.948
  178    HA   LYS  19           HA       LYS  19   4.670  -9.973  10.555
  179   1HB   LYS  19          HB2       LYS  19   5.563  -7.729   8.908
  180   2HB   LYS  19          HB1       LYS  19   6.898  -8.635   9.610
  181   1HG   LYS  19          HG2       LYS  19   6.486 -10.476   8.366
  182   2HG   LYS  19          HG1       LYS  19   4.740 -10.221   8.367
  183   1HD   LYS  19          HD2       LYS  19   4.792  -8.980   6.481
  184   2HD   LYS  19          HD1       LYS  19   6.312  -8.197   6.917
  185   1HE   LYS  19          HE2       LYS  19   7.585 -10.047   6.157
  186   2HE   LYS  19          HE1       LYS  19   6.151 -11.061   6.011
  187   1HZ   LYS  19          HZ1       LYS  19   6.305  -8.594   4.431
  188   2HZ   LYS  19          HZ2       LYS  19   5.517 -10.048   4.078
  189   3HZ   LYS  19          HZ3       LYS  19   7.198  -9.939   3.924
  190   1HN   NH2  20          NH1       NH2  20   5.643 -10.659  12.318
  191   2HN   NH2  20          NH2       NH2  20   6.586  -9.708  13.410
  Start of MODEL   18
    1   1H    ALA   1          HT1       ALA   1  -9.674   5.626 -10.512
    2   2H    ALA   1          HT2       ALA   1  -9.454   4.624 -11.887
    3   3H    ALA   1          HT3       ALA   1  -8.775   6.200 -11.854
    4    HA   ALA   1           HA       ALA   1  -7.549   5.401  -9.816
    5   1HB   ALA   1          HB1       ALA   1  -8.606   3.360  -9.354
    6   2HB   ALA   1          HB2       ALA   1  -7.054   2.911 -10.060
    7   3HB   ALA   1          HB3       ALA   1  -8.521   2.836 -11.036
    8    H    LYS   2           HN       LYS   2  -6.437   6.861 -11.328
    9    HA   LYS   2           HA       LYS   2  -5.031   5.577 -13.527
   10   1HB   LYS   2          HB2       LYS   2  -6.084   8.010 -13.412
   11   2HB   LYS   2          HB1       LYS   2  -4.503   8.404 -12.751
   12   1HG   LYS   2          HG2       LYS   2  -3.403   7.672 -14.727
   13   2HG   LYS   2          HG1       LYS   2  -4.893   6.976 -15.367
   14   1HD   LYS   2          HD2       LYS   2  -4.503   9.060 -16.483
   15   2HD   LYS   2          HD1       LYS   2  -5.872   9.270 -15.389
   16   1HE   LYS   2          HE2       LYS   2  -3.152   9.903 -14.371
   17   2HE   LYS   2          HE1       LYS   2  -3.892  11.026 -15.511
   18   1HZ   LYS   2          HZ1       LYS   2  -4.274  11.148 -12.891
   19   2HZ   LYS   2          HZ2       LYS   2  -5.572  10.148 -13.308
   20   3HZ   LYS   2          HZ3       LYS   2  -5.423  11.678 -14.014
   21    H    LYS   3           HN       LYS   3  -4.533   6.058 -10.259
   22    HA   LYS   3           HA       LYS   3  -1.949   4.964 -10.256
   23   1HB   LYS   3          HB2       LYS   3  -1.547   7.372 -11.128
   24   2HB   LYS   3          HB1       LYS   3  -1.878   7.872  -9.476
   25   1HG   LYS   3          HG2       LYS   3  -0.065   6.157  -8.830
   26   2HG   LYS   3          HG1       LYS   3   0.395   6.242 -10.532
   27   1HD   LYS   3          HD2       LYS   3   0.131   8.891  -9.824
   28   2HD   LYS   3          HD1       LYS   3   0.825   8.159  -8.376
   29   1HE   LYS   3          HE2       LYS   3   1.926   8.078 -11.179
   30   2HE   LYS   3          HE1       LYS   3   2.618   8.899  -9.782
   31   1HZ   LYS   3          HZ1       LYS   3   2.287   6.208  -9.113
   32   2HZ   LYS   3          HZ2       LYS   3   3.734   7.060  -9.321
   33   3HZ   LYS   3          HZ3       LYS   3   3.030   6.258 -10.633
   34    H    VAL   4           HN       VAL   4  -4.376   4.568  -8.949
   35    HA   VAL   4           HA       VAL   4  -4.292   5.533  -6.265
   36    HB   VAL   4           HB       VAL   4  -5.528   2.951  -7.254
   37   1HG1  VAL   4          HG11      VAL   4  -5.412   2.902  -4.895
   38   2HG1  VAL   4          HG12      VAL   4  -7.065   3.373  -5.290
   39   3HG1  VAL   4          HG13      VAL   4  -5.903   4.591  -4.761
   40   1HG2  VAL   4          HG21      VAL   4  -6.207   5.258  -8.323
   41   2HG2  VAL   4          HG22      VAL   4  -7.125   5.428  -6.827
   42   3HG2  VAL   4          HG23      VAL   4  -7.428   4.059  -7.897
   43    H    PHE   5           HN       PHE   5  -2.451   3.460  -8.089
   44    HA   PHE   5           HA       PHE   5  -1.604   1.375  -6.628
   45   1HB   PHE   5          HB2       PHE   5  -0.868   2.027  -8.917
   46   2HB   PHE   5          HB1       PHE   5   0.154   3.260  -8.197
   47    HD1  PHE   5           HD1      PHE   5   2.334   2.754  -7.570
   48    HD2  PHE   5           HD2      PHE   5  -0.435  -0.411  -8.217
   49    HE1  PHE   5           HE1      PHE   5   4.159   1.118  -7.351
   50    HE2  PHE   5           HE2      PHE   5   1.384  -2.053  -7.999
   51    HZ   PHE   5           HZ       PHE   5   3.685  -1.289  -7.565
   52    H    LYS   6           HN       LYS   6  -0.993   4.681  -6.013
   53    HA   LYS   6           HA       LYS   6   1.191   4.382  -4.228
   54   1HB   LYS   6          HB2       LYS   6   0.342   6.525  -5.402
   55   2HB   LYS   6          HB1       LYS   6  -0.809   6.628  -4.077
   56   1HG   LYS   6          HG2       LYS   6   1.672   6.210  -2.866
   57   2HG   LYS   6          HG1       LYS   6   1.966   7.377  -4.157
   58   1HD   LYS   6          HD2       LYS   6   0.389   8.896  -3.280
   59   2HD   LYS   6          HD1       LYS   6  -0.305   7.677  -2.209
