*HEADER    RIBOSOME                                10-APR-03   1P0J              
*TITLE     HP (2-20) SUBSTITUTION ASP 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 1P0J    0                                                

set message=off echo=off end
! HP 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   ) 2.5 0.7 0.2 !S
assign (resid   13 and  name HN   )(resid   12 and  name HN   ) 2.5 0.7 0.2 !S
assign (resid   14 and  name HN   )(resid   13 and  name HN   ) 2.5 0.7 0.2 !S
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   ) 3.0 1.2 0.3 !M
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   ) 3.0 1.2 0.3 !M
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 1.5 !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 1.0 !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#  ) 3.0 1.2 1.8 !Mm+
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
! (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    5 and  name HN   )(resid    3 and  name HB2  ) 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 1.0 !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 2.0 !Wm
assign (resid   16 and  name HA   )(resid   19 and  name HB1  ) 4.0 2.2 2.0 !Wm
!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#  ) 3.0 1.2 1.3 !Mm
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  10.925  -7.483  -7.707
    2   2H    ALA   1          HT2       ALA   1  10.046  -8.877  -8.185
    3   3H    ALA   1          HT3       ALA   1  11.659  -8.649  -8.726
    4    HA   ALA   1           HA       ALA   1  11.935 -10.145  -7.087
    5   1HB   ALA   1          HB1       ALA   1  12.093  -7.605  -5.490
    6   2HB   ALA   1          HB2       ALA   1  13.227  -7.976  -6.788
    7   3HB   ALA   1          HB3       ALA   1  13.117  -9.037  -5.384
    8    H    LYS   2           HN       LYS   2  11.658 -10.104  -4.389
    9    HA   LYS   2           HA       LYS   2   8.767 -10.479  -4.083
   10   1HB   LYS   2          HB2       LYS   2  11.000 -12.032  -3.340
   11   2HB   LYS   2          HB1       LYS   2  10.302 -11.436  -1.840
   12   1HG   LYS   2          HG2       LYS   2   8.125 -12.282  -3.358
   13   2HG   LYS   2          HG1       LYS   2   9.368 -13.508  -3.611
   14   1HD   LYS   2          HD2       LYS   2   9.589 -13.178  -0.953
   15   2HD   LYS   2          HD1       LYS   2   7.882 -12.781  -1.162
   16   1HE   LYS   2          HE2       LYS   2   7.652 -14.929  -2.451
   17   2HE   LYS   2          HE1       LYS   2   9.291 -15.327  -1.937
   18   1HZ   LYS   2          HZ1       LYS   2   7.161 -16.063  -0.577
   19   2HZ   LYS   2          HZ2       LYS   2   7.402 -14.553   0.146
   20   3HZ   LYS   2          HZ3       LYS   2   8.634 -15.712   0.178
   21    H    LYS   3           HN       LYS   3  10.083  -7.853  -3.929
   22    HA   LYS   3           HA       LYS   3   9.519  -7.187  -1.106
   23   1HB   LYS   3          HB2       LYS   3  11.848  -6.708  -2.072
   24   2HB   LYS   3          HB1       LYS   3  11.071  -5.460  -3.037
   25   1HG   LYS   3          HG2       LYS   3  12.096  -4.568  -0.999
   26   2HG   LYS   3          HG1       LYS   3  10.351  -4.310  -1.038
   27   1HD   LYS   3          HD2       LYS   3   9.950  -5.859   0.625
   28   2HD   LYS   3          HD1       LYS   3  11.442  -6.744   0.302
   29   1HE   LYS   3          HE2       LYS   3  11.826  -3.970   1.179
   30   2HE   LYS   3          HE1       LYS   3  11.070  -5.021   2.376
   31   1HZ   LYS   3          HZ1       LYS   3  12.942  -6.215   2.641
   32   2HZ   LYS   3          HZ2       LYS   3  13.697  -4.819   2.056
   33   3HZ   LYS   3          HZ3       LYS   3  13.390  -6.113   1.012
   34    H    VAL   4           HN       VAL   4   7.478  -7.568  -2.969
   35    HA   VAL   4           HA       VAL   4   6.512  -5.063  -3.955
   36    HB   VAL   4           HB       VAL   4   4.876  -7.505  -3.222
   37   1HG1  VAL   4          HG11      VAL   4   3.356  -6.583  -5.000
   38   2HG1  VAL   4          HG12      VAL   4   4.334  -5.115  -4.971
   39   3HG1  VAL   4          HG13      VAL   4   3.460  -5.621  -3.525
   40   1HG2  VAL   4          HG21      VAL   4   6.501  -8.278  -4.755
   41   2HG2  VAL   4          HG22      VAL   4   6.363  -6.827  -5.748
   42   3HG2  VAL   4          HG23      VAL   4   5.040  -7.992  -5.700
   43    H    PHE   5           HN       PHE   5   6.978  -6.393  -0.963
   44    HA   PHE   5           HA       PHE   5   4.955  -5.765   0.696
   45   1HB   PHE   5          HB2       PHE   5   7.111  -6.867   1.279
   46   2HB   PHE   5          HB1       PHE   5   7.891  -5.295   1.210
   47    HD1  PHE   5           HD1      PHE   5   5.373  -7.296   3.029
   48    HD2  PHE   5           HD2      PHE   5   7.807  -3.806   3.040
   49    HE1  PHE   5           HE1      PHE   5   4.822  -6.925   5.398
   50    HE2  PHE   5           HE2      PHE   5   7.261  -3.428   5.409
   51    HZ   PHE   5           HZ       PHE   5   5.767  -4.988   6.591
   52    H    LYS   6           HN       LYS   6   7.021  -3.589  -0.933
   53    HA   LYS   6           HA       LYS   6   6.517  -1.287   0.658
   54   1HB   LYS   6          HB2       LYS   6   8.363  -1.756  -1.172
   55   2HB   LYS   6          HB1       LYS   6   7.163  -1.066  -2.256
   56   1HG   LYS   6          HG2       LYS   6   7.521   1.015  -1.525
   57   2HG   LYS   6          HG1       LYS   6   7.614   0.509   0.163
   58   1HD   LYS   6          HD2       LYS   6   9.915  -0.474  -0.518
   59   2HD   LYS   6          HD1       LYS   6   9.777   0.607  -1.907
   60   1HE   LYS   6          HE2       LYS   6   9.188   2.365  -0.023
   61   2HE   LYS   6          HE1       LYS   6  10.109   1.245   0.980
   62   1HZ   LYS   6          HZ1       LYS   6  11.210   2.197  -1.582
   63   2HZ   LYS   6          HZ2       LYS   6  12.029   1.616  -0.222
   64   3HZ   LYS   6          HZ3       LYS   6  11.333   3.156  -0.194
   65    H    ARG   7           HN       ARG   7   5.022  -2.686  -2.209
   66    HA   ARG   7           HA       ARG   7   3.247  -0.583  -2.780
   67   1HB   ARG   7          HB2       ARG   7   3.476  -3.439  -3.488
   68   2HB   ARG   7          HB1       ARG   7   1.846  -2.787  -3.558
   69   1HG   ARG   7          HG2       ARG   7   3.126  -0.856  -4.884
   70   2HG   ARG   7          HG1       ARG   7   4.196  -2.211  -5.249
   71   1HD   ARG   7          HD2       ARG   7   2.464  -3.438  -6.269
   72   2HD   ARG   7          HD1       ARG   7   1.217  -2.389  -5.595
   73    HE   ARG   7           HE       ARG   7   1.530  -0.953  -7.348
   74   1HH1  ARG   7          HH11      ARG   7   4.247  -3.136  -7.187
   75   2HH1  ARG   7          HH12      ARG   7   4.928  -2.598  -8.686
   76   1HH2  ARG   7          HH21      ARG   7   2.423  -0.245  -9.319
   77   2HH2  ARG   7          HH22      ARG   7   3.893  -0.956  -9.896
   78    H    LEU   8           HN       LEU   8   3.219  -3.133  -0.403
   79    HA   LEU   8           HA       LEU   8   0.500  -3.087   0.294
   80   1HB   LEU   8          HB2       LEU   8   2.658  -4.529   1.090
   81   2HB   LEU   8          HB1       LEU   8   2.442  -3.484   2.481
   82    HG   LEU   8           HG       LEU   8  -0.110  -4.360   2.079
   83   1HD1  LEU   8          HD11      LEU   8   0.180  -6.869   1.857
   84   2HD1  LEU   8          HD12      LEU   8   1.780  -6.523   1.200
   85   3HD1  LEU   8          HD13      LEU   8   0.341  -5.922   0.378
   86   1HD2  LEU   8          HD21      LEU   8   0.518  -4.492   4.247
   87   2HD2  LEU   8          HD22      LEU   8   2.131  -5.090   3.858
   88   3HD2  LEU   8          HD23      LEU   8   0.753  -6.191   3.836
   89    H    GLU   9           HN       GLU   9   3.257  -1.164   1.426
   90    HA   GLU   9           HA       GLU   9   1.829   0.252   3.420
   91   1HB   GLU   9          HB2       GLU   9   4.436   0.087   2.801
   92   2HB   GLU   9          HB1       GLU   9   4.064   1.606   1.997
   93   1HG   GLU   9          HG2       GLU   9   3.565   2.686   3.974
   94   2HG   GLU   9          HG1       GLU   9   3.240   1.181   4.833
   95    H    LYS  10           HN       LYS  10   2.296   0.724  -0.020
   96    HA   LYS  10           HA       LYS  10   1.229   3.340  -0.173
   97   1HB   LYS  10          HB2       LYS  10   2.499   1.789  -1.944
   98   2HB   LYS  10          HB1       LYS  10   0.848   1.452  -2.445
   99   1HG   LYS  10          HG2       LYS  10   1.313   3.224  -3.792
  100   2HG   LYS  10          HG1       LYS  10   0.654   4.078  -2.395
  101   1HD   LYS  10          HD2       LYS  10   2.550   5.279  -2.506
  102   2HD   LYS  10          HD1       LYS  10   3.285   3.880  -1.720
  103   1HE   LYS  10          HE2       LYS  10   4.419   3.282  -3.568
  104   2HE   LYS  10          HE1       LYS  10   3.075   3.674  -4.639
  105   1HZ   LYS  10          HZ1       LYS  10   4.658   5.230  -5.204
  106   2HZ   LYS  10          HZ2       LYS  10   5.199   5.438  -3.615
  107   3HZ   LYS  10          HZ3       LYS  10   3.716   6.094  -4.095
  108    H    LEU  11           HN       LEU  11  -0.172   0.148  -0.045
  109    HA   LEU  11           HA       LEU  11  -2.767   0.772  -0.933
  110   1HB   LEU  11          HB2       LEU  11  -1.623  -1.522  -0.408
  111   2HB   LEU  11          HB1       LEU  11  -2.264  -1.265   1.203
  112    HG   LEU  11           HG       LEU  11  -3.791  -2.661  -0.004
  113   1HD1  LEU  11          HD11      LEU  11  -5.753  -1.555   0.464
  114   2HD1  LEU  11          HD12      LEU  11  -5.152  -0.010  -0.139
  115   3HD1  LEU  11          HD13      LEU  11  -4.593  -0.628   1.415
  116   1HD2  LEU  11          HD21      LEU  11  -3.297  -0.711  -2.166
  117   2HD2  LEU  11          HD22      LEU  11  -4.936  -1.350  -2.041
  118   3HD2  LEU  11          HD23      LEU  11  -3.574  -2.451  -2.244
  119    H    PHE  12           HN       PHE  12  -1.188   1.048   2.204
  120    HA   PHE  12           HA       PHE  12  -3.483   1.572   3.746
  121   1HB   PHE  12          HB2       PHE  12  -0.923   1.189   4.390
  122   2HB   PHE  12          HB1       PHE  12  -0.925   2.949   4.420
  123    HD1  PHE  12           HD1      PHE  12  -3.026   3.967   5.728
  124    HD2  PHE  12           HD2      PHE  12  -1.351   0.107   6.361
  125    HE1  PHE  12           HE1      PHE  12  -3.981   3.929   7.995
  126    HE2  PHE  12           HE2      PHE  12  -2.303   0.062   8.629
  127    HZ   PHE  12           HZ       PHE  12  -3.620   1.974   9.449
  128    H    SER  13           HN       SER  13  -1.401   3.658   1.815
  129    HA   SER  13           HA       SER  13  -2.471   6.127   2.644
  130   1HB   SER  13          HB2       SER  13  -0.858   5.161   0.346
  131   2HB   SER  13          HB1       SER  13  -1.730   6.675   0.106
  132    HG   SER  13           HG       SER  13  -0.517   7.632   1.585
  133    H    LYS  14           HN       LYS  14  -3.542   3.726   0.346
  134    HA   LYS  14           HA       LYS  14  -5.440   5.289  -1.033
  135   1HB   LYS  14          HB2       LYS  14  -5.495   2.316  -0.473
  136   2HB   LYS  14          HB1       LYS  14  -6.436   3.149  -1.702
  137   1HG   LYS  14          HG2       LYS  14  -4.197   3.893  -2.669
  138   2HG   LYS  14          HG1       LYS  14  -3.479   2.670  -1.619
  139   1HD   LYS  14          HD2       LYS  14  -4.729   0.928  -2.686
  140   2HD   LYS  14          HD1       LYS  14  -5.675   2.100  -3.605
  141   1HE   LYS  14          HE2       LYS  14  -3.989   2.507  -5.086
  142   2HE   LYS  14          HE1       LYS  14  -2.724   2.176  -3.903
  143   1HZ   LYS  14          HZ1       LYS  14  -3.775  -0.237  -4.132
  144   2HZ   LYS  14          HZ2       LYS  14  -2.528   0.312  -5.135
  145   3HZ   LYS  14          HZ3       LYS  14  -4.129   0.348  -5.681
  146    H    ILE  15           HN       ILE  15  -5.506   3.585   2.025
  147    HA   ILE  15           HA       ILE  15  -8.295   3.611   2.445
  148    HB   ILE  15           HB       ILE  15  -6.143   3.756   4.558
  149   1HG1  ILE  15          HG12      ILE  15  -5.908   1.901   2.814
  150   2HG1  ILE  15          HG11      ILE  15  -5.966   1.401   4.497
  151   1HG2  ILE  15          HG21      ILE  15  -8.927   2.611   4.703
  152   2HG2  ILE  15          HG22      ILE  15  -8.457   4.196   5.317
  153   3HG2  ILE  15          HG23      ILE  15  -7.761   2.735   6.020
  154   1HD1  ILE  15          HD11      ILE  15  -8.424   1.431   2.788
  155   2HD1  ILE  15          HD12      ILE  15  -8.128   0.550   4.287
  156   3HD1  ILE  15          HD13      ILE  15  -7.313   0.061   2.801
  157    H    GLN  16           HN       GLN  16  -5.771   5.990   2.998
  158    HA   GLN  16           HA       GLN  16  -7.309   7.771   4.574
  159   1HB   GLN  16          HB2       GLN  16  -4.791   8.006   2.969
  160   2HB   GLN  16          HB1       GLN  16  -5.560   9.463   3.584
  161   1HG   GLN  16          HG2       GLN  16  -5.516   7.861   5.795
  162   2HG   GLN  16          HG1       GLN  16  -4.018   7.418   4.979
  163   1HE2  GLN  16          HE21      GLN  16  -2.485   9.077   4.531
  164   2HE2  GLN  16          HE22      GLN  16  -2.438  10.510   5.496
  165    H    ASN  17           HN       ASN  17  -6.982   7.253   1.137
  166    HA   ASN  17           HA       ASN  17  -8.231   9.686   0.327
  167   1HB   ASN  17          HB2       ASN  17  -6.721   8.206  -1.091
  168   2HB   ASN  17          HB1       ASN  17  -8.103   7.130  -1.275
  169   1HD2  ASN  17          HD21      ASN  17  -7.756   7.615  -3.560
  170   2HD2  ASN  17          HD22      ASN  17  -8.492   9.028  -4.228
  171    H    TRP  18           HN       TRP  18  -9.353   6.501   1.214
  172    HA   TRP  18           HA       TRP  18 -12.029   6.923   0.228
  173   1HB   TRP  18          HB2       TRP  18 -10.551   4.738   1.571
  174   2HB   TRP  18          HB1       TRP  18 -12.281   4.803   1.892
  175    HD1  TRP  18           HD1      TRP  18 -10.267   2.853  -0.146
  176    HE1  TRP  18           HE1      TRP  18 -11.319   2.272  -2.422
  177    HE3  TRP  18           HE3      TRP  18 -13.900   6.445  -0.301
  178    HZ2  TRP  18           HZ2      TRP  18 -13.413   3.213  -4.066