   60   1HE   LYS   6          HE2       LYS   6   1.294   7.956  -0.640
   61   2HE   LYS   6          HE1       LYS   6   2.566   8.212  -1.834
   62   1HZ   LYS   6          HZ1       LYS   6   1.607  10.141  -0.288
   63   2HZ   LYS   6          HZ2       LYS   6   0.575  10.318  -1.615
   64   3HZ   LYS   6          HZ3       LYS   6   2.249  10.428  -1.827
   65    H    ARG   7           HN       ARG   7  -2.313   4.584  -3.784
   66    HA   ARG   7           HA       ARG   7  -2.314   4.536  -0.971
   67   1HB   ARG   7          HB2       ARG   7  -4.321   3.819  -3.079
   68   2HB   ARG   7          HB1       ARG   7  -4.651   3.426  -1.397
   69   1HG   ARG   7          HG2       ARG   7  -3.961   6.192  -2.351
   70   2HG   ARG   7          HG1       ARG   7  -5.612   5.590  -2.194
   71   1HD   ARG   7          HD2       ARG   7  -4.926   5.007   0.224
   72   2HD   ARG   7          HD1       ARG   7  -3.578   6.108  -0.054
   73    HE   ARG   7           HE       ARG   7  -5.741   7.560  -0.798
   74   1HH1  ARG   7          HH11      ARG   7  -4.928   5.776   2.089
   75   2HH1  ARG   7          HH12      ARG   7  -5.841   6.810   3.135
   76   1HH2  ARG   7          HH21      ARG   7  -6.942   8.921   0.576
   77   2HH2  ARG   7          HH22      ARG   7  -6.985   8.595   2.277
   78    H    LEU   8           HN       LEU   8  -2.007   2.040  -3.394
   79    HA   LEU   8           HA       LEU   8  -2.508  -0.195  -1.749
   80   1HB   LEU   8          HB2       LEU   8  -2.121   0.107  -4.379
   81   2HB   LEU   8          HB1       LEU   8  -0.505  -0.406  -3.933
   82    HG   LEU   8           HG       LEU   8  -1.569  -2.420  -2.828
   83   1HD1  LEU   8          HD11      LEU   8  -3.967  -1.575  -4.444
   84   2HD1  LEU   8          HD12      LEU   8  -3.842  -1.437  -2.690
   85   3HD1  LEU   8          HD13      LEU   8  -3.805  -3.026  -3.454
   86   1HD2  LEU   8          HD21      LEU   8  -1.406  -1.850  -5.727
   87   2HD2  LEU   8          HD22      LEU   8  -2.240  -3.329  -5.247
   88   3HD2  LEU   8          HD23      LEU   8  -0.567  -3.061  -4.757
   89    H    GLU   9           HN       GLU   9   0.348   1.763  -2.338
   90    HA   GLU   9           HA       GLU   9   2.225   0.045  -1.109
   91   1HB   GLU   9          HB2       GLU   9   2.159   2.803  -2.085
   92   2HB   GLU   9          HB1       GLU   9   3.199   2.597  -0.682
   93   1HG   GLU   9          HG2       GLU   9   3.708   0.459  -2.473
   94   2HG   GLU   9          HG1       GLU   9   3.725   1.963  -3.391
   95    H    LYS  10           HN       LYS  10   0.020   2.473   0.129
   96    HA   LYS  10           HA       LYS  10   1.115   2.617   2.743
   97   1HB   LYS  10          HB2       LYS  10  -1.467   3.413   1.469
   98   2HB   LYS  10          HB1       LYS  10  -1.394   3.335   3.224
   99   1HG   LYS  10          HG2       LYS  10   0.863   4.749   2.632
  100   2HG   LYS  10          HG1       LYS  10  -0.253   5.290   1.377
  101   1HD   LYS  10          HD2       LYS  10  -1.816   5.315   3.641
  102   2HD   LYS  10          HD1       LYS  10  -0.243   5.841   4.243
  103   1HE   LYS  10          HE2       LYS  10  -1.742   7.047   1.918
  104   2HE   LYS  10          HE1       LYS  10  -1.620   7.737   3.536
  105   1HZ   LYS  10          HZ1       LYS  10  -0.041   8.596   1.749
  106   2HZ   LYS  10          HZ2       LYS  10   0.795   7.138   1.945
  107   3HZ   LYS  10          HZ3       LYS  10   0.626   8.198   3.252
  108    H    LEU  11           HN       LEU  11  -1.429   0.658   1.260
  109    HA   LEU  11           HA       LEU  11  -2.167  -0.667   3.657
  110   1HB   LEU  11          HB2       LEU  11  -2.873  -0.790   0.849
  111   2HB   LEU  11          HB1       LEU  11  -2.760  -2.395   1.545
  112    HG   LEU  11           HG       LEU  11  -4.384  -0.252   2.880
  113   1HD1  LEU  11          HD11      LEU  11  -4.911  -0.876   0.330
  114   2HD1  LEU  11          HD12      LEU  11  -6.165  -0.518   1.517
  115   3HD1  LEU  11          HD13      LEU  11  -5.765  -2.193   1.136
  116   1HD2  LEU  11          HD21      LEU  11  -4.008  -3.175   3.114
  117   2HD2  LEU  11          HD22      LEU  11  -5.650  -2.567   3.327
  118   3HD2  LEU  11          HD23      LEU  11  -4.348  -1.969   4.355
  119    H    PHE  12           HN       PHE  12   0.460  -0.967   1.528
  120    HA   PHE  12           HA       PHE  12   1.081  -3.708   2.122
  121   1HB   PHE  12          HB2       PHE  12   1.958  -1.805   0.246
  122   2HB   PHE  12          HB1       PHE  12   3.366  -2.161   1.241
  123    HD1  PHE  12           HD1      PHE  12   4.402  -4.326   1.202
  124    HD2  PHE  12           HD2      PHE  12   0.904  -3.543  -1.094
  125    HE1  PHE  12           HE1      PHE  12   4.773  -6.402  -0.065
  126    HE2  PHE  12           HE2      PHE  12   1.269  -5.618  -2.364
  127    HZ   PHE  12           HZ       PHE  12   3.206  -7.051  -1.850
  128    H    SER  13           HN       SER  13   1.873  -0.557   3.411
  129    HA   SER  13           HA       SER  13   4.044  -1.367   5.043
  130   1HB   SER  13          HB2       SER  13   3.291   1.030   4.373
  131   2HB   SER  13          HB1       SER  13   2.202   0.904   5.755
  132    HG   SER  13           HG       SER  13   4.508   1.773   5.987
  133    H    LYS  14           HN       LYS  14   0.566  -1.406   5.415