  179    HZ3  TRP  18           HZ3      TRP  18 -15.386   6.537  -2.260
  180    HH2  TRP  18           HH2      TRP  18 -15.145   4.954  -4.103
  181    H    LYS  19           HN       LYS  19 -10.303   7.338   3.230
  182    HA   LYS  19           HA       LYS  19 -12.669   7.661   4.834
  183   1HB   LYS  19          HB2       LYS  19 -10.181   6.977   5.486
  184   2HB   LYS  19          HB1       LYS  19 -10.031   8.711   5.732
  185   1HG   LYS  19          HG2       LYS  19 -12.115   8.513   7.187
  186   2HG   LYS  19          HG1       LYS  19 -11.829   6.772   7.143
  187   1HD   LYS  19          HD2       LYS  19 -10.043   6.904   8.515
  188   2HD   LYS  19          HD1       LYS  19  -9.476   8.413   7.796
  189   1HE   LYS  19          HE2       LYS  19 -10.532   9.676   9.322
  190   2HE   LYS  19          HE1       LYS  19 -11.977   8.666   9.297
  191   1HZ   LYS  19          HZ1       LYS  19 -10.340   7.034  10.550
  192   2HZ   LYS  19          HZ2       LYS  19 -11.244   8.203  11.373
  193   3HZ   LYS  19          HZ3       LYS  19  -9.619   8.495  11.007
  194   1HN   NH2  20          NH1       NH2  20 -10.073   9.881   3.848
  195   2HN   NH2  20          NH2       NH2  20 -11.041  11.312   3.885
  Start of MODEL    2
    1   1H    ALA   1          HT1       ALA   1   9.501  -7.510  -7.110
    2   2H    ALA   1          HT2       ALA   1  11.118  -7.871  -6.662
    3   3H    ALA   1          HT3       ALA   1  10.004  -7.309  -5.484
    4    HA   ALA   1           HA       ALA   1   8.653  -9.334  -6.115
    5   1HB   ALA   1          HB1       ALA   1   9.998 -11.218  -6.891
    6   2HB   ALA   1          HB2       ALA   1  11.394 -10.154  -7.068
    7   3HB   ALA   1          HB3       ALA   1   9.971  -9.918  -8.083
    8    H    LYS   2           HN       LYS   2  11.791  -8.504  -4.804
    9    HA   LYS   2           HA       LYS   2  11.484 -10.416  -2.621
   10   1HB   LYS   2          HB2       LYS   2  13.749  -9.777  -1.987
   11   2HB   LYS   2          HB1       LYS   2  13.684 -10.202  -3.692
   12   1HG   LYS   2          HG2       LYS   2  13.525  -7.751  -4.199
   13   2HG   LYS   2          HG1       LYS   2  13.854  -7.450  -2.492
   14   1HD   LYS   2          HD2       LYS   2  15.746  -9.320  -3.653
   15   2HD   LYS   2          HD1       LYS   2  15.731  -7.777  -4.509
   16   1HE   LYS   2          HE2       LYS   2  15.693  -7.517  -1.596
   17   2HE   LYS   2          HE1       LYS   2  17.136  -8.315  -2.220
   18   1HZ   LYS   2          HZ1       LYS   2  16.307  -5.909  -3.622
   19   2HZ   LYS   2          HZ2       LYS   2  17.857  -6.437  -3.200
   20   3HZ   LYS   2          HZ3       LYS   2  16.880  -5.679  -2.046
   21    H    LYS   3           HN       LYS   3  10.049  -7.650  -3.137
   22    HA   LYS   3           HA       LYS   3   9.509  -7.072  -0.443
   23   1HB   LYS   3          HB2       LYS   3  11.892  -6.169  -0.663
   24   2HB   LYS   3          HB1       LYS   3  11.224  -4.941  -1.729
   25   1HG   LYS   3          HG2       LYS   3  11.194  -3.825   0.260
   26   2HG   LYS   3          HG1       LYS   3   9.582  -4.544   0.279
   27   1HD   LYS   3          HD2       LYS   3  10.125  -6.054   1.910
   28   2HD   LYS   3          HD1       LYS   3  11.827  -6.108   1.444
   29   1HE   LYS   3          HE2       LYS   3  12.370  -4.281   2.699
   30   2HE   LYS   3          HE1       LYS   3  10.773  -3.554   2.528
   31   1HZ   LYS   3          HZ1       LYS   3  10.783  -4.207   4.716
   32   2HZ   LYS   3          HZ2       LYS   3  11.680  -5.611   4.425
   33   3HZ   LYS   3          HZ3       LYS   3  10.048  -5.546   3.987
   34    H    VAL   4           HN       VAL   4   8.068  -7.498  -2.779
   35    HA   VAL   4           HA       VAL   4   7.036  -5.084  -3.874
   36    HB   VAL   4           HB       VAL   4   5.486  -7.659  -3.537
   37   1HG1  VAL   4          HG11      VAL   4   3.993  -6.830  -5.009
   38   2HG1  VAL   4          HG12      VAL   4   5.227  -6.007  -5.962
   39   3HG1  VAL   4          HG13      VAL   4   4.631  -5.276  -4.472
   40   1HG2  VAL   4          HG21      VAL   4   7.740  -7.003  -5.359
   41   2HG2  VAL   4          HG22      VAL   4   6.390  -7.932  -6.013
   42   3HG2  VAL   4          HG23      VAL   4   7.289  -8.541  -4.623
   43    H    PHE   5           HN       PHE   5   6.895  -6.587  -0.902
   44    HA   PHE   5           HA       PHE   5   4.491  -6.096   0.243
   45   1HB   PHE   5          HB2       PHE   5   6.541  -7.212   1.220
   46   2HB   PHE   5          HB1       PHE   5   7.166  -5.604   1.550
   47    HD1  PHE   5           HD1      PHE   5   6.390  -4.336   3.403
   48    HD2  PHE   5           HD2      PHE   5   4.509  -8.016   2.390
   49    HE1  PHE   5           HE1      PHE   5   5.197  -4.314   5.554
   50    HE2  PHE   5           HE2      PHE   5   3.310  -8.000   4.539
   51    HZ   PHE   5           HZ       PHE   5   3.654  -6.147   6.125
   52    H    LYS   6           HN       LYS   6   6.871  -3.844  -0.704
   53    HA   LYS   6           HA       LYS   6   6.045  -1.630   0.854
   54   1HB   LYS   6          HB2       LYS   6   8.205  -2.042  -0.633
   55   2HB   LYS   6          HB1       LYS   6   7.238  -1.225  -1.853
   56   1HG   LYS   6          HG2       LYS   6   8.578   0.417  -0.799
   57   2HG   LYS   6          HG1       LYS   6   6.925   0.650  -0.225
   58   1HD   LYS   6          HD2       LYS   6   7.486   0.201   1.898
   59   2HD   LYS   6          HD1       LYS   6   8.476  -1.185   1.434
   60   1HE   LYS   6          HE2       LYS   6  10.356   0.178   1.007
   61   2HE   LYS   6          HE1       LYS   6   9.390   1.653   1.046
   62   1HZ   LYS   6          HZ1       LYS   6  10.615   1.465   3.075
   63   2HZ   LYS   6          HZ2       LYS   6  10.042  -0.103   3.349
   64   3HZ   LYS   6          HZ3       LYS   6   8.979   1.210   3.425
   65    H    ARG   7           HN       ARG   7   5.096  -2.898  -2.287
   66    HA   ARG   7           HA       ARG   7   3.519  -0.725  -3.123
   67   1HB   ARG   7          HB2       ARG   7   3.578  -3.644  -3.790
   68   2HB   ARG   7          HB1       ARG   7   2.248  -2.652  -4.374
   69   1HG   ARG   7          HG2       ARG   7   3.689  -2.512  -6.139
   70   2HG   ARG   7          HG1       ARG   7   4.182  -1.095  -5.209
   71   1HD   ARG   7          HD2       ARG   7   5.875  -2.680  -4.095
   72   2HD   ARG   7          HD1       ARG   7   5.541  -3.758  -5.450
   73    HE   ARG   7           HE       ARG   7   7.057  -1.314  -5.506
   74   1HH1  ARG   7          HH11      ARG   7   5.194  -3.574  -7.403
   75   2HH1  ARG   7          HH12      ARG   7   5.955  -3.141  -8.897
   76   1HH2  ARG   7          HH21      ARG   7   8.060  -0.743  -7.469
   77   2HH2  ARG   7          HH22      ARG   7   7.584  -1.535  -8.934
   78    H    LEU   8           HN       LEU   8   2.895  -3.429  -0.978
   79    HA   LEU   8           HA       LEU   8   0.096  -3.184  -0.814
   80   1HB   LEU   8          HB2       LEU   8   1.716  -5.016   0.104
   81   2HB   LEU   8          HB1       LEU   8   1.767  -4.004   1.535
   82    HG   LEU   8           HG       LEU   8  -0.929  -4.683   0.520
   83   1HD1  LEU   8          HD11      LEU   8   0.339  -6.766   2.193
   84   2HD1  LEU   8          HD12      LEU   8   0.752  -6.754   0.479
   85   3HD1  LEU   8          HD13      LEU   8  -0.933  -6.901   0.979
   86   1HD2  LEU   8          HD21      LEU   8  -0.903  -3.423   2.485
   87   2HD2  LEU   8          HD22      LEU   8   0.426  -4.354   3.175
   88   3HD2  LEU   8          HD23      LEU   8  -1.178  -5.074   3.042
   89    H    GLU   9           HN       GLU   9   2.723  -1.618   0.955
   90    HA   GLU   9           HA       GLU   9   1.111  -0.275   2.842
   91   1HB   GLU   9          HB2       GLU   9   3.675  -0.583   2.812
   92   2HB   GLU   9          HB1       GLU   9   3.697   0.826   1.760
   93   1HG   GLU   9          HG2       GLU   9   2.349   1.982   3.606
   94   2HG   GLU   9          HG1       GLU   9   2.858   0.637   4.627
   95    H    LYS  10           HN       LYS  10   2.010   0.410  -0.461
   96    HA   LYS  10           HA       LYS  10   1.205   3.118  -0.533
   97   1HB   LYS  10          HB2       LYS  10   2.622   2.031  -2.264
   98   2HB   LYS  10          HB1       LYS  10   1.223   1.107  -2.793
   99   1HG   LYS  10          HG2       LYS  10   0.488   3.843  -2.769
  100   2HG   LYS  10          HG1       LYS  10   2.046   3.706  -3.585
  101   1HD   LYS  10          HD2       LYS  10   0.519   1.578  -4.560
  102   2HD   LYS  10          HD1       LYS  10  -0.586   2.952  -4.506
  103   1HE   LYS  10          HE2       LYS  10   2.095   3.520  -5.584
  104   2HE   LYS  10          HE1       LYS  10   1.103   2.432  -6.555
  105   1HZ   LYS  10          HZ1       LYS  10  -0.510   4.053  -6.863
  106   2HZ   LYS  10          HZ2       LYS  10   0.931   4.931  -6.982
  107   3HZ   LYS  10          HZ3       LYS  10   0.020   4.992  -5.558
  108    H    LEU  11           HN       LEU  11  -0.483   0.071  -1.165
  109    HA   LEU  11           HA       LEU  11  -2.907   1.177  -2.059
  110   1HB   LEU  11          HB2       LEU  11  -1.983  -1.431  -1.055
  111   2HB   LEU  11          HB1       LEU  11  -3.686  -1.113  -0.782
  112    HG   LEU  11           HG       LEU  11  -3.534  -0.432  -3.377
  113   1HD1  LEU  11          HD11      LEU  11  -1.441  -0.922  -4.076
  114   2HD1  LEU  11          HD12      LEU  11  -2.128  -2.539  -4.236
  115   3HD1  LEU  11          HD13      LEU  11  -1.179  -2.121  -2.810
  116   1HD2  LEU  11          HD21      LEU  11  -4.165  -2.931  -1.928
  117   2HD2  LEU  11          HD22      LEU  11  -4.017  -3.045  -3.682
  118   3HD2  LEU  11          HD23      LEU  11  -5.181  -1.931  -2.965
  119    H    PHE  12           HN       PHE  12  -1.586   0.661   1.141
  120    HA   PHE  12           HA       PHE  12  -3.960   1.057   2.616
  121   1HB   PHE  12          HB2       PHE  12  -1.912   0.110   3.610
  122   2HB   PHE  12          HB1       PHE  12  -1.099   1.658   3.409
  123    HD1  PHE  12           HD1      PHE  12  -4.115   0.170   5.009
  124    HD2  PHE  12           HD2      PHE  12  -1.082   3.150   5.162
  125    HE1  PHE  12           HE1      PHE  12  -4.927   0.876   7.221
  126    HE2  PHE  12           HE2      PHE  12  -1.887   3.862   7.375
  127    HZ   PHE  12           HZ       PHE  12  -3.812   2.724   8.408
  128    H    SER  13           HN       SER  13  -1.673   3.234   1.122
  129    HA   SER  13           HA       SER  13  -2.420   5.606   2.439
  130   1HB   SER  13          HB2       SER  13  -0.380   5.438   1.076
  131   2HB   SER  13          HB1       SER  13  -1.361   5.244  -0.377
  132    HG   SER  13           HG       SER  13  -1.831   7.321  -0.357
  133    H    LYS  14           HN       LYS  14  -3.762   3.884  -0.315
  134    HA   LYS  14           HA       LYS  14  -5.497   5.907  -1.228
  135   1HB   LYS  14          HB2       LYS  14  -5.344   2.945  -1.527
  136   2HB   LYS  14          HB1       LYS  14  -6.859   3.731  -1.949
  137   1HG   LYS  14          HG2       LYS  14  -4.355   4.870  -3.057
  138   2HG   LYS  14          HG1       LYS  14  -4.939   3.342  -3.719
  139   1HD   LYS  14          HD2       LYS  14  -6.164   4.664  -5.067
  140   2HD   LYS  14          HD1       LYS  14  -7.230   4.794  -3.666
  141   1HE   LYS  14          HE2       LYS  14  -5.557   6.753  -3.045
  142   2HE   LYS  14          HE1       LYS  14  -5.309   6.764  -4.791
  143   1HZ   LYS  14          HZ1       LYS  14  -7.371   7.552  -5.168
  144   2HZ   LYS  14          HZ2       LYS  14  -7.233   8.131  -3.585
  145   3HZ   LYS  14          HZ3       LYS  14  -8.072   6.695  -3.889
  146    H    ILE  15           HN       ILE  15  -5.747   3.545   1.344
  147    HA   ILE  15           HA       ILE  15  -8.513   3.804   1.846
  148    HB   ILE  15           HB       ILE  15  -6.366   3.172   3.876
  149   1HG1  ILE  15          HG12      ILE  15  -7.879   1.313   2.027
  150   2HG1  ILE  15          HG11      ILE  15  -6.166   1.703   1.917
  151   1HG2  ILE  15          HG21      ILE  15  -8.190   1.913   4.980
  152   2HG2  ILE  15          HG22      ILE  15  -9.315   2.558   3.786
  153   3HG2  ILE  15          HG23      ILE  15  -8.492   3.649   4.901
  154   1HD1  ILE  15          HD11      ILE  15  -5.606   0.312   3.596
  155   2HD1  ILE  15          HD12      ILE  15  -7.105  -0.486   3.121
  156   3HD1  ILE  15          HD13      ILE  15  -7.091   0.619   4.496
  157    H    GLN  16           HN       GLN  16  -5.708   5.659   2.836
  158    HA   GLN  16           HA       GLN  16  -6.932   7.184   4.864
  159   1HB   GLN  16          HB2       GLN  16  -4.579   7.716   3.054
  160   2HB   GLN  16          HB1       GLN  16  -5.094   8.866   4.280
  161   1HG   GLN  16          HG2       GLN  16  -4.719   7.212   6.017
  162   2HG   GLN  16          HG1       GLN  16  -4.252   6.024   4.801
  163   1HE2  GLN  16          HE21      GLN  16  -3.446   9.447   5.262
  164   2HE2  GLN  16          HE22      GLN  16  -1.733   9.219   5.287
  165    H    ASN  17           HN       ASN  17  -6.879   7.455   1.377
  166    HA   ASN  17           HA       ASN  17  -7.866  10.097   1.184
  167   1HB   ASN  17          HB2       ASN  17  -7.464   7.815  -0.629
  168   2HB   ASN  17          HB1       ASN  17  -8.795   8.873  -1.087
  169   1HD2  ASN  17          HD21      ASN  17  -5.710   8.304  -1.707
  170   2HD2  ASN  17          HD22      ASN  17  -5.150   9.894  -2.084
  171    H    TRP  18           HN       TRP  18  -9.382   7.008   1.740
  172    HA   TRP  18           HA       TRP  18 -12.054   7.983   1.238
  173   1HB   TRP  18          HB2       TRP  18 -10.865   5.389   2.141
  174   2HB   TRP  18          HB1       TRP  18 -12.578   5.688   2.420
  175    HD1  TRP  18           HD1      TRP  18 -10.697   3.846   0.110
  176    HE1  TRP  18           HE1      TRP  18 -11.741   3.773  -2.241
  177    HE3  TRP  18           HE3      TRP  18 -13.926   7.787   0.533
  178    HZ2  TRP  18           HZ2      TRP  18 -13.678   5.199  -3.722
  179    HZ3  TRP  18           HZ3      TRP  18 -15.338   8.368  -1.396
  180    HH2  TRP  18           HH2      TRP  18 -15.215   7.100  -3.479
  181    H    LYS  19           HN       LYS  19 -10.153   7.037   4.092
  182    HA   LYS  19           HA       LYS  19 -12.241   7.946   5.883
  183   1HB   LYS  19          HB2       LYS  19 -10.766   7.200   7.670
  184   2HB   LYS  19          HB1       LYS  19 -10.905   5.954   6.437
  185   1HG   LYS  19          HG2       LYS  19  -8.742   6.690   5.501
  186   2HG   LYS  19          HG1       LYS  19  -8.598   7.847   6.826
  187   1HD   LYS  19          HD2       LYS  19  -8.367   6.162   8.428
  188   2HD   LYS  19          HD1       LYS  19  -9.032   4.927   7.357
  189   1HE   LYS  19          HE2       LYS  19  -7.067   4.726   6.155
  190   2HE   LYS  19          HE1       LYS  19  -6.501   6.331   6.615
  191   1HZ   LYS  19          HZ1       LYS  19  -6.584   5.143   8.989
  192   2HZ   LYS  19          HZ2       LYS  19  -5.211   5.141   8.001
  193   3HZ   LYS  19          HZ3       LYS  19  -6.243   3.801   8.017
  194   1HN   NH2  20          NH1       NH2  20 -12.359   9.875   6.811
  195   2HN   NH2  20          NH2       NH2  20 -11.139  11.098   6.769
  Start of MODEL    3
    1   1H    ALA   1          HT1       ALA   1  12.549  -6.979  -6.567
    2   2H    ALA   1          HT2       ALA   1  13.272  -7.840  -5.270
    3   3H    ALA   1          HT3       ALA   1  11.804  -6.986  -5.023
    4    HA   ALA   1           HA       ALA   1  10.910  -8.473  -6.857
    5   1HB   ALA   1          HB1       ALA   1  13.387  -9.924  -5.964
    6   2HB   ALA   1          HB2       ALA   1  12.892  -9.510  -7.605
    7   3HB   ALA   1          HB3       ALA   1  12.013 -10.746  -6.705
    8    H    LYS   2           HN       LYS   2  12.459  -9.179  -3.732
    9    HA   LYS   2           HA       LYS   2   9.993 -10.478  -2.833
   10   1HB   LYS   2          HB2       LYS   2  12.628 -11.171  -2.486
   11   2HB   LYS   2          HB1       LYS   2  12.249 -10.388  -0.958
   12   1HG   LYS   2          HG2       LYS   2  10.256 -12.329  -1.909
   13   2HG   LYS   2          HG1       LYS   2  11.829 -12.998  -1.469
   14   1HD   LYS   2          HD2       LYS   2  10.592 -11.041   0.391
   15   2HD   LYS   2          HD1       LYS   2   9.884 -12.656   0.312
   16   1HE   LYS   2          HE2       LYS   2  11.450 -13.028   1.923
   17   2HE   LYS   2          HE1       LYS   2  12.429 -13.372   0.497
   18   1HZ   LYS   2          HZ1       LYS   2  13.159 -11.677   2.410
   19   2HZ   LYS   2          HZ2       LYS   2  12.382 -10.601   1.362
   20   3HZ   LYS   2          HZ3       LYS   2  13.673 -11.540   0.804
   21    H    LYS   3           HN       LYS   3  10.095  -7.615  -3.179
   22    HA   LYS   3           HA       LYS   3   9.376  -6.846  -0.442
   23   1HB   LYS   3          HB2       LYS   3  10.556  -4.729  -0.596
   24   2HB   LYS   3          HB1       LYS   3  11.693  -6.053  -0.814
   25   1HG   LYS   3          HG2       LYS   3  11.906  -5.642  -3.110
   26   2HG   LYS   3          HG1       LYS   3  10.464  -4.626  -3.147
   27   1HD   LYS   3          HD2       LYS   3  12.429  -3.230  -3.277
   28   2HD   LYS   3          HD1       LYS   3  11.636  -2.978  -1.721
   29   1HE   LYS   3          HE2       LYS   3  13.470  -5.085  -1.359
   30   2HE   LYS   3          HE1       LYS   3  14.314  -3.837  -2.275
   31   1HZ   LYS   3          HZ1       LYS   3  13.120  -2.357  -0.420
   32   2HZ   LYS   3          HZ2       LYS   3  14.670  -3.007  -0.230
   33   3HZ   LYS   3          HZ3       LYS   3  13.337  -3.787   0.458
   34    H    VAL   4           HN       VAL   4   7.715  -7.568  -2.550
   35    HA   VAL   4           HA       VAL   4   6.640  -5.286  -3.884
   36    HB   VAL   4           HB       VAL   4   6.115  -7.558  -4.667
   37   1HG1  VAL   4          HG11      VAL   4   5.887  -8.270  -2.096
   38   2HG1  VAL   4          HG12      VAL   4   5.168  -9.190  -3.418
   39   3HG1  VAL   4          HG13      VAL   4   4.181  -8.061  -2.490
   40   1HG2  VAL   4          HG21      VAL   4   4.393  -5.446  -4.552
   41   2HG2  VAL   4          HG22      VAL   4   3.420  -6.743  -3.858
   42   3HG2  VAL   4          HG23      VAL   4   4.116  -6.928  -5.468
   43    H    PHE   5           HN       PHE   5   6.760  -6.350  -0.742
   44    HA   PHE   5           HA       PHE   5   4.462  -5.722   0.535
   45   1HB   PHE   5          HB2       PHE   5   6.584  -6.668   1.494
   46   2HB   PHE   5          HB1       PHE   5   7.241  -5.039   1.491
   47    HD1  PHE   5           HD1      PHE   5   4.220  -6.868   2.706
   48    HD2  PHE   5           HD2      PHE   5   7.108  -3.829   3.439
   49    HE1  PHE   5           HE1      PHE   5   3.233  -6.470   4.925
   50    HE2  PHE   5           HE2      PHE   5   6.128  -3.427   5.659
   51    HZ   PHE   5           HZ       PHE   5   4.188  -4.749   6.405
   52    H    LYS   6           HN       LYS   6   6.662  -3.596  -0.964
   53    HA   LYS   6           HA       LYS   6   5.888  -1.202   0.360
   54   1HB   LYS   6          HB2       LYS   6   7.911  -1.894  -1.372
   55   2HB   LYS   6          HB1       LYS   6   6.880  -0.893  -2.385
   56   1HG   LYS   6          HG2       LYS   6   6.959   0.755  -0.377
   57   2HG   LYS   6          HG1       LYS   6   8.396  -0.163   0.078
   58   1HD   LYS   6          HD2       LYS   6   8.079   0.880  -2.711
   59   2HD   LYS   6          HD1       LYS   6   8.655   1.937  -1.421
   60   1HE   LYS   6          HE2       LYS   6  10.652   0.892  -1.277
   61   2HE   LYS   6          HE1       LYS   6   9.959  -0.699  -1.592
   62   1HZ   LYS   6          HZ1       LYS   6  11.475   0.607  -3.335
   63   2HZ   LYS   6          HZ2       LYS   6   9.954   1.159  -3.826
   64   3HZ   LYS   6          HZ3       LYS   6  10.281  -0.500  -3.797
   65    H    ARG   7           HN       ARG   7   4.767  -2.921  -2.488
   66    HA   ARG   7           HA       ARG   7   3.083  -0.829  -3.437
   67   1HB   ARG   7          HB2       ARG   7   3.475  -3.706  -4.042
   68   2HB   ARG   7          HB1       ARG   7   1.901  -3.030  -4.440
   69   1HG   ARG   7          HG2       ARG   7   4.414  -1.672  -5.327
   70   2HG   ARG   7          HG1       ARG   7   3.745  -3.031  -6.233
   71   1HD   ARG   7          HD2       ARG   7   2.248  -0.506  -5.536
   72   2HD   ARG   7          HD1       ARG   7   3.006  -0.834  -7.094
   73    HE   ARG   7           HE       ARG   7   0.523  -1.902  -6.109
   74   1HH1  ARG   7          HH11      ARG   7   3.165  -2.379  -8.339
   75   2HH1  ARG   7          HH12      ARG   7   2.244  -3.377  -9.412
   76   1HH2  ARG   7          HH21      ARG   7  -0.690  -3.216  -7.519
   77   2HH2  ARG   7          HH22      ARG   7   0.055  -3.853  -8.947
   78    H    LEU   8           HN       LEU   8   2.762  -3.405  -1.107
   79    HA   LEU   8           HA       LEU   8  -0.060  -3.311  -0.851
   80   1HB   LEU   8          HB2       LEU   8   2.129  -4.717   0.360
   81   2HB   LEU   8          HB1       LEU   8   1.084  -4.093   1.622
   82    HG   LEU   8           HG       LEU   8  -0.773  -5.174  -0.011
   83   1HD1  LEU   8          HD11      LEU   8   1.447  -6.012  -1.282
   84   2HD1  LEU   8          HD12      LEU   8  -0.073  -6.906  -1.269
   85   3HD1  LEU   8          HD13      LEU   8   1.215  -7.343  -0.147
   86   1HD2  LEU   8          HD21      LEU   8  -0.063  -5.551   2.495
   87   2HD2  LEU   8          HD22      LEU   8   0.632  -7.034   1.839
   88   3HD2  LEU   8          HD23      LEU   8  -1.092  -6.711   1.653
   89    H    GLU   9           HN       GLU   9   2.603  -1.712   0.884
   90    HA   GLU   9           HA       GLU   9   0.916  -0.377   2.736
   91   1HB   GLU   9          HB2       GLU   9   2.890   1.133   3.074
   92   2HB   GLU   9          HB1       GLU   9   3.245  -0.578   3.267
   93   1HG   GLU   9          HG2       GLU   9   4.245  -0.658   1.079
   94   2HG   GLU   9          HG1       GLU   9   3.802   1.021   0.782
   95    H    LYS  10           HN       LYS  10   1.780   0.180  -0.567
   96    HA   LYS  10           HA       LYS  10   1.116   2.949  -0.664
   97   1HB   LYS  10          HB2       LYS  10   2.524   1.699  -2.352
   98   2HB   LYS  10          HB1       LYS  10   1.037   0.976  -2.951
   99   1HG   LYS  10          HG2       LYS  10   0.499   3.692  -2.923
  100   2HG   LYS  10          HG1       LYS  10   2.173   3.586  -3.471
  101   1HD   LYS  10          HD2       LYS  10   1.602   2.630  -5.431
  102   2HD   LYS  10          HD1       LYS  10   0.341   1.639  -4.694
  103   1HE   LYS  10          HE2       LYS  10  -1.148   3.564  -4.623
  104   2HE   LYS  10          HE1       LYS  10   0.116   4.583  -5.309
  105   1HZ   LYS  10          HZ1       LYS  10  -1.301   2.335  -6.624
  106   2HZ   LYS  10          HZ2       LYS  10   0.083   3.060  -7.271
  107   3HZ   LYS  10          HZ3       LYS  10  -1.327   3.970  -7.061
  108    H    LEU  11           HN       LEU  11  -0.646  -0.057  -1.315
  109    HA   LEU  11           HA       LEU  11  -3.029   1.167  -2.214
  110   1HB   LEU  11          HB2       LEU  11  -2.096  -1.474  -1.687
  111   2HB   LEU  11          HB1       LEU  11  -3.625  -1.273  -0.852
  112    HG   LEU  11           HG       LEU  11  -3.695  -0.285  -3.602
  113   1HD1  LEU  11          HD11      LEU  11  -3.155  -3.208  -3.107
  114   2HD1  LEU  11          HD12      LEU  11  -2.132  -2.085  -4.002
  115   3HD1  LEU  11          HD13      LEU  11  -3.722  -2.521  -4.629
  116   1HD2  LEU  11          HD21      LEU  11  -5.763  -0.485  -2.607
  117   2HD2  LEU  11          HD22      LEU  11  -5.344  -1.990  -1.790
  118   3HD2  LEU  11          HD23      LEU  11  -5.665  -1.988  -3.525
  119    H    PHE  12           HN       PHE  12  -1.750   0.437   0.956
  120    HA   PHE  12           HA       PHE  12  -4.127   0.848   2.431
  121   1HB   PHE  12          HB2       PHE  12  -1.637  -0.021   3.073
  122   2HB   PHE  12          HB1       PHE  12  -1.567   1.622   3.703
  123    HD1  PHE  12           HD1      PHE  12  -1.700   1.442   6.001
  124    HD2  PHE  12           HD2      PHE  12  -4.389  -0.802   3.584
  125    HE1  PHE  12           HE1      PHE  12  -2.903   0.716   8.020
  126    HE2  PHE  12           HE2      PHE  12  -5.598  -1.532   5.599
  127    HZ   PHE  12           HZ       PHE  12  -4.855  -0.772   7.821
  128    H    SER  13           HN       SER  13  -1.724   2.981   1.069
  129    HA   SER  13           HA       SER  13  -2.345   5.316   2.513
  130   1HB   SER  13          HB2       SER  13  -1.543   5.507  -0.359
  131   2HB   SER  13          HB1       SER  13  -0.957   6.419   1.032
  132    HG   SER  13           HG       SER  13   0.496   4.927   1.407
  133    H    LYS  14           HN       LYS  14  -3.790   3.800  -0.307
  134    HA   LYS  14           HA       LYS  14  -5.416   5.941  -1.133
  135   1HB   LYS  14          HB2       LYS  14  -5.043   3.223  -1.849
  136   2HB   LYS  14          HB1       LYS  14  -6.761   3.436  -1.545
  137   1HG   LYS  14          HG2       LYS  14  -7.049   4.818  -3.321
  138   2HG   LYS  14          HG1       LYS  14  -5.415   5.476  -3.217
  139   1HD   LYS  14          HD2       LYS  14  -5.533   2.622  -3.881
  140   2HD   LYS  14          HD1       LYS  14  -6.265   3.680  -5.088
  141   1HE   LYS  14          HE2       LYS  14  -3.513   4.117  -3.947
  142   2HE   LYS  14          HE1       LYS  14  -3.817   3.185  -5.413
  143   1HZ   LYS  14          HZ1       LYS  14  -4.330   5.033  -6.593
  144   2HZ   LYS  14          HZ2       LYS  14  -3.295   5.758  -5.469
  145   3HZ   LYS  14          HZ3       LYS  14  -4.970   5.863  -5.265
  146    H    ILE  15           HN       ILE  15  -5.810   3.493   1.351
  147    HA   ILE  15           HA       ILE  15  -8.537   3.917   1.907
  148    HB   ILE  15           HB       ILE  15  -6.395   3.095   3.871
  149   1HG1  ILE  15          HG12      ILE  15  -6.531   1.762   1.692
  150   2HG1  ILE  15          HG11      ILE  15  -6.678   0.851   3.188
  151   1HG2  ILE  15          HG21      ILE  15  -9.350   2.502   3.862
  152   2HG2  ILE  15          HG22      ILE  15  -8.571   3.739   4.848
  153   3HG2  ILE  15          HG23      ILE  15  -8.180   2.038   5.098
  154   1HD1  ILE  15          HD11      ILE  15  -9.136   0.875   2.901
  155   2HD1  ILE  15          HD12      ILE  15  -8.279   0.041   1.605
  156   3HD1  ILE  15          HD13      ILE  15  -8.907   1.668   1.342
  157    H    GLN  16           HN       GLN  16  -5.627   5.606   2.849
  158    HA   GLN  16           HA       GLN  16  -6.705   7.121   4.972
  159   1HB   GLN  16          HB2       GLN  16  -4.216   6.811   3.892
  160   2HB   GLN  16          HB1       GLN  16  -4.629   8.428   3.340
  161   1HG   GLN  16          HG2       GLN  16  -3.864   9.125   5.304
  162   2HG   GLN  16          HG1       GLN  16  -5.363   8.490   5.980
  163   1HE2  GLN  16          HE21      GLN  16  -2.366   8.677   6.772
  164   2HE2  GLN  16          HE22      GLN  16  -2.052   7.115   7.440
  165    H    ASN  17           HN       ASN  17  -6.730   7.506   1.494
  166    HA   ASN  17           HA       ASN  17  -7.586  10.209   1.437
  167   1HB   ASN  17          HB2       ASN  17  -7.648   7.954  -0.550
  168   2HB   ASN  17          HB1       ASN  17  -8.424   9.493  -0.912
  169   1HD2  ASN  17          HD21      ASN  17  -6.988   9.858  -2.612
  170   2HD2  ASN  17          HD22      ASN  17  -5.353  10.340  -2.335
  171    H    TRP  18           HN       TRP  18  -9.242   7.150   1.769
  172    HA   TRP  18           HA       TRP  18 -11.862   8.331   1.401
  173   1HB   TRP  18          HB2       TRP  18 -10.778   5.705   1.313
  174   2HB   TRP  18          HB1       TRP  18 -12.010   5.723   2.571
  175    HD1  TRP  18           HD1      TRP  18 -11.889   7.258  -1.006
  176    HE1  TRP  18           HE1      TRP  18 -14.080   6.628  -2.201
  177    HE3  TRP  18           HE3      TRP  18 -14.078   4.507   2.706
  178    HZ2  TRP  18           HZ2      TRP  18 -16.426   5.160  -1.643