  134    HA   LYS  14           HA       LYS  14   0.494  -1.853   8.209
  135   1HB   LYS  14          HB2       LYS  14  -1.406  -1.284   6.435
  136   2HB   LYS  14          HB1       LYS  14  -1.599  -3.032   6.440
  137   1HG   LYS  14          HG2       LYS  14  -1.665  -2.733   9.030
  138   2HG   LYS  14          HG1       LYS  14  -2.082  -1.066   8.626
  139   1HD   LYS  14          HD2       LYS  14  -4.075  -1.672   7.617
  140   2HD   LYS  14          HD1       LYS  14  -3.537  -3.325   7.315
  141   1HE   LYS  14          HE2       LYS  14  -3.494  -3.505   9.906
  142   2HE   LYS  14          HE1       LYS  14  -4.548  -2.093   9.847
  143   1HZ   LYS  14          HZ1       LYS  14  -5.271  -4.303   8.102
  144   2HZ   LYS  14          HZ2       LYS  14  -6.255  -3.293   9.036
  145   3HZ   LYS  14          HZ3       LYS  14  -5.444  -4.587   9.762
  146    H    ILE  15           HN       ILE  15   0.846  -3.966   5.426
  147    HA   ILE  15           HA       ILE  15   0.465  -6.416   6.787
  148    HB   ILE  15           HB       ILE  15   2.197  -5.955   4.354
  149   1HG1  ILE  15          HG12      ILE  15  -0.770  -6.536   4.521
  150   2HG1  ILE  15          HG11      ILE  15  -0.046  -5.015   4.007
  151   1HG2  ILE  15          HG21      ILE  15   1.381  -8.335   3.878
  152   2HG2  ILE  15          HG22      ILE  15   0.925  -8.378   5.581
  153   3HG2  ILE  15          HG23      ILE  15   2.609  -8.122   5.125
  154   1HD1  ILE  15          HD11      ILE  15  -0.507  -5.962   1.989
  155   2HD1  ILE  15          HD12      ILE  15  -0.245  -7.605   2.573
  156   3HD1  ILE  15          HD13      ILE  15   1.134  -6.557   2.239
  157    H    TRP  16           HN       TRP  16   3.209  -4.285   6.374
  158    HA   TRP  16           HA       TRP  16   5.146  -6.134   7.362
  159   1HB   TRP  16          HB2       TRP  16   5.388  -3.863   5.970
  160   2HB   TRP  16          HB1       TRP  16   5.628  -3.209   7.587
  161    HD1  TRP  16           HD1      TRP  16   7.336  -5.277   4.919
  162    HE1  TRP  16           HE1      TRP  16   9.756  -5.768   5.646
  163    HE3  TRP  16           HE3      TRP  16   7.088  -3.611   9.747
  164    HZ2  TRP  16           HZ2      TRP  16  11.349  -5.486   7.959
  165    HZ3  TRP  16           HZ3      TRP  16   9.104  -3.758  11.150
  166    HH2  TRP  16           HH2      TRP  16  11.189  -4.677  10.273
  167    H    ASN  17           HN       ASN  17   2.764  -4.209   8.795
  168    HA   ASN  17           HA       ASN  17   4.076  -3.923  11.352
  169   1HB   ASN  17          HB2       ASN  17   2.000  -2.597  10.097
  170   2HB   ASN  17          HB1       ASN  17   1.172  -3.553  11.323
  171   1HD2  ASN  17          HD21      ASN  17   2.959  -3.566  13.365
  172   2HD2  ASN  17          HD22      ASN  17   3.196  -1.960  13.957
  173    H    ASP  18           HN       ASP  18   1.862  -6.114   9.788
  174    HA   ASP  18           HA       ASP  18   1.145  -7.464  12.243
  175   1HB   ASP  18          HB2       ASP  18   0.388  -7.668   9.381
  176   2HB   ASP  18          HB1       ASP  18   0.269  -9.146  10.332
  177    H    LYS  19           HN       LYS  19   3.460  -7.815   9.660
  178    HA   LYS  19           HA       LYS  19   4.202 -10.503  10.439
  179   1HB   LYS  19          HB2       LYS  19   4.999  -8.603   8.286
  180   2HB   LYS  19          HB1       LYS  19   6.141  -9.862   8.735
  181   1HG   LYS  19          HG2       LYS  19   3.287 -10.407   7.959
  182   2HG   LYS  19          HG1       LYS  19   4.637 -10.423   6.821
  183   1HD   LYS  19          HD2       LYS  19   5.636 -12.274   7.863
  184   2HD   LYS  19          HD1       LYS  19   4.659 -12.089   9.320
  185   1HE   LYS  19          HE2       LYS  19   2.740 -12.430   7.422
  186   2HE   LYS  19          HE1       LYS  19   4.042 -13.434   6.784
  187   1HZ   LYS  19          HZ1       LYS  19   2.520 -14.645   8.266
  188   2HZ   LYS  19          HZ2       LYS  19   2.967 -13.631   9.544
  189   3HZ   LYS  19          HZ3       LYS  19   4.114 -14.651   8.834
  190   1HN   NH2  20          NH1       NH2  20   4.500  -9.285  12.673
  191   2HN   NH2  20          NH2       NH2  20   6.139  -8.879  13.038
  Start of MODEL   19
    1   1H    ALA   1          HT1       ALA   1  -9.593   6.172  -8.925
    2   2H    ALA   1          HT2       ALA   1  -8.518   4.843  -9.078
    3   3H    ALA   1          HT3       ALA   1  -9.783   5.062 -10.218
    4    HA   ALA   1           HA       ALA   1  -8.803   6.881 -11.162
    5   1HB   ALA   1          HB1       ALA   1  -6.863   8.014 -10.204
    6   2HB   ALA   1          HB2       ALA   1  -6.891   6.909  -8.830
    7   3HB   ALA   1          HB3       ALA   1  -8.228   8.029  -9.088
    8    H    LYS   2           HN       LYS   2  -6.432   7.093 -12.089
    9    HA   LYS   2           HA       LYS   2  -5.628   4.364 -12.781
   10   1HB   LYS   2          HB2       LYS   2  -6.193   6.370 -14.437
   11   2HB   LYS   2          HB1       LYS   2  -4.492   6.735 -14.180
   12   1HG   LYS   2          HG2       LYS   2  -4.130   4.233 -14.757
   13   2HG   LYS   2          HG1       LYS   2  -5.740   4.349 -15.469
   14   1HD   LYS   2          HD2       LYS   2  -4.646   5.032 -17.308
   15   2HD   LYS   2          HD1       LYS   2  -4.540   6.581 -16.468