  179    HZ3  TRP  18           HZ3      TRP  18 -16.296   3.524   2.295
  180    HH2  TRP  18           HH2      TRP  18 -17.445   3.846   0.165
  181    H    LYS  19           HN       LYS  19  -9.753   7.384   4.021
  182    HA   LYS  19           HA       LYS  19 -11.644   7.399   6.108
  183   1HB   LYS  19          HB2       LYS  19  -8.783   7.195   5.837
  184   2HB   LYS  19          HB1       LYS  19  -9.182   8.271   7.169
  185   1HG   LYS  19          HG2       LYS  19  -9.016   6.161   8.143
  186   2HG   LYS  19          HG1       LYS  19 -10.752   6.429   7.968
  187   1HD   LYS  19          HD2       LYS  19 -10.157   5.241   5.597
  188   2HD   LYS  19          HD1       LYS  19  -9.000   4.456   6.673
  189   1HE   LYS  19          HE2       LYS  19 -11.084   3.194   6.549
  190   2HE   LYS  19          HE1       LYS  19 -10.814   3.821   8.175
  191   1HZ   LYS  19          HZ1       LYS  19 -12.521   5.309   7.984
  192   2HZ   LYS  19          HZ2       LYS  19 -13.129   4.049   7.034
  193   3HZ   LYS  19          HZ3       LYS  19 -12.426   5.399   6.297
  194   1HN   NH2  20          NH1       NH2  20 -10.975   9.095   8.020
  195   2HN   NH2  20          NH2       NH2  20 -11.237  10.738   7.553
  Start of MODEL    4
    1   1H    ALA   1          HT1       ALA   1  12.976 -10.217  -7.337
    2   2H    ALA   1          HT2       ALA   1  11.542 -11.161  -7.343
    3   3H    ALA   1          HT3       ALA   1  12.389 -10.891  -5.875
    4    HA   ALA   1           HA       ALA   1  11.986  -8.488  -6.223
    5   1HB   ALA   1          HB1       ALA   1  10.636  -7.730  -7.877
    6   2HB   ALA   1          HB2       ALA   1   9.663  -9.201  -7.909
    7   3HB   ALA   1          HB3       ALA   1  11.241  -9.170  -8.696
    8    H    LYS   2           HN       LYS   2  11.687  -9.825  -4.116
    9    HA   LYS   2           HA       LYS   2   8.849 -10.307  -3.567
   10   1HB   LYS   2          HB2       LYS   2  10.832 -11.916  -2.957
   11   2HB   LYS   2          HB1       LYS   2  11.029 -10.835  -1.584
   12   1HG   LYS   2          HG2       LYS   2   8.267 -11.566  -1.881
   13   2HG   LYS   2          HG1       LYS   2   9.284 -13.006  -1.816
   14   1HD   LYS   2          HD2       LYS   2   9.725 -10.802   0.151
   15   2HD   LYS   2          HD1       LYS   2   8.383 -11.924   0.389
   16   1HE   LYS   2          HE2       LYS   2   9.923 -13.154   1.472
   17   2HE   LYS   2          HE1       LYS   2  10.392 -13.651  -0.153
   18   1HZ   LYS   2          HZ1       LYS   2  12.145 -12.727   1.530
   19   2HZ   LYS   2          HZ2       LYS   2  11.600 -11.228   0.968
   20   3HZ   LYS   2          HZ3       LYS   2  12.249 -12.352  -0.117
   21    H    LYS   3           HN       LYS   3   9.973  -7.617  -3.864
   22    HA   LYS   3           HA       LYS   3   9.579  -6.597  -1.121
   23   1HB   LYS   3          HB2       LYS   3  11.650  -6.072  -2.891
   24   2HB   LYS   3          HB1       LYS   3  10.599  -4.676  -3.082
   25   1HG   LYS   3          HG2       LYS   3  10.820  -4.060  -0.835
   26   2HG   LYS   3          HG1       LYS   3  11.467  -5.638  -0.378
   27   1HD   LYS   3          HD2       LYS   3  13.455  -5.140  -1.820
   28   2HD   LYS   3          HD1       LYS   3  12.824  -3.504  -2.019
   29   1HE   LYS   3          HE2       LYS   3  12.736  -3.701   0.657
   30   2HE   LYS   3          HE1       LYS   3  14.085  -4.787   0.327
   31   1HZ   LYS   3          HZ1       LYS   3  14.897  -2.570   0.679
   32   2HZ   LYS   3          HZ2       LYS   3  13.866  -1.946  -0.508
   33   3HZ   LYS   3          HZ3       LYS   3  15.129  -2.981  -0.946
   34    H    VAL   4           HN       VAL   4   7.428  -7.390  -2.714
   35    HA   VAL   4           HA       VAL   4   6.166  -5.147  -3.947
   36    HB   VAL   4           HB       VAL   4   4.804  -7.533  -2.675
   37   1HG1  VAL   4          HG11      VAL   4   3.926  -5.312  -4.432
   38   2HG1  VAL   4          HG12      VAL   4   3.058  -6.154  -3.148
   39   3HG1  VAL   4          HG13      VAL   4   3.240  -6.909  -4.732
   40   1HG2  VAL   4          HG21      VAL   4   5.195  -7.511  -5.588
   41   2HG2  VAL   4          HG22      VAL   4   5.305  -8.842  -4.436
   42   3HG2  VAL   4          HG23      VAL   4   6.663  -7.735  -4.636
   43    H    PHE   5           HN       PHE   5   6.976  -5.991  -0.843
   44    HA   PHE   5           HA       PHE   5   5.082  -5.228   0.899
   45   1HB   PHE   5          HB2       PHE   5   7.362  -6.089   1.413
   46   2HB   PHE   5          HB1       PHE   5   8.006  -4.498   1.039
   47    HD1  PHE   5           HD1      PHE   5   6.289  -6.535   3.497
   48    HD2  PHE   5           HD2      PHE   5   7.512  -2.581   2.508
   49    HE1  PHE   5           HE1      PHE   5   5.931  -5.844   5.832
   50    HE2  PHE   5           HE2      PHE   5   7.157  -1.883   4.841
   51    HZ   PHE   5           HZ       PHE   5   6.365  -3.516   6.506
   52    H    LYS   6           HN       LYS   6   6.850  -3.196  -1.207
   53    HA   LYS   6           HA       LYS   6   6.292  -0.722   0.078
   54   1HB   LYS   6          HB2       LYS   6   7.954  -1.460  -1.946
   55   2HB   LYS   6          HB1       LYS   6   6.659  -0.691  -2.855
   56   1HG   LYS   6          HG2       LYS   6   8.075   0.616  -0.546
   57   2HG   LYS   6          HG1       LYS   6   8.558   0.807  -2.232
   58   1HD   LYS   6          HD2       LYS   6   6.975   2.336  -2.581
   59   2HD   LYS   6          HD1       LYS   6   5.729   1.275  -1.922
   60   1HE   LYS   6          HE2       LYS   6   6.227   2.007   0.320
   61   2HE   LYS   6          HE1       LYS   6   7.596   2.958  -0.256
   62   1HZ   LYS   6          HZ1       LYS   6   5.315   4.085   0.201
   63   2HZ   LYS   6          HZ2       LYS   6   4.920   3.504  -1.338
   64   3HZ   LYS   6          HZ3       LYS   6   6.233   4.552  -1.142
   65    H    ARG   7           HN       ARG   7   4.756  -2.548  -2.527
   66    HA   ARG   7           HA       ARG   7   2.774  -0.647  -3.155
   67   1HB   ARG   7          HB2       ARG   7   2.881  -3.645  -3.470
   68   2HB   ARG   7          HB1       ARG   7   1.514  -2.686  -4.020
   69   1HG   ARG   7          HG2       ARG   7   4.233  -1.897  -4.918
   70   2HG   ARG   7          HG1       ARG   7   3.490  -3.329  -5.634
   71   1HD   ARG   7          HD2       ARG   7   1.569  -2.032  -6.323
   72   2HD   ARG   7          HD1       ARG   7   2.208  -0.603  -5.513
   73    HE   ARG   7           HE       ARG   7   2.985  -1.636  -8.081
   74   1HH1  ARG   7          HH11      ARG   7   3.973   0.315  -5.361
   75   2HH1  ARG   7          HH12      ARG   7   5.126   1.227  -6.275
   76   1HH2  ARG   7          HH21      ARG   7   4.502  -0.438  -9.284
   77   2HH2  ARG   7          HH22      ARG   7   5.427   0.800  -8.502
   78    H    LEU   8           HN       LEU   8   3.059  -3.083  -0.664
   79    HA   LEU   8           HA       LEU   8   0.358  -3.126   0.159
   80   1HB   LEU   8          HB2       LEU   8   2.632  -4.489   0.851
   81   2HB   LEU   8          HB1       LEU   8   2.370  -3.494   2.270
   82    HG   LEU   8           HG       LEU   8  -0.042  -4.874   1.324
   83   1HD1  LEU   8          HD11      LEU   8   2.309  -6.453   2.352
   84   2HD1  LEU   8          HD12      LEU   8   1.531  -6.616   0.778
   85   3HD1  LEU   8          HD13      LEU   8   0.655  -7.055   2.244
   86   1HD2  LEU   8          HD21      LEU   8   0.217  -5.546   3.884
   87   2HD2  LEU   8          HD22      LEU   8  -0.383  -3.967   3.378
   88   3HD2  LEU   8          HD23      LEU   8   1.301  -4.156   3.865
   89    H    GLU   9           HN       GLU   9   3.121  -1.114   1.054
   90    HA   GLU   9           HA       GLU   9   1.771   0.279   3.139
   91   1HB   GLU   9          HB2       GLU   9   4.273   0.777   1.552
   92   2HB   GLU   9          HB1       GLU   9   3.646   2.018   2.629
   93   1HG   GLU   9          HG2       GLU   9   3.618  -0.028   4.325
   94   2HG   GLU   9          HG1       GLU   9   4.903  -0.585   3.254
   95    H    LYS  10           HN       LYS  10   2.023   0.657  -0.319
   96    HA   LYS  10           HA       LYS  10   0.969   3.300  -0.438
   97   1HB   LYS  10          HB2       LYS  10   1.764   1.221  -2.323
   98   2HB   LYS  10          HB1       LYS  10   0.323   2.078  -2.852
   99   1HG   LYS  10          HG2       LYS  10   1.986   4.110  -2.035
  100   2HG   LYS  10          HG1       LYS  10   3.094   2.952  -2.773
  101   1HD   LYS  10          HD2       LYS  10   1.239   2.909  -4.653
  102   2HD   LYS  10          HD1       LYS  10   0.866   4.504  -3.995
  103   1HE   LYS  10          HE2       LYS  10   3.585   4.601  -4.192
  104   2HE   LYS  10          HE1       LYS  10   3.161   3.602  -5.582
  105   1HZ   LYS  10          HZ1       LYS  10   3.196   5.905  -6.213
  106   2HZ   LYS  10          HZ2       LYS  10   2.114   6.315  -4.979
  107   3HZ   LYS  10          HZ3       LYS  10   1.599   5.349  -6.268
  108    H    LEU  11           HN       LEU  11  -0.385   0.083  -0.305
  109    HA   LEU  11           HA       LEU  11  -3.022   0.743  -1.088
  110   1HB   LEU  11          HB2       LEU  11  -1.686  -1.574  -0.507
  111   2HB   LEU  11          HB1       LEU  11  -2.737  -1.415   0.887
  112    HG   LEU  11           HG       LEU  11  -4.047  -1.038  -1.732
  113   1HD1  LEU  11          HD11      LEU  11  -2.728  -3.600  -0.929
  114   2HD1  LEU  11          HD12      LEU  11  -2.795  -2.824  -2.511
  115   3HD1  LEU  11          HD13      LEU  11  -4.229  -3.614  -1.855
  116   1HD2  LEU  11          HD21      LEU  11  -5.879  -1.721  -0.608
  117   2HD2  LEU  11          HD22      LEU  11  -4.912  -1.297   0.804
  118   3HD2  LEU  11          HD23      LEU  11  -5.005  -2.976   0.272
  119    H    PHE  12           HN       PHE  12  -1.314   0.822   1.987
  120    HA   PHE  12           HA       PHE  12  -3.588   1.263   3.619
  121   1HB   PHE  12          HB2       PHE  12  -1.382   0.537   4.500
  122   2HB   PHE  12          HB1       PHE  12  -0.725   2.122   4.105
  123    HD1  PHE  12           HD1      PHE  12  -2.533   0.165   6.506
  124    HD2  PHE  12           HD2      PHE  12  -1.652   4.143   5.276
  125    HE1  PHE  12           HE1      PHE  12  -3.236   0.998   8.712
  126    HE2  PHE  12           HE2      PHE  12  -2.353   4.983   7.480
  127    HZ   PHE  12           HZ       PHE  12  -3.146   3.411   9.201
  128    H    SER  13           HN       SER  13  -1.384   3.404   1.891
  129    HA   SER  13           HA       SER  13  -2.385   5.832   2.928
  130   1HB   SER  13          HB2       SER  13  -0.394   5.062   1.085
  131   2HB   SER  13          HB1       SER  13  -1.485   6.124   0.197
  132    HG   SER  13           HG       SER  13  -0.697   7.739   1.268
  133    H    LYS  14           HN       LYS  14  -3.452   3.678   0.403
  134    HA   LYS  14           HA       LYS  14  -5.222   5.450  -0.910
  135   1HB   LYS  14          HB2       LYS  14  -4.346   2.955  -1.441
  136   2HB   LYS  14          HB1       LYS  14  -5.931   2.573  -0.784
  137   1HG   LYS  14          HG2       LYS  14  -6.094   4.737  -2.684
  138   2HG   LYS  14          HG1       LYS  14  -5.321   3.318  -3.394
  139   1HD   LYS  14          HD2       LYS  14  -7.420   2.206  -2.040
  140   2HD   LYS  14          HD1       LYS  14  -8.103   3.741  -2.578
  141   1HE   LYS  14          HE2       LYS  14  -8.397   2.880  -4.602
  142   2HE   LYS  14          HE1       LYS  14  -6.653   2.669  -4.752
  143   1HZ   LYS  14          HZ1       LYS  14  -8.473   0.696  -3.484
  144   2HZ   LYS  14          HZ2       LYS  14  -6.825   0.493  -3.804
  145   3HZ   LYS  14          HZ3       LYS  14  -7.926   0.602  -5.082
  146    H    ILE  15           HN       ILE  15  -5.483   3.443   1.947
  147    HA   ILE  15           HA       ILE  15  -8.296   3.553   2.230
  148    HB   ILE  15           HB       ILE  15  -6.271   3.308   4.457
  149   1HG1  ILE  15          HG12      ILE  15  -7.504   1.148   2.730
  150   2HG1  ILE  15          HG11      ILE  15  -5.817   1.653   2.702
  151   1HG2  ILE  15          HG21      ILE  15  -7.960   2.721   5.830
  152   2HG2  ILE  15          HG22      ILE  15  -8.844   1.881   4.557
  153   3HG2  ILE  15          HG23      ILE  15  -8.937   3.637   4.683
  154   1HD1  ILE  15          HD11      ILE  15  -5.319   0.277   4.359
  155   2HD1  ILE  15          HD12      ILE  15  -6.954  -0.374   4.230
  156   3HD1  ILE  15          HD13      ILE  15  -6.610   0.930   5.367
  157    H    GLN  16           HN       GLN  16  -5.689   5.697   3.189
  158    HA   GLN  16           HA       GLN  16  -7.241   7.355   4.897
  159   1HB   GLN  16          HB2       GLN  16  -4.537   7.209   4.029
  160   2HB   GLN  16          HB1       GLN  16  -5.108   8.838   3.695
  161   1HG   GLN  16          HG2       GLN  16  -4.256   9.019   5.828
  162   2HG   GLN  16          HG1       GLN  16  -5.980   8.790   6.118
  163   1HE2  GLN  16          HE21      GLN  16  -6.610   7.162   7.376
  164   2HE2  GLN  16          HE22      GLN  16  -5.583   5.908   7.975
  165    H    ASN  17           HN       ASN  17  -6.650   7.259   1.458
  166    HA   ASN  17           HA       ASN  17  -7.722   9.848   0.895
  167   1HB   ASN  17          HB2       ASN  17  -6.141   8.359  -0.550
  168   2HB   ASN  17          HB1       ASN  17  -7.635   7.615  -1.111
  169   1HD2  ASN  17          HD21      ASN  17  -9.137   8.883  -2.256
  170   2HD2  ASN  17          HD22      ASN  17  -8.655  10.339  -3.052
  171    H    TRP  18           HN       TRP  18  -9.020   6.630   1.235
  172    HA   TRP  18           HA       TRP  18 -11.581   7.319   0.090
  173   1HB   TRP  18          HB2       TRP  18 -10.201   4.920   0.690
  174   2HB   TRP  18          HB1       TRP  18 -11.676   4.909   1.652
  175    HD1  TRP  18           HD1      TRP  18 -13.952   4.550   0.392
  176    HE1  TRP  18           HE1      TRP  18 -14.555   3.946  -2.036
  177    HE3  TRP  18           HE3      TRP  18  -9.392   5.313  -1.791
  178    HZ2  TRP  18           HZ2      TRP  18 -13.268   3.809  -4.544