   16   1HE   LYS   2          HE2       LYS   2  -2.356   5.941 -15.568
   17   2HE   LYS   2          HE1       LYS   2  -2.464   4.392 -16.405
   18   1HZ   LYS   2          HZ1       LYS   2  -2.847   6.075 -18.427
   19   2HZ   LYS   2          HZ2       LYS   2  -1.322   5.503 -17.973
   20   3HZ   LYS   2          HZ3       LYS   2  -1.842   7.027 -17.454
   21    H    LYS   3           HN       LYS   3  -4.850   5.841 -10.280
   22    HA   LYS   3           HA       LYS   3  -2.078   5.073 -10.306
   23   1HB   LYS   3          HB2       LYS   3  -2.476   7.635 -11.104
   24   2HB   LYS   3          HB1       LYS   3  -2.397   7.866  -9.363
   25   1HG   LYS   3          HG2       LYS   3  -0.194   8.013  -9.696
   26   2HG   LYS   3          HG1       LYS   3  -0.252   6.252  -9.785
   27   1HD   LYS   3          HD2       LYS   3  -0.562   6.437 -12.241
   28   2HD   LYS   3          HD1       LYS   3  -0.355   8.184 -12.099
   29   1HE   LYS   3          HE2       LYS   3   1.885   7.863 -11.207
   30   2HE   LYS   3          HE1       LYS   3   1.680   6.114 -11.280
   31   1HZ   LYS   3          HZ1       LYS   3   1.979   6.080 -13.505
   32   2HZ   LYS   3          HZ2       LYS   3   2.852   7.495 -13.196
   33   3HZ   LYS   3          HZ3       LYS   3   1.259   7.590 -13.757
   34    H    VAL   4           HN       VAL   4  -4.383   4.234  -8.960
   35    HA   VAL   4           HA       VAL   4  -4.384   5.213  -6.269
   36    HB   VAL   4           HB       VAL   4  -5.274   2.486  -7.243
   37   1HG1  VAL   4          HG11      VAL   4  -5.434   3.928  -4.674
   38   2HG1  VAL   4          HG12      VAL   4  -5.383   2.196  -5.006
   39   3HG1  VAL   4          HG13      VAL   4  -6.897   3.085  -5.184
   40   1HG2  VAL   4          HG21      VAL   4  -7.400   3.333  -7.699
   41   2HG2  VAL   4          HG22      VAL   4  -6.313   4.547  -8.375
   42   3HG2  VAL   4          HG23      VAL   4  -7.095   4.831  -6.820
   43    H    PHE   5           HN       PHE   5  -2.283   3.497  -8.155
   44    HA   PHE   5           HA       PHE   5  -1.117   1.502  -6.813
   45   1HB   PHE   5          HB2       PHE   5  -0.465   2.357  -9.038
   46   2HB   PHE   5          HB1       PHE   5   0.292   3.740  -8.265
   47    HD1  PHE   5           HD1      PHE   5   2.555   3.666  -7.858
   48    HD2  PHE   5           HD2      PHE   5   0.401   0.010  -8.178
   49    HE1  PHE   5           HE1      PHE   5   4.663   2.412  -7.669
   50    HE2  PHE   5           HE2      PHE   5   2.505  -1.251  -7.989
   51    HZ   PHE   5           HZ       PHE   5   4.640  -0.049  -7.733
   52    H    LYS   6           HN       LYS   6  -0.994   4.821  -5.984
   53    HA   LYS   6           HA       LYS   6   1.190   4.686  -4.171
   54   1HB   LYS   6          HB2       LYS   6  -0.229   6.736  -5.265
   55   2HB   LYS   6          HB1       LYS   6  -0.901   6.706  -3.641
   56   1HG   LYS   6          HG2       LYS   6   0.853   7.820  -2.892
   57   2HG   LYS   6          HG1       LYS   6   1.914   6.509  -3.408
   58   1HD   LYS   6          HD2       LYS   6   1.407   7.775  -5.771
   59   2HD   LYS   6          HD1       LYS   6   1.410   9.125  -4.635
   60   1HE   LYS   6          HE2       LYS   6   3.635   9.076  -5.020
   61   2HE   LYS   6          HE1       LYS   6   3.596   7.813  -3.790
   62   1HZ   LYS   6          HZ1       LYS   6   4.012   7.592  -6.670
   63   2HZ   LYS   6          HZ2       LYS   6   3.145   6.345  -5.926
   64   3HZ   LYS   6          HZ3       LYS   6   4.711   6.713  -5.404
   65    H    ARG   7           HN       ARG   7  -2.326   4.513  -3.789
   66    HA   ARG   7           HA       ARG   7  -2.354   4.263  -0.988
   67   1HB   ARG   7          HB2       ARG   7  -4.279   3.330  -3.118
   68   2HB   ARG   7          HB1       ARG   7  -4.591   3.121  -1.400
   69   1HG   ARG   7          HG2       ARG   7  -4.138   5.764  -2.770
   70   2HG   ARG   7          HG1       ARG   7  -5.711   5.094  -2.333
   71   1HD   ARG   7          HD2       ARG   7  -4.429   4.924   0.037
   72   2HD   ARG   7          HD1       ARG   7  -3.642   6.345  -0.647
   73    HE   ARG   7           HE       ARG   7  -6.266   6.853  -1.039
   74   1HH1  ARG   7          HH11      ARG   7  -4.417   5.923   1.771
   75   2HH1  ARG   7          HH12      ARG   7  -5.460   6.743   2.883
   76   1HH2  ARG   7          HH21      ARG   7  -7.639   7.933   0.423
   77   2HH2  ARG   7          HH22      ARG   7  -7.289   7.884   2.118
   78    H    LEU   8           HN       LEU   8  -1.737   2.007  -3.573
   79    HA   LEU   8           HA       LEU   8  -2.068  -0.393  -2.132
   80   1HB   LEU   8          HB2       LEU   8  -1.525   0.237  -4.722
   81   2HB   LEU   8          HB1       LEU   8   0.043  -0.337  -4.190
   82    HG   LEU   8           HG       LEU   8  -1.303  -2.391  -3.301
   83   1HD1  LEU   8          HD11      LEU   8  -3.107  -1.923  -5.588
   84   2HD1  LEU   8          HD12      LEU   8  -3.442  -0.998  -4.124
   85   3HD1  LEU   8          HD13      LEU   8  -3.396  -2.760  -4.062
   86   1HD2  LEU   8          HD21      LEU   8   0.373  -2.495  -5.060
   87   2HD2  LEU   8          HD22      LEU   8  -0.808  -1.925  -6.240
   88   3HD2  LEU   8          HD23      LEU   8  -1.018  -3.498  -5.470