  179    HZ3  TRP  18           HZ3      TRP  18  -9.163   4.922  -4.210
  180    HH2  TRP  18           HH2      TRP  18 -11.062   4.186  -5.557
  181    H    LYS  19           HN       LYS  19 -10.103   7.206   3.241
  182    HA   LYS  19           HA       LYS  19 -12.389   7.106   4.852
  183   1HB   LYS  19          HB2       LYS  19  -9.596   8.079   5.204
  184   2HB   LYS  19          HB1       LYS  19 -10.789   8.571   6.398
  185   1HG   LYS  19          HG2       LYS  19 -10.508   5.693   5.649
  186   2HG   LYS  19          HG1       LYS  19  -9.396   6.435   6.800
  187   1HD   LYS  19          HD2       LYS  19 -10.948   5.839   8.319
  188   2HD   LYS  19          HD1       LYS  19 -11.779   7.293   7.764
  189   1HE   LYS  19          HE2       LYS  19 -13.391   6.125   6.701
  190   2HE   LYS  19          HE1       LYS  19 -12.275   4.866   6.175
  191   1HZ   LYS  19          HZ1       LYS  19 -14.121   4.471   8.023
  192   2HZ   LYS  19          HZ2       LYS  19 -12.857   4.980   9.025
  193   3HZ   LYS  19          HZ3       LYS  19 -12.647   3.639   8.015
  194   1HN   NH2  20          NH1       NH2  20 -14.075   8.393   4.491
  195   2HN   NH2  20          NH2       NH2  20 -14.021  10.116   4.376
  Start of MODEL    5
    1   1H    ALA   1          HT1       ALA   1  10.904  -9.521  -8.161
    2   2H    ALA   1          HT2       ALA   1   9.630  -8.606  -7.465
    3   3H    ALA   1          HT3       ALA   1   9.686 -10.308  -7.248
    4    HA   ALA   1           HA       ALA   1  11.921  -9.893  -6.190
    5   1HB   ALA   1          HB1       ALA   1  11.527  -7.361  -7.001
    6   2HB   ALA   1          HB2       ALA   1  12.532  -7.797  -5.618
    7   3HB   ALA   1          HB3       ALA   1  10.870  -7.263  -5.367
    8    H    LYS   2           HN       LYS   2  11.916  -9.684  -3.785
    9    HA   LYS   2           HA       LYS   2   9.337 -10.612  -2.754
   10   1HB   LYS   2          HB2       LYS   2  11.779 -11.717  -2.472
   11   2HB   LYS   2          HB1       LYS   2  11.752 -10.700  -1.039
   12   1HG   LYS   2          HG2       LYS   2  10.655 -12.330  -0.016
   13   2HG   LYS   2          HG1       LYS   2   9.273 -11.950  -1.045
   14   1HD   LYS   2          HD2       LYS   2   9.564 -14.215  -1.428
   15   2HD   LYS   2          HD1       LYS   2  10.459 -13.493  -2.766
   16   1HE   LYS   2          HE2       LYS   2  11.983 -15.036  -2.023
   17   2HE   LYS   2          HE1       LYS   2  12.465 -13.625  -1.082
   18   1HZ   LYS   2          HZ1       LYS   2  12.144 -15.897   0.082
   19   2HZ   LYS   2          HZ2       LYS   2  10.498 -15.510   0.028
   20   3HZ   LYS   2          HZ3       LYS   2  11.579 -14.491   0.837
   21    H    LYS   3           HN       LYS   3   9.880  -7.786  -3.247
   22    HA   LYS   3           HA       LYS   3   9.413  -6.806  -0.509
   23   1HB   LYS   3          HB2       LYS   3  11.766  -6.299  -1.387
   24   2HB   LYS   3          HB1       LYS   3  10.990  -5.230  -2.546
   25   1HG   LYS   3          HG2       LYS   3   9.864  -4.345  -0.269
   26   2HG   LYS   3          HG1       LYS   3  11.424  -4.898   0.345
   27   1HD   LYS   3          HD2       LYS   3  11.141  -3.083  -2.042
   28   2HD   LYS   3          HD1       LYS   3  11.325  -2.485  -0.392
   29   1HE   LYS   3          HE2       LYS   3  13.503  -3.143  -0.248
   30   2HE   LYS   3          HE1       LYS   3  13.278  -4.502  -1.349
   31   1HZ   LYS   3          HZ1       LYS   3  14.405  -3.157  -2.737
   32   2HZ   LYS   3          HZ2       LYS   3  13.961  -1.738  -1.931
   33   3HZ   LYS   3          HZ3       LYS   3  12.881  -2.471  -3.008
   34    H    VAL   4           HN       VAL   4   7.494  -7.520  -2.393
   35    HA   VAL   4           HA       VAL   4   6.466  -5.245  -3.771
   36    HB   VAL   4           HB       VAL   4   4.817  -7.533  -2.684
   37   1HG1  VAL   4          HG11      VAL   4   4.234  -6.364  -5.315
   38   2HG1  VAL   4          HG12      VAL   4   4.013  -5.272  -3.947
   39   3HG1  VAL   4          HG13      VAL   4   3.145  -6.807  -4.000
   40   1HG2  VAL   4          HG21      VAL   4   6.245  -8.832  -3.865
   41   2HG2  VAL   4          HG22      VAL   4   6.799  -7.496  -4.874
   42   3HG2  VAL   4          HG23      VAL   4   5.260  -8.284  -5.221
   43    H    PHE   5           HN       PHE   5   6.812  -6.125  -0.586
   44    HA   PHE   5           HA       PHE   5   4.723  -5.281   0.876
   45   1HB   PHE   5          HB2       PHE   5   6.879  -6.243   1.691
   46   2HB   PHE   5          HB1       PHE   5   7.623  -4.672   1.444
   47    HD1  PHE   5           HD1      PHE   5   8.182  -3.916   3.562
   48    HD2  PHE   5           HD2      PHE   5   4.298  -5.519   2.885
   49    HE1  PHE   5           HE1      PHE   5   7.511  -3.239   5.830
   50    HE2  PHE   5           HE2      PHE   5   3.620  -4.843   5.151
   51    HZ   PHE   5           HZ       PHE   5   5.227  -3.701   6.627
   52    H    LYS   6           HN       LYS   6   6.863  -3.339  -0.949
   53    HA   LYS   6           HA       LYS   6   6.281  -0.835   0.248
   54   1HB   LYS   6          HB2       LYS   6   8.027  -1.748  -1.721
   55   2HB   LYS   6          HB1       LYS   6   6.940  -0.672  -2.587
   56   1HG   LYS   6          HG2       LYS   6   7.890   0.419  -0.052
   57   2HG   LYS   6          HG1       LYS   6   9.175   0.087  -1.214
   58   1HD   LYS   6          HD2       LYS   6   7.310   1.278  -2.798
   59   2HD   LYS   6          HD1       LYS   6   7.053   2.117  -1.267
   60   1HE   LYS   6          HE2       LYS   6   8.699   3.445  -2.078
   61   2HE   LYS   6          HE1       LYS   6   9.723   2.203  -1.356
   62   1HZ   LYS   6          HZ1       LYS   6   9.080   2.657  -4.192
   63   2HZ   LYS   6          HZ2       LYS   6   9.512   1.107  -3.671
   64   3HZ   LYS   6          HZ3       LYS   6  10.585   2.397  -3.465
   65    H    ARG   7           HN       ARG   7   4.940  -2.595  -2.509
   66    HA   ARG   7           HA       ARG   7   3.155  -0.602  -3.374
   67   1HB   ARG   7          HB2       ARG   7   2.920  -3.612  -3.563
   68   2HB   ARG   7          HB1       ARG   7   1.915  -2.468  -4.441
   69   1HG   ARG   7          HG2       ARG   7   4.830  -2.148  -4.756
   70   2HG   ARG   7          HG1       ARG   7   4.114  -3.597  -5.466
   71   1HD   ARG   7          HD2       ARG   7   3.844  -2.171  -7.218
   72   2HD   ARG   7          HD1       ARG   7   2.346  -1.831  -6.352
   73    HE   ARG   7           HE       ARG   7   4.069  -0.033  -5.311
   74   1HH1  ARG   7          HH11      ARG   7   3.204  -0.868  -8.587
   75   2HH1  ARG   7          HH12      ARG   7   3.495   0.724  -9.202
   76   1HH2  ARG   7          HH21      ARG   7   4.451   2.062  -6.118
   77   2HH2  ARG   7          HH22      ARG   7   4.203   2.388  -7.801
   78    H    LEU   8           HN       LEU   8   3.001  -2.996  -0.829
   79    HA   LEU   8           HA       LEU   8   0.241  -2.857  -0.287
   80   1HB   LEU   8          HB2       LEU   8   2.664  -3.749   1.182
   81   2HB   LEU   8          HB1       LEU   8   1.228  -3.430   2.136
   82    HG   LEU   8           HG       LEU   8   0.055  -4.993   0.404
   83   1HD1  LEU   8          HD11      LEU   8   2.951  -5.763   0.106
   84   2HD1  LEU   8          HD12      LEU   8   1.854  -5.217  -1.163
   85   3HD1  LEU   8          HD13      LEU   8   1.593  -6.777  -0.383
   86   1HD2  LEU   8          HD21      LEU   8   0.868  -6.986   1.789
   87   2HD2  LEU   8          HD22      LEU   8   0.100  -5.651   2.648
   88   3HD2  LEU   8          HD23      LEU   8   1.856  -5.813   2.659
   89    H    GLU   9           HN       GLU   9   2.992  -0.946   0.809
   90    HA   GLU   9           HA       GLU   9   1.599   0.562   2.753
   91   1HB   GLU   9          HB2       GLU   9   4.072   1.239   1.148
   92   2HB   GLU   9          HB1       GLU   9   3.490   2.174   2.519
   93   1HG   GLU   9          HG2       GLU   9   3.630  -0.167   3.726
   94   2HG   GLU   9          HG1       GLU   9   4.806  -0.484   2.451
   95    H    LYS  10           HN       LYS  10   2.005   0.889  -0.711
   96    HA   LYS  10           HA       LYS  10   0.967   3.535  -0.893
   97   1HB   LYS  10          HB2       LYS  10   2.362   2.237  -2.632
   98   2HB   LYS  10          HB1       LYS  10   0.841   1.489  -3.100
   99   1HG   LYS  10          HG2       LYS  10   0.955   4.452  -2.955
  100   2HG   LYS  10          HG1       LYS  10   1.757   3.645  -4.304
  101   1HD   LYS  10          HD2       LYS  10  -1.012   2.805  -3.628
  102   2HD   LYS  10          HD1       LYS  10  -0.793   4.371  -4.412
  103   1HE   LYS  10          HE2       LYS  10   0.719   2.145  -5.600
  104   2HE   LYS  10          HE1       LYS  10  -1.035   2.016  -5.731
  105   1HZ   LYS  10          HZ1       LYS  10   0.523   4.404  -6.558
  106   2HZ   LYS  10          HZ2       LYS  10  -1.124   4.124  -6.820
  107   3HZ   LYS  10          HZ3       LYS  10   0.031   3.179  -7.617
  108    H    LEU  11           HN       LEU  11  -0.421   0.310  -1.000
  109    HA   LEU  11           HA       LEU  11  -3.022   1.124  -1.805
  110   1HB   LEU  11          HB2       LEU  11  -1.749  -1.283  -1.499
  111   2HB   LEU  11          HB1       LEU  11  -2.843  -1.283  -0.129
  112    HG   LEU  11           HG       LEU  11  -4.716  -0.800  -1.750
  113   1HD1  LEU  11          HD11      LEU  11  -2.947  -0.080  -3.527
  114   2HD1  LEU  11          HD12      LEU  11  -4.425  -0.901  -4.028
  115   3HD1  LEU  11          HD13      LEU  11  -2.914  -1.802  -3.904
  116   1HD2  LEU  11          HD21      LEU  11  -4.692  -2.979  -0.982
  117   2HD2  LEU  11          HD22      LEU  11  -3.132  -3.334  -1.723
  118   3HD2  LEU  11          HD23      LEU  11  -4.575  -3.201  -2.727
  119    H    PHE  12           HN       PHE  12  -1.358   0.869   1.259
  120    HA   PHE  12           HA       PHE  12  -3.664   1.108   2.907
  121   1HB   PHE  12          HB2       PHE  12  -0.903   0.712   3.302
  122   2HB   PHE  12          HB1       PHE  12  -1.295   2.207   4.145
  123    HD1  PHE  12           HD1      PHE  12  -3.404   2.110   5.680
  124    HD2  PHE  12           HD2      PHE  12  -1.228  -1.303   4.365
  125    HE1  PHE  12           HE1      PHE  12  -4.313   0.811   7.561
  126    HE2  PHE  12           HE2      PHE  12  -2.134  -2.609   6.243
  127    HZ   PHE  12           HZ       PHE  12  -3.679  -1.552   7.844
  128    H    SER  13           HN       SER  13  -1.549   3.369   1.283
  129    HA   SER  13           HA       SER  13  -2.401   5.696   2.670
  130   1HB   SER  13          HB2       SER  13  -0.330   5.791   1.454
  131   2HB   SER  13          HB1       SER  13  -1.123   5.312  -0.046
  132    HG   SER  13           HG       SER  13  -1.510   7.337  -0.383
  133    H    LYS  14           HN       LYS  14  -3.624   3.888  -0.057
  134    HA   LYS  14           HA       LYS  14  -5.422   5.873  -1.007
  135   1HB   LYS  14          HB2       LYS  14  -4.997   2.968  -1.458
  136   2HB   LYS  14          HB1       LYS  14  -6.591   3.602  -1.846
  137   1HG   LYS  14          HG2       LYS  14  -4.037   4.776  -2.913
  138   2HG   LYS  14          HG1       LYS  14  -4.970   3.533  -3.750
  139   1HD   LYS  14          HD2       LYS  14  -6.402   5.971  -2.834
  140   2HD   LYS  14          HD1       LYS  14  -5.326   6.119  -4.226
  141   1HE   LYS  14          HE2       LYS  14  -7.153   5.488  -5.382
  142   2HE   LYS  14          HE1       LYS  14  -6.664   3.870  -4.881
  143   1HZ   LYS  14          HZ1       LYS  14  -8.125   4.606  -2.789
  144   2HZ   LYS  14          HZ2       LYS  14  -8.770   3.801  -4.130
  145   3HZ   LYS  14          HZ3       LYS  14  -8.915   5.481  -4.003
  146    H    ILE  15           HN       ILE  15  -5.586   3.395   1.459
  147    HA   ILE  15           HA       ILE  15  -8.403   3.509   1.848
  148    HB   ILE  15           HB       ILE  15  -6.318   2.680   3.869
  149   1HG1  ILE  15          HG12      ILE  15  -7.763   0.946   1.856
  150   2HG1  ILE  15          HG11      ILE  15  -6.098   1.489   1.682
  151   1HG2  ILE  15          HG21      ILE  15  -8.905   3.085   4.355
  152   2HG2  ILE  15          HG22      ILE  15  -7.987   1.790   5.124
  153   3HG2  ILE  15          HG23      ILE  15  -9.003   1.441   3.725
  154   1HD1  ILE  15          HD11      ILE  15  -6.612   0.188   4.231
  155   2HD1  ILE  15          HD12      ILE  15  -5.336  -0.093   3.047
  156   3HD1  ILE  15          HD13      ILE  15  -6.914  -0.851   2.838
  157    H    GLN  16           HN       GLN  16  -5.667   5.299   3.100
  158    HA   GLN  16           HA       GLN  16  -7.101   6.597   5.199
  159   1HB   GLN  16          HB2       GLN  16  -4.422   6.869   3.938
  160   2HB   GLN  16          HB1       GLN  16  -5.047   8.274   4.791
  161   1HG   GLN  16          HG2       GLN  16  -4.921   7.272   6.828
  162   2HG   GLN  16          HG1       GLN  16  -5.166   5.654   6.172
  163   1HE2  GLN  16          HE21      GLN  16  -3.434   4.437   5.615
  164   2HE2  GLN  16          HE22      GLN  16  -1.793   4.925   5.849
  165    H    ASN  17           HN       ASN  17  -6.509   7.237   1.814
  166    HA   ASN  17           HA       ASN  17  -7.475   9.935   1.880
  167   1HB   ASN  17          HB2       ASN  17  -6.314   8.142  -0.073
  168   2HB   ASN  17          HB1       ASN  17  -7.711   8.975  -0.748
  169   1HD2  ASN  17          HD21      ASN  17  -5.101   9.352  -1.645
  170   2HD2  ASN  17          HD22      ASN  17  -4.627  10.976  -1.293
  171    H    TRP  18           HN       TRP  18  -8.870   6.775   1.496
  172    HA   TRP  18           HA       TRP  18 -11.392   7.785   0.497
  173   1HB   TRP  18          HB2       TRP  18 -10.168   5.406   0.177
  174   2HB   TRP  18          HB1       TRP  18 -11.205   5.017   1.546
  175    HD1  TRP  18           HD1      TRP  18 -13.666   6.932   0.493
  176    HE1  TRP  18           HE1      TRP  18 -15.130   6.026  -1.421
  177    HE3  TRP  18           HE3      TRP  18 -10.452   3.438  -1.406
  178    HZ2  TRP  18           HZ2      TRP  18 -14.948   4.087  -3.464
  179    HZ3  TRP  18           HZ3      TRP  18 -11.174   2.099  -3.340