   89    H    GLU   9           HN       GLU   9   0.632   1.845  -2.481
   90    HA   GLU   9           HA       GLU   9   2.575   0.191  -1.245
   91   1HB   GLU   9          HB2       GLU   9   2.521   2.740  -2.435
   92   2HB   GLU   9          HB1       GLU   9   3.068   3.002  -0.785
   93   1HG   GLU   9          HG2       GLU   9   4.288   0.918  -2.564
   94   2HG   GLU   9          HG1       GLU   9   4.842   2.592  -2.548
   95    H    LYS  10           HN       LYS  10   0.177   2.437  -0.031
   96    HA   LYS  10           HA       LYS  10   1.172   2.550   2.631
   97   1HB   LYS  10          HB2       LYS  10  -1.239   3.443   1.195
   98   2HB   LYS  10          HB1       LYS  10  -1.511   3.044   2.886
   99   1HG   LYS  10          HG2       LYS  10   0.802   4.780   2.212
  100   2HG   LYS  10          HG1       LYS  10  -0.821   5.468   2.126
  101   1HD   LYS  10          HD2       LYS  10  -1.152   4.489   4.472
  102   2HD   LYS  10          HD1       LYS  10   0.603   4.302   4.499
  103   1HE   LYS  10          HE2       LYS  10   0.732   6.761   3.900
  104   2HE   LYS  10          HE1       LYS  10  -0.993   6.840   4.254
  105   1HZ   LYS  10          HZ1       LYS  10  -0.217   5.716   6.469
  106   2HZ   LYS  10          HZ2       LYS  10  -0.121   7.393   6.271
  107   3HZ   LYS  10          HZ3       LYS  10   1.263   6.439   6.080
  108    H    LEU  11           HN       LEU  11  -1.039   0.444   0.901
  109    HA   LEU  11           HA       LEU  11  -1.966  -0.953   3.195
  110   1HB   LEU  11          HB2       LEU  11  -2.981  -0.835   0.812
  111   2HB   LEU  11          HB1       LEU  11  -1.870  -2.140   0.445
  112    HG   LEU  11           HG       LEU  11  -3.474  -2.609   2.853
  113   1HD1  LEU  11          HD11      LEU  11  -5.377  -3.313   1.109
  114   2HD1  LEU  11          HD12      LEU  11  -4.765  -1.868   0.303
  115   3HD1  LEU  11          HD13      LEU  11  -5.369  -1.766   1.957
  116   1HD2  LEU  11          HD21      LEU  11  -3.899  -4.728   1.346
  117   2HD2  LEU  11          HD22      LEU  11  -2.359  -4.483   2.170
  118   3HD2  LEU  11          HD23      LEU  11  -2.516  -4.089   0.458
  119    H    PHE  12           HN       PHE  12   0.899  -1.047   1.364
  120    HA   PHE  12           HA       PHE  12   1.649  -3.739   2.019
  121   1HB   PHE  12          HB2       PHE  12   2.492  -2.313   0.040
  122   2HB   PHE  12          HB1       PHE  12   3.559  -1.551   1.215
  123    HD1  PHE  12           HD1      PHE  12   5.601  -2.518   1.747
  124    HD2  PHE  12           HD2      PHE  12   2.619  -4.858  -0.189
  125    HE1  PHE  12           HE1      PHE  12   7.227  -4.341   1.454
  126    HE2  PHE  12           HE2      PHE  12   4.240  -6.686  -0.484
  127    HZ   PHE  12           HZ       PHE  12   6.547  -6.429   0.338
  128    H    SER  13           HN       SER  13   2.084  -0.555   3.396
  129    HA   SER  13           HA       SER  13   4.099  -1.251   5.270
  130   1HB   SER  13          HB2       SER  13   3.220   1.104   4.486
  131   2HB   SER  13          HB1       SER  13   2.096   0.909   5.830
  132    HG   SER  13           HG       SER  13   4.928   0.928   5.921
  133    H    LYS  14           HN       LYS  14   0.617  -1.501   5.221
  134    HA   LYS  14           HA       LYS  14   0.243  -1.951   7.996
  135   1HB   LYS  14          HB2       LYS  14  -1.499  -1.380   6.154
  136   2HB   LYS  14          HB1       LYS  14  -1.535  -3.114   5.870
  137   1HG   LYS  14          HG2       LYS  14  -1.985  -3.298   8.400
  138   2HG   LYS  14          HG1       LYS  14  -2.395  -1.585   8.292
  139   1HD   LYS  14          HD2       LYS  14  -3.609  -3.500   6.351
  140   2HD   LYS  14          HD1       LYS  14  -4.242  -3.424   7.997
  141   1HE   LYS  14          HE2       LYS  14  -5.549  -1.803   7.132
  142   2HE   LYS  14          HE1       LYS  14  -4.127  -0.798   7.412
  143   1HZ   LYS  14          HZ1       LYS  14  -5.055  -1.994   4.873
  144   2HZ   LYS  14          HZ2       LYS  14  -3.464  -1.453   5.066
  145   3HZ   LYS  14          HZ3       LYS  14  -4.751  -0.367   5.222
  146    H    ILE  15           HN       ILE  15   1.062  -4.005   5.278
  147    HA   ILE  15           HA       ILE  15   0.622  -6.491   6.570
  148    HB   ILE  15           HB       ILE  15   2.599  -5.923   4.356
  149   1HG1  ILE  15          HG12      ILE  15  -0.329  -6.667   4.167
  150   2HG1  ILE  15          HG11      ILE  15   0.356  -5.095   3.769
  151   1HG2  ILE  15          HG21      ILE  15   3.101  -8.069   4.831
  152   2HG2  ILE  15          HG22      ILE  15   1.649  -8.400   3.886
  153   3HG2  ILE  15          HG23      ILE  15   1.565  -8.361   5.647
  154   1HD1  ILE  15          HD11      ILE  15   1.560  -6.023   1.922
  155   2HD1  ILE  15          HD12      ILE  15  -0.130  -6.513   1.803
  156   3HD1  ILE  15          HD13      ILE  15   1.082  -7.659   2.377
  157    H    TRP  16           HN       TRP  16   3.303  -4.240   6.468
  158    HA   TRP  16           HA       TRP  16   5.178  -6.012   7.697
  159   1HB   TRP  16          HB2       TRP  16   5.139  -3.190   6.833
  160   2HB   TRP  16          HB1       TRP  16   6.197  -3.540   8.196
  161    HD1  TRP  16           HD1      TRP  16   5.933  -3.930   4.461
  162    HE1  TRP  16           HE1      TRP  16   8.072  -5.043   3.560