  180    HH2  TRP  18           HH2      TRP  18 -13.376   2.418  -4.346
  181    H    LYS  19           HN       LYS  19  -9.960   6.876   3.542
  182    HA   LYS  19           HA       LYS  19 -12.424   6.673   4.982
  183   1HB   LYS  19          HB2       LYS  19  -9.556   6.495   5.586
  184   2HB   LYS  19          HB1       LYS  19 -10.516   7.186   6.887
  185   1HG   LYS  19          HG2       LYS  19 -11.028   4.533   5.559
  186   2HG   LYS  19          HG1       LYS  19 -10.248   4.770   7.124
  187   1HD   LYS  19          HD2       LYS  19 -12.409   6.060   7.733
  188   2HD   LYS  19          HD1       LYS  19 -13.106   5.219   6.347
  189   1HE   LYS  19          HE2       LYS  19 -11.907   3.159   7.605
  190   2HE   LYS  19          HE1       LYS  19 -12.292   4.184   8.987
  191   1HZ   LYS  19          HZ1       LYS  19 -14.150   2.830   8.716
  192   2HZ   LYS  19          HZ2       LYS  19 -14.144   2.970   7.030
  193   3HZ   LYS  19          HZ3       LYS  19 -14.613   4.285   7.985
  194   1HN   NH2  20          NH1       NH2  20 -12.646   8.109   7.017
  195   2HN   NH2  20          NH2       NH2  20 -12.555   9.812   6.738
  Start of MODEL    6
    1   1H    ALA   1          HT1       ALA   1  12.174  -6.723  -5.898
    2   2H    ALA   1          HT2       ALA   1  13.470  -7.235  -6.899
    3   3H    ALA   1          HT3       ALA   1  13.242  -7.948  -5.354
    4    HA   ALA   1           HA       ALA   1  11.418  -8.128  -7.655
    5   1HB   ALA   1          HB1       ALA   1  13.592  -9.850  -6.609
    6   2HB   ALA   1          HB2       ALA   1  13.045  -9.592  -8.266
    7   3HB   ALA   1          HB3       ALA   1  12.128 -10.645  -7.189
    8    H    LYS   2           HN       LYS   2  12.209  -9.384  -4.412
    9    HA   LYS   2           HA       LYS   2   9.396 -10.128  -4.064
   10   1HB   LYS   2          HB2       LYS   2  11.428 -11.685  -3.570
   11   2HB   LYS   2          HB1       LYS   2  11.564 -10.751  -2.086
   12   1HG   LYS   2          HG2       LYS   2   9.493 -11.484  -1.295
   13   2HG   LYS   2          HG1       LYS   2   8.981 -12.038  -2.890
   14   1HD   LYS   2          HD2       LYS   2  11.384 -13.263  -1.606
   15   2HD   LYS   2          HD1       LYS   2   9.772 -13.757  -1.083
   16   1HE   LYS   2          HE2       LYS   2   9.937 -15.242  -2.761
   17   2HE   LYS   2          HE1       LYS   2   9.495 -13.870  -3.776
   18   1HZ   LYS   2          HZ1       LYS   2  12.131 -13.551  -3.634
   19   2HZ   LYS   2          HZ2       LYS   2  11.369 -14.447  -4.849
   20   3HZ   LYS   2          HZ3       LYS   2  12.042 -15.237  -3.514
   21    H    LYS   3           HN       LYS   3  10.202  -7.363  -4.006
   22    HA   LYS   3           HA       LYS   3   9.646  -6.712  -1.176
   23   1HB   LYS   3          HB2       LYS   3  10.684  -4.499  -1.655
   24   2HB   LYS   3          HB1       LYS   3  11.810  -5.840  -1.819
   25   1HG   LYS   3          HG2       LYS   3  11.360  -5.770  -4.294
   26   2HG   LYS   3          HG1       LYS   3  10.496  -4.257  -4.009
   27   1HD   LYS   3          HD2       LYS   3  13.152  -4.368  -2.780
   28   2HD   LYS   3          HD1       LYS   3  13.171  -4.476  -4.541
   29   1HE   LYS   3          HE2       LYS   3  11.337  -2.456  -3.952
   30   2HE   LYS   3          HE1       LYS   3  12.679  -2.196  -2.839
   31   1HZ   LYS   3          HZ1       LYS   3  14.077  -1.664  -4.507
   32   2HZ   LYS   3          HZ2       LYS   3  12.647  -1.259  -5.315
   33   3HZ   LYS   3          HZ3       LYS   3  13.388  -2.752  -5.605
   34    H    VAL   4           HN       VAL   4   7.653  -7.437  -2.987
   35    HA   VAL   4           HA       VAL   4   6.310  -5.145  -4.032
   36    HB   VAL   4           HB       VAL   4   5.013  -7.724  -3.126
   37   1HG1  VAL   4          HG11      VAL   4   4.217  -5.590  -5.098
   38   2HG1  VAL   4          HG12      VAL   4   3.398  -6.034  -3.600
   39   3HG1  VAL   4          HG13      VAL   4   3.411  -7.153  -4.963
   40   1HG2  VAL   4          HG21      VAL   4   6.425  -8.686  -4.603
   41   2HG2  VAL   4          HG22      VAL   4   6.763  -7.167  -5.433
   42   3HG2  VAL   4          HG23      VAL   4   5.280  -8.053  -5.786
   43    H    PHE   5           HN       PHE   5   7.010  -6.286  -1.000
   44    HA   PHE   5           HA       PHE   5   4.947  -5.833   0.677
   45   1HB   PHE   5          HB2       PHE   5   7.239  -6.662   1.239
   46   2HB   PHE   5          HB1       PHE   5   7.814  -5.007   1.130
   47    HD1  PHE   5           HD1      PHE   5   4.807  -6.546   2.725
   48    HD2  PHE   5           HD2      PHE   5   8.340  -4.227   3.225
   49    HE1  PHE   5           HE1      PHE   5   4.237  -6.194   5.093
   50    HE2  PHE   5           HE2      PHE   5   7.777  -3.871   5.594
   51    HZ   PHE   5           HZ       PHE   5   5.723  -4.856   6.530
   52    H    LYS   6           HN       LYS   6   6.745  -3.516  -1.069
   53    HA   LYS   6           HA       LYS   6   6.041  -1.216   0.437
   54   1HB   LYS   6          HB2       LYS   6   7.794  -1.680  -1.592
   55   2HB   LYS   6          HB1       LYS   6   6.501  -0.866  -2.462
   56   1HG   LYS   6          HG2       LYS   6   6.867   1.121  -1.431
   57   2HG   LYS   6          HG1       LYS   6   7.419   0.369   0.067
   58   1HD   LYS   6          HD2       LYS   6   9.466  -0.368  -1.317
   59   2HD   LYS   6          HD1       LYS   6   8.940   0.858  -2.472
   60   1HE   LYS   6          HE2       LYS   6   9.564   1.330   0.442
   61   2HE   LYS   6          HE1       LYS   6  10.617   1.733  -0.914
   62   1HZ   LYS   6          HZ1       LYS   6   8.027   2.954  -0.178
   63   2HZ   LYS   6          HZ2       LYS   6   8.678   3.130  -1.729
   64   3HZ   LYS   6          HZ3       LYS   6   9.527   3.710  -0.386
   65    H    ARG   7           HN       ARG   7   4.596  -2.926  -2.270
   66    HA   ARG   7           HA       ARG   7   2.620  -1.039  -2.928
   67   1HB   ARG   7          HB2       ARG   7   3.269  -3.748  -3.631
   68   2HB   ARG   7          HB1       ARG   7   1.542  -3.628  -3.323
   69   1HG   ARG   7          HG2       ARG   7   1.721  -1.522  -4.866
   70   2HG   ARG   7          HG1       ARG   7   3.187  -2.325  -5.432
   71   1HD   ARG   7          HD2       ARG   7   1.517  -4.403  -5.520
   72   2HD   ARG   7          HD1       ARG   7   0.344  -3.105  -5.742
   73    HE   ARG   7           HE       ARG   7   2.269  -2.495  -7.534
   74   1HH1  ARG   7          HH11      ARG   7   0.474  -5.416  -6.884
   75   2HH1  ARG   7          HH12      ARG   7   0.533  -5.966  -8.524
   76   1HH2  ARG   7          HH21      ARG   7   2.347  -3.217  -9.693
   77   2HH2  ARG   7          HH22      ARG   7   1.596  -4.718 -10.119
   78    H    LEU   8           HN       LEU   8   2.816  -3.518  -0.451
   79    HA   LEU   8           HA       LEU   8   0.116  -3.532   0.332
   80   1HB   LEU   8          HB2       LEU   8   2.565  -4.665   1.239
   81   2HB   LEU   8          HB1       LEU   8   1.791  -3.904   2.616
   82    HG   LEU   8           HG       LEU   8  -0.321  -5.212   1.847
   83   1HD1  LEU   8          HD11      LEU   8   0.207  -6.134  -0.194
   84   2HD1  LEU   8          HD12      LEU   8   0.552  -7.477   0.897
   85   3HD1  LEU   8          HD13      LEU   8   1.871  -6.485   0.273
   86   1HD2  LEU   8          HD21      LEU   8   0.546  -7.247   3.085
   87   2HD2  LEU   8          HD22      LEU   8   0.659  -5.705   3.933
   88   3HD2  LEU   8          HD23      LEU   8   2.093  -6.406   3.183
   89    H    GLU   9           HN       GLU   9   2.871  -1.572   1.406
   90    HA   GLU   9           HA       GLU   9   1.398  -0.116   3.354
   91   1HB   GLU   9          HB2       GLU   9   3.931   0.648   1.881
   92   2HB   GLU   9          HB1       GLU   9   3.307   1.450   3.316
   93   1HG   GLU   9          HG2       GLU   9   3.449  -1.197   4.071
   94   2HG   GLU   9          HG1       GLU   9   4.882  -0.971   3.070
   95    H    LYS  10           HN       LYS  10   1.875   0.176  -0.079
   96    HA   LYS  10           HA       LYS  10   0.941   2.853  -0.332
   97   1HB   LYS  10          HB2       LYS  10   2.301   1.532  -2.039
   98   2HB   LYS  10          HB1       LYS  10   0.802   0.713  -2.456
   99   1HG   LYS  10          HG2       LYS  10   0.671   2.343  -3.998
  100   2HG   LYS  10          HG1       LYS  10  -0.006   3.265  -2.654
  101   1HD   LYS  10          HD2       LYS  10   2.937   3.273  -2.879
  102   2HD   LYS  10          HD1       LYS  10   2.060   4.114  -4.159
  103   1HE   LYS  10          HE2       LYS  10   0.924   5.491  -2.536
  104   2HE   LYS  10          HE1       LYS  10   1.650   4.585  -1.209
  105   1HZ   LYS  10          HZ1       LYS  10   3.129   6.259  -1.272
  106   2HZ   LYS  10          HZ2       LYS  10   2.798   6.660  -2.882
  107   3HZ   LYS  10          HZ3       LYS  10   3.825   5.364  -2.528
  108    H    LEU  11           HN       LEU  11  -0.552  -0.308  -0.211
  109    HA   LEU  11           HA       LEU  11  -3.107   0.440  -1.162
  110   1HB   LEU  11          HB2       LEU  11  -1.870  -1.907  -0.260
  111   2HB   LEU  11          HB1       LEU  11  -3.214  -1.651   0.837
  112    HG   LEU  11           HG       LEU  11  -4.506  -1.279  -1.478
  113   1HD1  LEU  11          HD11      LEU  11  -2.066  -2.866  -2.129
  114   2HD1  LEU  11          HD12      LEU  11  -2.891  -1.629  -3.077
  115   3HD1  LEU  11          HD13      LEU  11  -3.591  -3.241  -2.931
  116   1HD2  LEU  11          HD21      LEU  11  -4.736  -3.943  -1.338
  117   2HD2  LEU  11          HD22      LEU  11  -5.499  -2.847  -0.185
  118   3HD2  LEU  11          HD23      LEU  11  -3.976  -3.636   0.223
  119    H    PHE  12           HN       PHE  12  -1.624   0.446   2.045
  120    HA   PHE  12           HA       PHE  12  -3.968   1.075   3.494
  121   1HB   PHE  12          HB2       PHE  12  -1.842   0.251   4.518
  122   2HB   PHE  12          HB1       PHE  12  -1.116   1.820   4.186
  123    HD1  PHE  12           HD1      PHE  12  -4.161   0.416   5.825
  124    HD2  PHE  12           HD2      PHE  12  -1.073   3.344   5.897
  125    HE1  PHE  12           HE1      PHE  12  -5.016   1.260   7.972
  126    HE2  PHE  12           HE2      PHE  12  -1.922   4.192   8.045
  127    HZ   PHE  12           HZ       PHE  12  -3.896   3.150   9.085
  128    H    SER  13           HN       SER  13  -1.660   2.996   1.706
  129    HA   SER  13           HA       SER  13  -2.437   5.534   2.677
  130   1HB   SER  13          HB2       SER  13  -0.880   4.506   0.368
  131   2HB   SER  13          HB1       SER  13  -1.567   6.121   0.188
  132    HG   SER  13           HG       SER  13  -0.278   6.859   1.718
  133    H    LYS  14           HN       LYS  14  -3.731   3.377   0.259
  134    HA   LYS  14           HA       LYS  14  -5.387   5.221  -1.092
  135   1HB   LYS  14          HB2       LYS  14  -4.743   2.627  -1.499
  136   2HB   LYS  14          HB1       LYS  14  -6.347   2.432  -0.808
  137   1HG   LYS  14          HG2       LYS  14  -5.865   4.329  -3.072
  138   2HG   LYS  14          HG1       LYS  14  -6.119   2.606  -3.356
  139   1HD   LYS  14          HD2       LYS  14  -8.021   4.267  -1.722
  140   2HD   LYS  14          HD1       LYS  14  -8.171   4.108  -3.473
  141   1HE   LYS  14          HE2       LYS  14  -8.030   1.731  -1.637
  142   2HE   LYS  14          HE1       LYS  14  -9.553   2.516  -2.054
  143   1HZ   LYS  14          HZ1       LYS  14  -9.498   1.712  -4.147
  144   2HZ   LYS  14          HZ2       LYS  14  -8.537   0.511  -3.445
  145   3HZ   LYS  14          HZ3       LYS  14  -7.813   1.795  -4.274
  146    H    ILE  15           HN       ILE  15  -5.836   3.253   1.799
  147    HA   ILE  15           HA       ILE  15  -8.599   3.736   2.129
  148    HB   ILE  15           HB       ILE  15  -6.584   3.246   4.327
  149   1HG1  ILE  15          HG12      ILE  15  -8.127   1.258   2.644
  150   2HG1  ILE  15          HG11      ILE  15  -6.388   1.529   2.587
  151   1HG2  ILE  15          HG21      ILE  15  -9.182   3.928   4.594
  152   2HG2  ILE  15          HG22      ILE  15  -8.308   2.909   5.738
  153   3HG2  ILE  15          HG23      ILE  15  -9.320   2.173   4.495
  154   1HD1  ILE  15          HD11      ILE  15  -7.475  -0.447   3.967
  155   2HD1  ILE  15          HD12      ILE  15  -7.566   0.808   5.203
  156   3HD1  ILE  15          HD13      ILE  15  -6.008   0.376   4.498
  157    H    GLN  16           HN       GLN  16  -5.733   5.554   2.980
  158    HA   GLN  16           HA       GLN  16  -6.977   7.399   4.732
  159   1HB   GLN  16          HB2       GLN  16  -4.539   7.854   3.001
  160   2HB   GLN  16          HB1       GLN  16  -4.982   8.749   4.448
  161   1HG   GLN  16          HG2       GLN  16  -4.530   5.801   4.589
  162   2HG   GLN  16          HG1       GLN  16  -3.163   6.915   4.574
  163   1HE2  GLN  16          HE21      GLN  16  -2.775   8.206   6.338
  164   2HE2  GLN  16          HE22      GLN  16  -3.584   8.000   7.851
  165    H    ASN  17           HN       ASN  17  -6.676   7.169   1.263
  166    HA   ASN  17           HA       ASN  17  -7.417   9.837   0.650
  167   1HB   ASN  17          HB2       ASN  17  -6.283   8.348  -0.963
  168   2HB   ASN  17          HB1       ASN  17  -7.724   7.338  -1.030
  169   1HD2  ASN  17          HD21      ASN  17  -9.170   7.777  -2.535
  170   2HD2  ASN  17          HD22      ASN  17  -9.267   9.241  -3.447
  171    H    TRP  18           HN       TRP  18  -9.211   6.905   1.323
  172    HA   TRP  18           HA       TRP  18 -11.733   7.908   0.420
  173   1HB   TRP  18          HB2       TRP  18 -10.869   5.429   0.917
  174   2HB   TRP  18          HB1       TRP  18 -11.615   5.759   2.478
  175    HD1  TRP  18           HD1      TRP  18 -12.982   6.852  -0.971
  176    HE1  TRP  18           HE1      TRP  18 -15.322   5.822  -1.266
  177    HE3  TRP  18           HE3      TRP  18 -13.165   4.024   3.284
  178    HZ2  TRP  18           HZ2      TRP  18 -17.021   4.045   0.122
  179    HZ3  TRP  18           HZ3      TRP  18 -15.184   2.689   3.726
  180    HH2  TRP  18           HH2      TRP  18 -17.071   2.701   2.177
  181    H    LYS  19           HN       LYS  19  -9.944   8.015   3.411
  182    HA   LYS  19           HA       LYS  19 -12.137   8.782   5.067
  183   1HB   LYS  19          HB2       LYS  19  -9.544   7.966   5.514
  184   2HB   LYS  19          HB1       LYS  19  -9.484   9.671   5.941
  185   1HG   LYS  19          HG2       LYS  19 -11.488   9.252   7.412
  186   2HG   LYS  19          HG1       LYS  19 -11.227   7.531   7.126
  187   1HD   LYS  19          HD2       LYS  19  -9.845   7.592   8.880
  188   2HD   LYS  19          HD1       LYS  19  -8.720   8.451   7.827
  189   1HE   LYS  19          HE2       LYS  19 -10.847   9.924   9.340
  190   2HE   LYS  19          HE1       LYS  19  -9.327   9.483  10.117
  191   1HZ   LYS  19          HZ1       LYS  19  -8.137  10.908   8.809
  192   2HZ   LYS  19          HZ2       LYS  19  -9.593  11.764   8.912
  193   3HZ   LYS  19          HZ3       LYS  19  -9.241  10.859   7.527
  194   1HN   NH2  20          NH1       NH2  20 -11.286  10.973   6.443
  195   2HN   NH2  20          NH2       NH2  20 -11.334  12.372   5.432
  Start of MODEL    7
    1   1H    ALA   1          HT1       ALA   1  10.448  -9.355  -8.743
    2   2H    ALA   1          HT2       ALA   1   9.794 -10.524  -7.669
    3   3H    ALA   1          HT3       ALA   1  11.465 -10.134  -7.603
    4    HA   ALA   1           HA       ALA   1  11.105  -8.102  -6.688
    5   1HB   ALA   1          HB1       ALA   1   8.418  -8.388  -7.916
    6   2HB   ALA   1          HB2       ALA   1   9.519  -7.011  -7.908
    7   3HB   ALA   1          HB3       ALA   1   8.567  -7.387  -6.472
    8    H    LYS   2           HN       LYS   2  11.666  -8.887  -4.735
    9    HA   LYS   2           HA       LYS   2   9.728 -10.490  -3.238
   10   1HB   LYS   2          HB2       LYS   2  12.039 -11.337  -3.428
   11   2HB   LYS   2          HB1       LYS   2  12.624  -9.891  -2.617
   12   1HG   LYS   2          HG2       LYS   2  11.917 -10.580  -0.572
   13   2HG   LYS   2          HG1       LYS   2  10.555 -11.491  -1.227
   14   1HD   LYS   2          HD2       LYS   2  13.343 -12.406  -1.784
   15   2HD   LYS   2          HD1       LYS   2  12.615 -12.742  -0.212
   16   1HE   LYS   2          HE2       LYS   2  10.730 -13.841  -1.326
   17   2HE   LYS   2          HE1       LYS   2  11.466 -13.509  -2.894
   18   1HZ   LYS   2          HZ1       LYS   2  12.250 -15.451  -0.846
   19   2HZ   LYS   2          HZ2       LYS   2  13.465 -14.776  -1.809
   20   3HZ   LYS   2          HZ3       LYS   2  12.190 -15.623  -2.528
   21    H    LYS   3           HN       LYS   3  10.507  -7.293  -3.582
   22    HA   LYS   3           HA       LYS   3   9.758  -6.684  -0.789
   23   1HB   LYS   3          HB2       LYS   3  12.060  -5.913  -1.763
   24   2HB   LYS   3          HB1       LYS   3  11.104  -4.697  -2.600
   25   1HG   LYS   3          HG2       LYS   3  10.488  -3.640  -0.635
   26   2HG   LYS   3          HG1       LYS   3  10.828  -5.062   0.353
   27   1HD   LYS   3          HD2       LYS   3  12.729  -3.973   0.863
   28   2HD   LYS   3          HD1       LYS   3  13.278  -4.560  -0.708
   29   1HE   LYS   3          HE2       LYS   3  13.404  -2.489  -1.511
   30   2HE   LYS   3          HE1       LYS   3  11.751  -2.136  -1.007
   31   1HZ   LYS   3          HZ1       LYS   3  12.831  -0.660   0.294
   32   2HZ   LYS   3          HZ2       LYS   3  14.268  -1.549   0.336
   33   3HZ   LYS   3          HZ3       LYS   3  12.972  -1.992   1.328
   34    H    VAL   4           HN       VAL   4   7.864  -7.339  -2.718
   35    HA   VAL   4           HA       VAL   4   6.651  -5.010  -3.836
   36    HB   VAL   4           HB       VAL   4   5.231  -7.550  -3.006
   37   1HG1  VAL   4          HG11      VAL   4   4.006  -6.720  -5.253
   38   2HG1  VAL   4          HG12      VAL   4   4.521  -5.168  -4.593
   39   3HG1  VAL   4          HG13      VAL   4   3.502  -6.239  -3.633
   40   1HG2  VAL   4          HG21      VAL   4   6.731  -6.946  -5.550
   41   2HG2  VAL   4          HG22      VAL   4   5.611  -8.294  -5.355
   42   3HG2  VAL   4          HG23      VAL   4   7.079  -8.218  -4.380
   43    H    PHE   5           HN       PHE   5   7.127  -6.181  -0.769
   44    HA   PHE   5           HA       PHE   5   4.990  -5.652   0.786
   45   1HB   PHE   5          HB2       PHE   5   7.219  -6.556   1.477
   46   2HB   PHE   5          HB1       PHE   5   7.850  -4.919   1.411
   47    HD1  PHE   5           HD1      PHE   5   7.173  -3.255   3.068
   48    HD2  PHE   5           HD2      PHE   5   5.805  -7.279   3.283
   49    HE1  PHE   5           HE1      PHE   5   6.476  -2.889   5.400
   50    HE2  PHE   5           HE2      PHE   5   5.105  -6.921   5.615
   51    HZ   PHE   5           HZ       PHE   5   5.440  -4.723   6.676
   52    H    LYS   6           HN       LYS   6   6.977  -3.403  -0.843
   53    HA   LYS   6           HA       LYS   6   6.279  -1.073   0.610
   54   1HB   LYS   6          HB2       LYS   6   8.155  -1.546  -1.228
   55   2HB   LYS   6          HB1       LYS   6   6.924  -0.883  -2.295
   56   1HG   LYS   6          HG2       LYS   6   7.227   1.206  -1.550
   57   2HG   LYS   6          HG1       LYS   6   7.387   0.690   0.130
   58   1HD   LYS   6          HD2       LYS   6   9.670   0.228  -0.109
   59   2HD   LYS   6          HD1       LYS   6   9.569   0.193  -1.871
   60   1HE   LYS   6          HE2       LYS   6   9.755   2.434  -2.054
   61   2HE   LYS   6          HE1       LYS   6   8.785   2.735  -0.613
   62   1HZ   LYS   6          HZ1       LYS   6  10.599   2.638   0.742
   63   2HZ   LYS   6          HZ2       LYS   6  11.337   3.243  -0.655
   64   3HZ   LYS   6          HZ3       LYS   6  11.465   1.599  -0.275
   65    H    ARG   7           HN       ARG   7   4.916  -2.708  -2.195
   66    HA   ARG   7           HA       ARG   7   3.031  -0.755  -2.916
   67   1HB   ARG   7          HB2       ARG   7   3.684  -3.389  -3.712
   68   2HB   ARG   7          HB1       ARG   7   1.970  -3.398  -3.319
   69   1HG   ARG   7          HG2       ARG   7   2.663  -1.079  -4.889
   70   2HG   ARG   7          HG1       ARG   7   3.148  -2.571  -5.697
   71   1HD   ARG   7          HD2       ARG   7   0.512  -2.808  -4.529
   72   2HD   ARG   7          HD1       ARG   7   0.603  -1.440  -5.638
   73    HE   ARG   7           HE       ARG   7   0.731  -4.236  -6.311
   74   1HH1  ARG   7          HH11      ARG   7   1.526  -0.996  -7.336
   75   2HH1  ARG   7          HH12      ARG   7   1.576  -1.406  -9.018
   76   1HH2  ARG   7          HH21      ARG   7   0.797  -4.778  -8.522
   77   2HH2  ARG   7          HH22      ARG   7   1.162  -3.553  -9.691
   78    H    LEU   8           HN       LEU   8   3.032  -3.260  -0.462
   79    HA   LEU   8           HA       LEU   8   0.306  -3.221   0.200
   80   1HB   LEU   8          HB2       LEU   8   2.417  -4.668   1.034
   81   2HB   LEU   8          HB1       LEU   8   2.270  -3.569   2.392
   82    HG   LEU   8           HG       LEU   8  -0.111  -4.276   2.639
   83   1HD1  LEU   8          HD11      LEU   8   0.071  -5.210   0.127
   84   2HD1  LEU   8          HD12      LEU   8  -1.116  -5.784   1.297
   85   3HD1  LEU   8          HD13      LEU   8   0.368  -6.698   1.026
   86   1HD2  LEU   8          HD21      LEU   8   1.100  -5.375   4.204
   87   2HD2  LEU   8          HD22      LEU   8   2.243  -6.022   3.026
   88   3HD2  LEU   8          HD23      LEU   8   0.659  -6.772   3.222
   89    H    GLU   9           HN       GLU   9   3.023  -1.243   1.304
   90    HA   GLU   9           HA       GLU   9   1.530   0.205   3.244
   91   1HB   GLU   9          HB2       GLU   9   3.999   1.158   1.785
   92   2HB   GLU   9          HB1       GLU   9   3.419   1.689   3.357
   93   1HG   GLU   9          HG2       GLU   9   3.779  -0.691   4.139
   94   2HG   GLU   9          HG1       GLU   9   4.649  -0.948   2.627
   95    H    LYS  10           HN       LYS  10   2.054   0.516  -0.187
   96    HA   LYS  10           HA       LYS  10   1.066   3.175  -0.437
   97   1HB   LYS  10          HB2       LYS  10   1.153   0.982  -2.520
   98   2HB   LYS  10          HB1       LYS  10   0.957   2.701  -2.830
   99   1HG   LYS  10          HG2       LYS  10   3.270   2.688  -1.414
  100   2HG   LYS  10          HG1       LYS  10   3.376   1.147  -2.267
  101   1HD   LYS  10          HD2       LYS  10   3.576   2.134  -4.297
  102   2HD   LYS  10          HD1       LYS  10   2.506   3.471  -3.870
  103   1HE   LYS  10          HE2       LYS  10   4.210   4.775  -3.228
  104   2HE   LYS  10          HE1       LYS  10   5.013   3.459  -2.373
  105   1HZ   LYS  10          HZ1       LYS  10   5.895   2.668  -4.466
  106   2HZ   LYS  10          HZ2       LYS  10   6.335   4.284  -4.231
  107   3HZ   LYS  10          HZ3       LYS  10   5.092   3.895  -5.310
  108    H    LEU  11           HN       LEU  11  -0.360  -0.026  -0.438
  109    HA   LEU  11           HA       LEU  11  -2.918   0.717  -1.395
  110   1HB   LEU  11          HB2       LEU  11  -1.635  -1.649  -0.519
  111   2HB   LEU  11          HB1       LEU  11  -3.081  -1.472   0.456
  112    HG   LEU  11           HG       LEU  11  -3.279  -1.203  -2.516
  113   1HD1  LEU  11          HD11      LEU  11  -2.228  -3.236  -2.582
  114   2HD1  LEU  11          HD12      LEU  11  -3.898  -3.744  -2.330
  115   3HD1  LEU  11          HD13      LEU  11  -2.776  -3.697  -0.970
  116   1HD2  LEU  11          HD21      LEU  11  -5.067  -1.681  -0.212
  117   2HD2  LEU  11          HD22      LEU  11  -5.456  -2.531  -1.708
  118   3HD2  LEU  11          HD23      LEU  11  -5.344  -0.771  -1.698
  119    H    PHE  12           HN       PHE  12  -1.431   0.686   1.789
  120    HA   PHE  12           HA       PHE  12  -3.798   1.136   3.276
  121   1HB   PHE  12          HB2       PHE  12  -1.560   0.374   4.194
  122   2HB   PHE  12          HB1       PHE  12  -1.016   2.041   4.036
  123    HD1  PHE  12           HD1      PHE  12  -1.148   3.369   5.897
  124    HD2  PHE  12           HD2      PHE  12  -3.888   0.141   5.477
  125    HE1  PHE  12           HE1      PHE  12  -2.089   3.886   8.110
  126    HE2  PHE  12           HE2      PHE  12  -4.835   0.652   7.690
  127    HZ   PHE  12           HZ       PHE  12  -3.936   2.527   9.009
  128    H    SER  13           HN       SER  13  -1.584   3.220   1.553
  129    HA   SER  13           HA       SER  13  -2.459   5.683   2.637
  130   1HB   SER  13          HB2       SER  13  -1.382   5.295  -0.159
  131   2HB   SER  13          HB1       SER  13  -1.249   6.723   0.867
  132    HG   SER  13           HG       SER  13   0.096   4.253   1.082
  133    H    LYS  14           HN       LYS  14  -3.641   3.602   0.088
  134    HA   LYS  14           HA       LYS  14  -5.387   5.457  -1.139
  135   1HB   LYS  14          HB2       LYS  14  -4.589   2.938  -1.736
  136   2HB   LYS  14          HB1       LYS  14  -6.197   2.612  -1.106
  137   1HG   LYS  14          HG2       LYS  14  -6.850   4.580  -2.742
  138   2HG   LYS  14          HG1       LYS  14  -5.375   4.061  -3.559
  139   1HD   LYS  14          HD2       LYS  14  -6.260   2.060  -4.179
  140   2HD   LYS  14          HD1       LYS  14  -7.277   1.943  -2.741
  141   1HE   LYS  14          HE2       LYS  14  -8.958   2.436  -4.139
  142   2HE   LYS  14          HE1       LYS  14  -8.367   4.091  -4.011
  143   1HZ   LYS  14          HZ1       LYS  14  -8.003   4.052  -6.181
  144   2HZ   LYS  14          HZ2       LYS  14  -8.464   2.428  -6.282
  145   3HZ   LYS  14          HZ3       LYS  14  -6.851   2.830  -5.972
  146    H    ILE  15           HN       ILE  15  -5.704   3.295   1.613
  147    HA   ILE  15           HA       ILE  15  -8.507   3.574   1.938
  148    HB   ILE  15           HB       ILE  15  -6.488   2.999   4.110
  149   1HG1  ILE  15          HG12      ILE  15  -7.879   1.083   2.223
  150   2HG1  ILE  15          HG11      ILE  15  -6.160   1.467   2.222
  151   1HG2  ILE  15          HG21      ILE  15  -8.222   2.213   5.399
  152   2HG2  ILE  15          HG22      ILE  15  -9.259   1.900   4.007
  153   3HG2  ILE  15          HG23      ILE  15  -9.001   3.555   4.560
  154   1HD1  ILE  15          HD11      ILE  15  -7.632  -0.435   3.819
  155   2HD1  ILE  15          HD12      ILE  15  -6.658   0.648   4.813
  156   3HD1  ILE  15          HD13      ILE  15  -5.897  -0.298   3.533
  157    H    GLN  16           HN       GLN  16  -5.743   5.453   2.971
  158    HA   GLN  16           HA       GLN  16  -7.126   7.072   4.856
  159   1HB   GLN  16          HB2       GLN  16  -4.479   6.744   4.063
  160   2HB   GLN  16          HB1       GLN  16  -4.868   8.383   3.559
  161   1HG   GLN  16          HG2       GLN  16  -5.328   9.072   5.740
  162   2HG   GLN  16          HG1       GLN  16  -5.483   7.417   6.325
  163   1HE2  GLN  16          HE21      GLN  16  -3.880   6.883   7.606
  164   2HE2  GLN  16          HE22      GLN  16  -2.228   7.357   7.434
  165    H    ASN  17           HN       ASN  17  -6.660   7.180   1.398
  166    HA   ASN  17           HA       ASN  17  -7.530   9.874   1.043
  167   1HB   ASN  17          HB2       ASN  17  -6.140   8.637  -0.615
  168   2HB   ASN  17          HB1       ASN  17  -7.528   7.613  -0.968
  169   1HD2  ASN  17          HD21      ASN  17  -6.530   8.815  -3.055
  170   2HD2  ASN  17          HD22      ASN  17  -7.485  10.164  -3.560
  171    H    TRP  18           HN       TRP  18  -9.110   6.774   1.284
  172    HA   TRP  18           HA       TRP  18 -11.640   7.715   0.285
  173   1HB   TRP  18          HB2       TRP  18 -10.739   5.299   0.237
  174   2HB   TRP  18          HB1       TRP  18 -11.239   5.221   1.924
  175    HD1  TRP  18           HD1      TRP  18 -13.033   6.512  -1.282
  176    HE1  TRP  18           HE1      TRP  18 -15.390   5.479  -1.328
  177    HE3  TRP  18           HE3      TRP  18 -12.777   3.713   2.989
  178    HZ2  TRP  18           HZ2      TRP  18 -16.937   3.713   0.239
  179    HZ3  TRP  18           HZ3      TRP  18 -14.739   2.381   3.645