  163    HE3  TRP  16           HE3      TRP  16   8.046  -5.338   8.898
  164    HZ2  TRP  16           HZ2      TRP  16  10.354  -6.346   4.595
  165    HZ3  TRP  16           HZ3      TRP  16  10.207  -6.513   8.856
  166    HH2  TRP  16           HH2      TRP  16  11.335  -7.007   6.747
  167    H    ASN  17           HN       ASN  17   2.577  -4.171   8.812
  168    HA   ASN  17           HA       ASN  17   3.577  -3.805  11.499
  169   1HB   ASN  17          HB2       ASN  17   1.723  -2.456  10.060
  170   2HB   ASN  17          HB1       ASN  17   0.674  -3.539  10.969
  171   1HD2  ASN  17          HD21      ASN  17   0.179  -3.029  12.994
  172   2HD2  ASN  17          HD22      ASN  17   0.911  -1.763  13.914
  173    H    ASP  18           HN       ASP  18   1.628  -6.078   9.714
  174    HA   ASP  18           HA       ASP  18   0.644  -7.423  12.071
  175   1HB   ASP  18          HB2       ASP  18  -0.222  -7.286   9.473
  176   2HB   ASP  18          HB1       ASP  18   0.525  -8.881   9.520
  177    H    LYS  19           HN       LYS  19   3.335  -7.706   9.876
  178    HA   LYS  19           HA       LYS  19   4.048 -10.372  10.668
  179   1HB   LYS  19          HB2       LYS  19   4.972  -8.398   8.751
  180   2HB   LYS  19          HB1       LYS  19   6.319  -9.170   9.576
  181   1HG   LYS  19          HG2       LYS  19   5.926 -10.454   7.653
  182   2HG   LYS  19          HG1       LYS  19   5.240 -11.380   8.989
  183   1HD   LYS  19          HD2       LYS  19   3.111  -9.863   8.225
  184   2HD   LYS  19          HD1       LYS  19   3.925 -10.130   6.682
  185   1HE   LYS  19          HE2       LYS  19   2.928 -12.204   8.625
  186   2HE   LYS  19          HE1       LYS  19   2.347 -11.895   6.989
  187   1HZ   LYS  19          HZ1       LYS  19   3.795 -13.847   7.120
  188   2HZ   LYS  19          HZ2       LYS  19   5.067 -12.876   7.668
  189   3HZ   LYS  19          HZ3       LYS  19   4.443 -12.653   6.111
  190   1HN   NH2  20          NH1       NH2  20   4.112 -10.182  12.942
  191   2HN   NH2  20          NH2       NH2  20   5.454  -9.450  13.747
  Start of MODEL   20
    1   1H    ALA   1          HT1       ALA   1  -7.490   7.430  -9.830
    2   2H    ALA   1          HT2       ALA   1  -9.130   7.042 -10.157
    3   3H    ALA   1          HT3       ALA   1  -8.132   7.682 -11.399
    4    HA   ALA   1           HA       ALA   1  -7.547   5.158 -10.029
    5   1HB   ALA   1          HB1       ALA   1  -9.527   5.750 -12.140
    6   2HB   ALA   1          HB2       ALA   1  -9.496   4.460 -10.937
    7   3HB   ALA   1          HB3       ALA   1  -8.504   4.335 -12.390
    8    H    LYS   2           HN       LYS   2  -6.062   7.582 -11.211
    9    HA   LYS   2           HA       LYS   2  -4.604   6.224 -13.357
   10   1HB   LYS   2          HB2       LYS   2  -5.498   8.776 -13.242
   11   2HB   LYS   2          HB1       LYS   2  -3.866   8.990 -12.623
   12   1HG   LYS   2          HG2       LYS   2  -3.077   7.720 -14.671
   13   2HG   LYS   2          HG1       LYS   2  -4.715   7.926 -15.297
   14   1HD   LYS   2          HD2       LYS   2  -4.497  10.337 -15.153
   15   2HD   LYS   2          HD1       LYS   2  -2.897  10.171 -14.426
   16   1HE   LYS   2          HE2       LYS   2  -2.536   8.730 -16.663
   17   2HE   LYS   2          HE1       LYS   2  -3.752   9.870 -17.238
   18   1HZ   LYS   2          HZ1       LYS   2  -1.040  10.429 -16.216
   19   2HZ   LYS   2          HZ2       LYS   2  -2.229  11.631 -16.217
   20   3HZ   LYS   2          HZ3       LYS   2  -1.747  10.920 -17.673
   21    H    LYS   3           HN       LYS   3  -4.409   6.527 -10.068
   22    HA   LYS   3           HA       LYS   3  -1.781   5.471  -9.950
   23   1HB   LYS   3          HB2       LYS   3  -1.449   8.011 -10.381
   24   2HB   LYS   3          HB1       LYS   3  -1.963   8.208  -8.711
   25   1HG   LYS   3          HG2       LYS   3  -0.116   6.962  -7.901
   26   2HG   LYS   3          HG1       LYS   3   0.316   6.426  -9.527
   27   1HD   LYS   3          HD2       LYS   3   0.370   9.124  -9.832
   28   2HD   LYS   3          HD1       LYS   3   0.892   8.961  -8.154
   29   1HE   LYS   3          HE2       LYS   3   2.503   7.165  -9.061
   30   2HE   LYS   3          HE1       LYS   3   2.165   7.872 -10.641
   31   1HZ   LYS   3          HZ1       LYS   3   3.020   9.569  -8.383
   32   2HZ   LYS   3          HZ2       LYS   3   3.139   9.872 -10.043
   33   3HZ   LYS   3          HZ3       LYS   3   4.161   8.737  -9.316
   34    H    VAL   4           HN       VAL   4  -4.293   4.744  -8.997
   35    HA   VAL   4           HA       VAL   4  -4.543   5.274  -6.200
   36    HB   VAL   4           HB       VAL   4  -5.513   2.845  -7.733
   37   1HG1  VAL   4          HG11      VAL   4  -5.837   3.787  -4.954
   38   2HG1  VAL   4          HG12      VAL   4  -5.866   2.150  -5.610
   39   3HG1  VAL   4          HG13      VAL   4  -7.291   3.181  -5.746
   40   1HG2  VAL   4          HG21      VAL   4  -7.223   5.193  -7.005
   41   2HG2  VAL   4          HG22      VAL   4  -7.493   3.951  -8.229
   42   3HG2  VAL   4          HG23      VAL   4  -6.273   5.198  -8.492
   43    H    PHE   5           HN       PHE   5  -2.394   3.624  -8.115
   44    HA   PHE   5           HA       PHE   5  -1.553   1.384  -6.871
   45   1HB   PHE   5          HB2       PHE   5  -0.680   2.404  -8.986
   46   2HB   PHE   5          HB1       PHE   5   0.227   3.542  -8.003
   47    HD1  PHE   5           HD1      PHE   5  -0.292  -0.160  -8.106
   48    HD2  PHE   5           HD2      PHE   5   2.454   3.075  -7.787
   49    HE1  PHE   5           HE1      PHE   5   1.573  -1.762  -7.979
   50    HE2  PHE   5           HE2      PHE   5   4.324   1.481  -7.660
   51    HZ   PHE   5           HZ       PHE   5   3.885  -0.941  -7.757
   52    H    LYS   6           HN       LYS   6  -1.237   4.606  -5.791
   53    HA   LYS   6           HA       LYS   6   0.820   4.243  -3.880
   54   1HB   LYS   6          HB2       LYS   6  -0.329   6.430  -4.863
   55   2HB   LYS   6          HB1       LYS   6  -1.329   6.266  -3.427
   56   1HG   LYS   6          HG2       LYS   6   0.270   7.514  -2.477
   57   2HG   LYS   6          HG1       LYS   6   1.128   5.977  -2.347
   58   1HD   LYS   6          HD2       LYS   6   2.636   6.538  -3.935
   59   2HD   LYS   6          HD1       LYS   6   1.442   7.396  -4.910
   60   1HE   LYS   6          HE2       LYS   6   2.712   8.431  -2.376
   61   2HE   LYS   6          HE1       LYS   6   3.161   8.904  -4.014
   62   1HZ   LYS   6          HZ1       LYS   6   1.701  10.550  -3.606
   63   2HZ   LYS   6          HZ2       LYS   6   0.857   9.683  -2.425
   64   3HZ   LYS   6          HZ3       LYS   6   0.552   9.396  -4.063
   65    H    ARG   7           HN       ARG   7  -2.696   3.975  -3.761
   66    HA   ARG   7           HA       ARG   7  -2.952   3.617  -0.984
   67   1HB   ARG   7          HB2       ARG   7  -4.636   3.330  -3.332
   68   2HB   ARG   7          HB1       ARG   7  -4.949   2.056  -2.161
   69   1HG   ARG   7          HG2       ARG   7  -6.440   3.872  -1.736
   70   2HG   ARG   7          HG1       ARG   7  -5.263   3.793  -0.424
   71   1HD   ARG   7          HD2       ARG   7  -4.148   5.698  -1.139
   72   2HD   ARG   7          HD1       ARG   7  -4.780   5.572  -2.780
   73    HE   ARG   7           HE       ARG   7  -6.564   6.828  -2.124
   74   1HH1  ARG   7          HH11      ARG   7  -5.116   5.420   0.723
   75   2HH1  ARG   7          HH12      ARG   7  -6.152   6.267   1.822
   76   1HH2  ARG   7          HH21      ARG   7  -7.928   7.944  -0.680
   77   2HH2  ARG   7          HH22      ARG   7  -7.748   7.700   1.026
   78    H    LEU   8           HN       LEU   8  -2.276   1.377  -3.621
   79    HA   LEU   8           HA       LEU   8  -2.506  -1.016  -2.160
   80   1HB   LEU   8          HB2       LEU   8  -1.158  -0.191  -4.685
   81   2HB   LEU   8          HB1       LEU   8  -0.681  -1.719  -3.969
   82    HG   LEU   8           HG       LEU   8  -3.518  -1.000  -4.708
   83   1HD1  LEU   8          HD11      LEU   8  -2.040  -3.079  -6.190
   84   2HD1  LEU   8          HD12      LEU   8  -1.577  -1.408  -6.512
   85   3HD1  LEU   8          HD13      LEU   8  -3.247  -1.921  -6.750
   86   1HD2  LEU   8          HD21      LEU   8  -3.452  -2.621  -2.941
   87   2HD2  LEU   8          HD22      LEU   8  -2.230  -3.566  -3.792
   88   3HD2  LEU   8          HD23      LEU   8  -3.864  -3.446  -4.444
   89    H    GLU   9           HN       GLU   9   0.188   1.211  -2.665
   90    HA   GLU   9           HA       GLU   9   2.143  -0.368  -1.357
   91   1HB   GLU   9          HB2       GLU   9   1.921   2.516  -2.132
   92   2HB   GLU   9          HB1       GLU   9   3.205   2.023  -1.037
   93   1HG   GLU   9          HG2       GLU   9   2.739   0.769  -3.729
   94   2HG   GLU   9          HG1       GLU   9   3.839   2.119  -3.449
   95    H    LYS  10           HN       LYS  10  -0.314   1.843  -0.262
   96    HA   LYS  10           HA       LYS  10   0.709   2.212   2.368
   97   1HB   LYS  10          HB2       LYS  10  -1.470   3.186   0.848
   98   2HB   LYS  10          HB1       LYS  10  -2.159   2.436   2.281
   99   1HG   LYS  10          HG2       LYS  10   0.072   3.995   3.088
  100   2HG   LYS  10          HG1       LYS  10  -0.938   4.977   2.025
  101   1HD   LYS  10          HD2       LYS  10  -2.630   5.071   3.513
  102   2HD   LYS  10          HD1       LYS  10  -2.401   3.399   4.029
  103   1HE   LYS  10          HE2       LYS  10  -0.393   5.477   4.786
  104   2HE   LYS  10          HE1       LYS  10  -1.910   5.362   5.678
  105   1HZ   LYS  10          HZ1       LYS  10  -0.700   3.909   6.885
  106   2HZ   LYS  10          HZ2       LYS  10   0.352   3.530   5.615
  107   3HZ   LYS  10          HZ3       LYS  10  -1.183   2.821   5.682
  108    H    LEU  11           HN       LEU  11  -1.558  -0.050   0.875
  109    HA   LEU  11           HA       LEU  11  -2.278  -1.325   3.312
  110   1HB   LEU  11          HB2       LEU  11  -3.178  -1.414   0.702
  111   2HB   LEU  11          HB1       LEU  11  -2.459  -2.997   0.928
  112    HG   LEU  11           HG       LEU  11  -3.921  -2.922   3.157
  113   1HD1  LEU  11          HD11      LEU  11  -4.694  -0.558   2.135
  114   2HD1  LEU  11          HD12      LEU  11  -5.719  -1.562   3.160
  115   3HD1  LEU  11          HD13      LEU  11  -5.900  -1.618   1.406
  116   1HD2  LEU  11          HD21      LEU  11  -5.242  -3.526   0.528
  117   2HD2  LEU  11          HD22      LEU  11  -5.465  -4.331   2.082
  118   3HD2  LEU  11          HD23      LEU  11  -3.956  -4.534   1.192
  119    H    PHE  12           HN       PHE  12   0.425  -1.508   1.256
  120    HA   PHE  12           HA       PHE  12   1.262  -4.144   2.045
  121   1HB   PHE  12          HB2       PHE  12   1.911  -2.589  -0.067
  122   2HB   PHE  12          HB1       PHE  12   3.266  -2.223   0.996
  123    HD1  PHE  12           HD1      PHE  12   4.918  -3.886   1.524
  124    HD2  PHE  12           HD2      PHE  12   1.577  -4.836  -0.936
  125    HE1  PHE  12           HE1      PHE  12   6.027  -5.971   0.829
  126    HE2  PHE  12           HE2      PHE  12   2.680  -6.923  -1.634
  127    HZ   PHE  12           HZ       PHE  12   4.907  -7.492  -0.751
  128    H    SER  13           HN       SER  13   1.790  -0.847   3.082
  129    HA   SER  13           HA       SER  13   3.983  -1.365   4.806
  130   1HB   SER  13          HB2       SER  13   2.784   0.906   3.920
  131   2HB   SER  13          HB1       SER  13   2.126   0.817   5.554
  132    HG   SER  13           HG       SER  13   4.722   1.275   4.701
  133    H    LYS  14           HN       LYS  14   0.512  -1.636   5.115
  134    HA   LYS  14           HA       LYS  14   0.399  -1.836   7.937
  135   1HB   LYS  14          HB2       LYS  14  -1.433  -2.735   5.723
  136   2HB   LYS  14          HB1       LYS  14  -1.791  -3.089   7.407
  137   1HG   LYS  14          HG2       LYS  14  -1.343  -0.460   7.607
  138   2HG   LYS  14          HG1       LYS  14  -1.912  -0.534   5.938
  139   1HD   LYS  14          HD2       LYS  14  -3.800  -0.154   7.372
  140   2HD   LYS  14          HD1       LYS  14  -3.901  -1.798   6.736
  141   1HE   LYS  14          HE2       LYS  14  -2.476  -2.163   9.038
  142   2HE   LYS  14          HE1       LYS  14  -3.569  -0.855   9.489
  143   1HZ   LYS  14          HZ1       LYS  14  -5.430  -2.169   9.061
  144   2HZ   LYS  14          HZ2       LYS  14  -4.366  -3.228   9.839
  145   3HZ   LYS  14          HZ3       LYS  14  -4.557  -3.304   8.161
  146    H    ILE  15           HN       ILE  15   1.039  -4.133   5.366
  147    HA   ILE  15           HA       ILE  15   0.780  -6.493   6.902
  148    HB   ILE  15           HB       ILE  15   2.597  -6.063   4.529
  149   1HG1  ILE  15          HG12      ILE  15   0.143  -5.388   4.235
  150   2HG1  ILE  15          HG11      ILE  15   0.795  -6.549   3.088
  151   1HG2  ILE  15          HG21      ILE  15   3.035  -8.128   5.725
  152   2HG2  ILE  15          HG22      ILE  15   2.279  -8.471   4.168
  153   3HG2  ILE  15          HG23      ILE  15   1.326  -8.557   5.649
  154   1HD1  ILE  15          HD11      ILE  15  -0.358  -7.895   5.353
  155   2HD1  ILE  15          HD12      ILE  15  -0.744  -8.042   3.638
  156   3HD1  ILE  15          HD13      ILE  15  -1.516  -6.791   4.612
  157    H    TRP  16           HN       TRP  16   3.398  -4.209   6.407
  158    HA   TRP  16           HA       TRP  16   5.395  -5.812   7.665
  159   1HB   TRP  16          HB2       TRP  16   5.257  -2.881   6.974
  160   2HB   TRP  16          HB1       TRP  16   6.652  -3.597   7.774
  161    HD1  TRP  16           HD1      TRP  16   5.344  -2.863   4.417
  162    HE1  TRP  16           HE1      TRP  16   6.718  -4.082   2.614
  163    HE3  TRP  16           HE3      TRP  16   7.914  -6.112   7.413
  164    HZ2  TRP  16           HZ2      TRP  16   8.637  -6.149   2.479
  165    HZ3  TRP  16           HZ3      TRP  16   9.499  -7.678   6.369
  166    HH2  TRP  16           HH2      TRP  16   9.851  -7.695   3.953
  167    H    ASN  17           HN       ASN  17   2.817  -3.947   8.798
  168    HA   ASN  17           HA       ASN  17   3.976  -3.328  11.371
  169   1HB   ASN  17          HB2       ASN  17   2.306  -1.825  10.339
  170   2HB   ASN  17          HB1       ASN  17   1.108  -3.113  10.425
  171   1HD2  ASN  17          HD21      ASN  17   3.508  -1.759  12.666
  172   2HD2  ASN  17          HD22      ASN  17   2.398  -1.504  13.965
  173    H    ASP  18           HN       ASP  18   1.986  -5.798   9.923
  174    HA   ASP  18           HA       ASP  18   1.217  -6.965  12.451
  175   1HB   ASP  18          HB2       ASP  18   0.689  -7.521   9.579
  176   2HB   ASP  18          HB1       ASP  18   0.584  -8.886  10.687
  177    H    LYS  19           HN       LYS  19   3.741  -7.363  10.083
  178    HA   LYS  19           HA       LYS  19   4.589  -9.942  11.002
  179   1HB   LYS  19          HB2       LYS  19   5.195  -8.216   8.831
  180   2HB   LYS  19          HB1       LYS  19   6.703  -8.539   9.675
  181   1HG   LYS  19          HG2       LYS  19   6.711 -10.296   8.245
  182   2HG   LYS  19          HG1       LYS  19   5.799 -11.027   9.567
  183   1HD   LYS  19          HD2       LYS  19   4.036 -11.317   8.243
  184   2HD   LYS  19          HD1       LYS  19   4.007  -9.597   7.847
  185   1HE   LYS  19          HE2       LYS  19   4.437 -10.309   5.759
  186   2HE   LYS  19          HE1       LYS  19   6.097 -10.442   6.339
  187   1HZ   LYS  19          HZ1       LYS  19   6.008 -12.679   6.349
  188   2HZ   LYS  19          HZ2       LYS  19   4.789 -12.445   5.201
  189   3HZ   LYS  19          HZ3       LYS  19   4.382 -12.741   6.816
  190   1HN   NH2  20          NH1       NH2  20   6.335  -6.849  11.035
  191   2HN   NH2  20          NH2       NH2  20   7.107  -7.097  12.561