  180    HH2  TRP  18           HH2      TRP  18 -16.775   2.382   2.298
  181    H    LYS  19           HN       LYS  19 -10.068   7.422   3.386
  182    HA   LYS  19           HA       LYS  19 -12.361   7.642   5.022
  183   1HB   LYS  19          HB2       LYS  19 -10.182   6.864   5.859
  184   2HB   LYS  19          HB1       LYS  19  -9.512   8.470   5.606
  185   1HG   LYS  19          HG2       LYS  19 -10.964   9.395   7.285
  186   2HG   LYS  19          HG1       LYS  19 -11.790   7.847   7.472
  187   1HD   LYS  19          HD2       LYS  19  -8.878   7.722   7.809
  188   2HD   LYS  19          HD1       LYS  19  -9.713   8.704   9.015
  189   1HE   LYS  19          HE2       LYS  19 -10.964   6.110   8.407
  190   2HE   LYS  19          HE1       LYS  19  -9.386   6.023   9.189
  191   1HZ   LYS  19          HZ1       LYS  19 -11.783   7.459  10.191
  192   2HZ   LYS  19          HZ2       LYS  19 -10.255   7.535  10.912
  193   3HZ   LYS  19          HZ3       LYS  19 -11.088   6.064  10.851
  194   1HN   NH2  20          NH1       NH2  20 -10.263  10.007   3.513
  195   2HN   NH2  20          NH2       NH2  20 -11.190  11.400   3.945
  Start of MODEL    8
    1   1H    ALA   1          HT1       ALA   1   9.240  -8.373  -5.426
    2   2H    ALA   1          HT2       ALA   1   8.028  -8.390  -4.211
    3   3H    ALA   1          HT3       ALA   1   7.641  -8.850  -5.818
    4    HA   ALA   1           HA       ALA   1   7.810 -10.833  -4.791
    5   1HB   ALA   1          HB1       ALA   1  10.686 -10.529  -5.551
    6   2HB   ALA   1          HB2       ALA   1   9.422 -10.411  -6.775
    7   3HB   ALA   1          HB3       ALA   1   9.593 -11.886  -5.824
    8    H    LYS   2           HN       LYS   2  10.892  -9.246  -3.936
    9    HA   LYS   2           HA       LYS   2  10.866 -10.656  -1.382
   10   1HB   LYS   2          HB2       LYS   2  13.177  -9.928  -1.158
   11   2HB   LYS   2          HB1       LYS   2  12.926 -10.687  -2.724
   12   1HG   LYS   2          HG2       LYS   2  14.033  -8.898  -3.491
   13   2HG   LYS   2          HG1       LYS   2  12.465  -8.101  -3.351
   14   1HD   LYS   2          HD2       LYS   2  13.721  -6.610  -2.176
   15   2HD   LYS   2          HD1       LYS   2  13.321  -7.719  -0.863
   16   1HE   LYS   2          HE2       LYS   2  15.549  -7.718  -0.529
   17   2HE   LYS   2          HE1       LYS   2  15.542  -8.900  -1.837
   18   1HZ   LYS   2          HZ1       LYS   2  17.100  -6.831  -1.926
   19   2HZ   LYS   2          HZ2       LYS   2  15.717  -6.048  -2.507
   20   3HZ   LYS   2          HZ3       LYS   2  16.340  -7.386  -3.333
   21    H    LYS   3           HN       LYS   3   9.701  -7.782  -2.524
   22    HA   LYS   3           HA       LYS   3   9.173  -6.742   0.052
   23   1HB   LYS   3          HB2       LYS   3  11.654  -6.161  -0.308
   24   2HB   LYS   3          HB1       LYS   3  11.088  -5.022  -1.521
   25   1HG   LYS   3          HG2       LYS   3   9.785  -3.846   0.153
   26   2HG   LYS   3          HG1       LYS   3  10.275  -5.017   1.379
   27   1HD   LYS   3          HD2       LYS   3  12.641  -4.071   0.169
   28   2HD   LYS   3          HD1       LYS   3  11.634  -2.657   0.484
   29   1HE   LYS   3          HE2       LYS   3  11.716  -4.586   2.686
   30   2HE   LYS   3          HE1       LYS   3  13.279  -3.865   2.303
   31   1HZ   LYS   3          HZ1       LYS   3  12.517  -2.275   3.685
   32   2HZ   LYS   3          HZ2       LYS   3  10.888  -2.632   3.409
   33   3HZ   LYS   3          HZ3       LYS   3  11.750  -1.703   2.289
   34    H    VAL   4           HN       VAL   4   7.700  -7.385  -2.217
   35    HA   VAL   4           HA       VAL   4   6.942  -5.070  -3.693
   36    HB   VAL   4           HB       VAL   4   6.322  -7.319  -4.474
   37   1HG1  VAL   4          HG11      VAL   4   5.966  -8.376  -2.308
   38   2HG1  VAL   4          HG12      VAL   4   4.561  -8.595  -3.351
   39   3HG1  VAL   4          HG13      VAL   4   4.519  -7.398  -2.057
   40   1HG2  VAL   4          HG21      VAL   4   3.629  -6.286  -3.976
   41   2HG2  VAL   4          HG22      VAL   4   4.478  -6.558  -5.497
   42   3HG2  VAL   4          HG23      VAL   4   4.764  -5.079  -4.580
   43    H    PHE   5           HN       PHE   5   6.628  -6.077  -0.535
   44    HA   PHE   5           HA       PHE   5   4.281  -5.229   0.484
   45   1HB   PHE   5          HB2       PHE   5   6.218  -6.297   1.678
   46   2HB   PHE   5          HB1       PHE   5   6.992  -4.720   1.706
   47    HD1  PHE   5           HD1      PHE   5   6.528  -3.194   3.412
   48    HD2  PHE   5           HD2      PHE   5   3.961  -6.539   2.835
   49    HE1  PHE   5           HE1      PHE   5   5.360  -2.655   5.510
   50    HE2  PHE   5           HE2      PHE   5   2.788  -6.006   4.931
   51    HZ   PHE   5           HZ       PHE   5   3.487  -4.062   6.272
   52    H    LYS   6           HN       LYS   6   6.812  -3.317  -0.775
   53    HA   LYS   6           HA       LYS   6   6.127  -0.827   0.375
   54   1HB   LYS   6          HB2       LYS   6   8.220  -1.690  -1.105
   55   2HB   LYS   6          HB1       LYS   6   7.310  -0.835  -2.342
   56   1HG   LYS   6          HG2       LYS   6   7.668   1.204  -1.399
   57   2HG   LYS   6          HG1       LYS   6   7.769   0.553   0.238
   58   1HD   LYS   6          HD2       LYS   6   9.990   0.426   0.119
   59   2HD   LYS   6          HD1       LYS   6   9.912  -0.470  -1.398
   60   1HE   LYS   6          HE2       LYS   6  11.160   1.575  -1.719
   61   2HE   LYS   6          HE1       LYS   6   9.641   1.657  -2.611
   62   1HZ   LYS   6          HZ1       LYS   6  10.293   2.988  -0.042
   63   2HZ   LYS   6          HZ2       LYS   6   8.728   2.918  -0.682
   64   3HZ   LYS   6          HZ3       LYS   6   9.951   3.725  -1.527
   65    H    ARG   7           HN       ARG   7   5.196  -2.454  -2.623
   66    HA   ARG   7           HA       ARG   7   3.698  -0.341  -3.725
   67   1HB   ARG   7          HB2       ARG   7   3.978  -3.236  -4.184
   68   2HB   ARG   7          HB1       ARG   7   2.411  -2.577  -4.637
   69   1HG   ARG   7          HG2       ARG   7   3.901  -0.759  -5.827
   70   2HG   ARG   7          HG1       ARG   7   5.097  -2.056  -5.790
   71   1HD   ARG   7          HD2       ARG   7   4.085  -3.135  -7.453
   72   2HD   ARG   7          HD1       ARG   7   2.523  -3.047  -6.638
   73    HE   ARG   7           HE       ARG   7   2.923  -0.544  -7.671
   74   1HH1  ARG   7          HH11      ARG   7   2.803  -3.777  -8.979
   75   2HH1  ARG   7          HH12      ARG   7   2.200  -3.266 -10.519
   76   1HH2  ARG   7          HH21      ARG   7   2.129   0.130  -9.697
   77   2HH2  ARG   7          HH22      ARG   7   1.817  -1.048 -10.928
   78    H    LEU   8           HN       LEU   8   2.952  -2.795  -1.342
   79    HA   LEU   8           HA       LEU   8   0.149  -2.436  -1.305
   80   1HB   LEU   8          HB2       LEU   8   2.162  -3.611   0.561
   81   2HB   LEU   8          HB1       LEU   8   0.546  -3.294   1.164
   82    HG   LEU   8           HG       LEU   8   0.664  -4.774  -1.385
   83   1HD1  LEU   8          HD11      LEU   8   2.508  -5.879  -0.400
   84   2HD1  LEU   8          HD12      LEU   8   1.106  -6.915  -0.129
   85   3HD1  LEU   8          HD13      LEU   8   1.732  -5.916   1.183
   86   1HD2  LEU   8          HD21      LEU   8  -1.469  -4.765  -0.637
   87   2HD2  LEU   8          HD22      LEU   8  -0.992  -4.607   1.053
   88   3HD2  LEU   8          HD23      LEU   8  -0.919  -6.180   0.260
   89    H    GLU   9           HN       GLU   9   2.810  -0.707   0.135
   90    HA   GLU   9           HA       GLU   9   1.299   0.725   2.065
   91   1HB   GLU   9          HB2       GLU   9   3.942   0.443   1.629
   92   2HB   GLU   9          HB1       GLU   9   3.694   2.009   0.868
   93   1HG   GLU   9          HG2       GLU   9   2.832   2.929   2.908
   94   2HG   GLU   9          HG1       GLU   9   2.872   1.347   3.685
   95    H    LYS  10           HN       LYS  10   1.961   1.158  -1.337
   96    HA   LYS  10           HA       LYS  10   1.066   3.857  -1.495
   97   1HB   LYS  10          HB2       LYS  10   1.078   1.814  -3.723
   98   2HB   LYS  10          HB1       LYS  10   1.117   3.565  -3.884
   99   1HG   LYS  10          HG2       LYS  10   3.336   3.659  -2.983
  100   2HG   LYS  10          HG1       LYS  10   3.300   1.936  -2.604
  101   1HD   LYS  10          HD2       LYS  10   3.469   1.313  -4.834
  102   2HD   LYS  10          HD1       LYS  10   2.880   2.871  -5.416
  103   1HE   LYS  10          HE2       LYS  10   4.921   3.865  -5.239
  104   2HE   LYS  10          HE1       LYS  10   5.410   2.863  -3.873
  105   1HZ   LYS  10          HZ1       LYS  10   5.470   0.988  -5.598
  106   2HZ   LYS  10          HZ2       LYS  10   6.730   2.116  -5.604
  107   3HZ   LYS  10          HZ3       LYS  10   5.493   2.226  -6.752
  108    H    LEU  11           HN       LEU  11  -0.470   0.720  -2.199
  109    HA   LEU  11           HA       LEU  11  -2.996   1.878  -2.831
  110   1HB   LEU  11          HB2       LEU  11  -3.868  -0.424  -2.606
  111   2HB   LEU  11          HB1       LEU  11  -2.466  -0.327  -3.654
  112    HG   LEU  11           HG       LEU  11  -1.134  -1.010  -1.528
  113   1HD1  LEU  11          HD11      LEU  11  -2.864  -2.708  -0.347
  114   2HD1  LEU  11          HD12      LEU  11  -3.932  -1.348  -0.689
  115   3HD1  LEU  11          HD13      LEU  11  -2.476  -1.104   0.275
  116   1HD2  LEU  11          HD21      LEU  11  -2.693  -2.614  -3.446
  117   2HD2  LEU  11          HD22      LEU  11  -2.083  -3.478  -2.035
  118   3HD2  LEU  11          HD23      LEU  11  -0.964  -2.622  -3.096
  119    H    PHE  12           HN       PHE  12  -1.374   0.984   0.096
  120    HA   PHE  12           HA       PHE  12  -3.698   0.916   1.757
  121   1HB   PHE  12          HB2       PHE  12  -1.517  -0.182   2.332
  122   2HB   PHE  12          HB1       PHE  12  -0.826   1.419   2.571
  123    HD1  PHE  12           HD1      PHE  12  -3.712  -0.652   3.703
  124    HD2  PHE  12           HD2      PHE  12  -0.816   2.305   4.691
  125    HE1  PHE  12           HE1      PHE  12  -4.496  -0.669   6.035
  126    HE2  PHE  12           HE2      PHE  12  -1.594   2.294   7.025
  127    HZ   PHE  12           HZ       PHE  12  -3.436   0.805   7.700
  128    H    SER  13           HN       SER  13  -1.507   3.367   0.586
  129    HA   SER  13           HA       SER  13  -2.191   5.405   2.431
  130   1HB   SER  13          HB2       SER  13  -0.306   5.173   0.485
  131   2HB   SER  13          HB1       SER  13  -1.465   6.237  -0.314
  132    HG   SER  13           HG       SER  13   0.307   7.119   1.174
  133    H    LYS  14           HN       LYS  14  -3.573   4.310  -0.612
  134    HA   LYS  14           HA       LYS  14  -5.341   6.496  -0.978
  135   1HB   LYS  14          HB2       LYS  14  -5.578   3.639  -1.946
  136   2HB   LYS  14          HB1       LYS  14  -6.539   4.990  -2.530
  137   1HG   LYS  14          HG2       LYS  14  -3.676   5.486  -2.685
  138   2HG   LYS  14          HG1       LYS  14  -4.190   4.082  -3.621
  139   1HD   LYS  14          HD2       LYS  14  -6.019   6.289  -3.974
  140   2HD   LYS  14          HD1       LYS  14  -4.367   6.770  -4.364
  141   1HE   LYS  14          HE2       LYS  14  -5.520   5.911  -6.334
  142   2HE   LYS  14          HE1       LYS  14  -4.168   4.871  -5.886
  143   1HZ   LYS  14          HZ1       LYS  14  -5.710   3.271  -6.117
  144   2HZ   LYS  14          HZ2       LYS  14  -7.016   4.316  -5.867
  145   3HZ   LYS  14          HZ3       LYS  14  -6.152   3.713  -4.544
  146    H    ILE  15           HN       ILE  15  -5.591   3.423   0.719
  147    HA   ILE  15           HA       ILE  15  -8.351   3.606   1.332
  148    HB   ILE  15           HB       ILE  15  -6.216   2.163   2.913
  149   1HG1  ILE  15          HG12      ILE  15  -7.937   1.099   0.664
  150   2HG1  ILE  15          HG11      ILE  15  -6.249   1.563   0.486
  151   1HG2  ILE  15          HG21      ILE  15  -8.437   0.660   3.144
  152   2HG2  ILE  15          HG22      ILE  15  -9.160   2.264   3.023
  153   3HG2  ILE  15          HG23      ILE  15  -7.985   1.920   4.292
  154   1HD1  ILE  15          HD11      ILE  15  -7.279  -0.605   2.298
  155   2HD1  ILE  15          HD12      ILE  15  -5.590  -0.162   2.055
  156   3HD1  ILE  15          HD13      ILE  15  -6.522  -0.848   0.725
  157    H    GLN  16           HN       GLN  16  -5.457   4.931   2.753
  158    HA   GLN  16           HA       GLN  16  -6.584   5.655   5.259
  159   1HB   GLN  16          HB2       GLN  16  -4.051   5.661   4.175
  160   2HB   GLN  16          HB1       GLN  16  -4.423   7.377   4.277
  161   1HG   GLN  16          HG2       GLN  16  -5.118   6.866   6.698
  162   2HG   GLN  16          HG1       GLN  16  -4.229   5.360   6.477
  163   1HE2  GLN  16          HE21      GLN  16  -1.976   5.497   5.940
  164   2HE2  GLN  16          HE22      GLN  16  -1.049   6.862   6.452
  165    H    ASN  17           HN       ASN  17  -6.460   7.144   2.096
  166    HA   ASN  17           HA       ASN  17  -7.298   9.737   2.940
  167   1HB   ASN  17          HB2       ASN  17  -6.293   8.702   0.608
  168   2HB   ASN  17          HB1       ASN  17  -7.985   8.953   0.189
  169   1HD2  ASN  17          HD21      ASN  17  -5.654  10.320  -0.823
  170   2HD2  ASN  17          HD22      ASN  17  -5.867  11.995  -0.457
  171    H    TRP  18           HN       TRP  18  -8.939   6.822   1.855
  172    HA   TRP  18           HA       TRP  18 -11.534   8.110   1.851
  173   1HB   TRP  18          HB2       TRP  18 -10.430   5.783   0.676
  174   2HB   TRP  18          HB1       TRP  18 -11.712   5.244   1.757
  175    HD1  TRP  18           HD1      TRP  18 -11.138   7.284  -1.426
  176    HE1  TRP  18           HE1      TRP  18 -13.399   7.614  -2.611
  177    HE3  TRP  18           HE3      TRP  18 -14.229   5.378   2.174
  178    HZ2  TRP  18           HZ2      TRP  18 -16.131   7.131  -2.089
  179    HZ3  TRP  18           HZ3      TRP  18 -16.653   5.349   1.752
  180    HH2  TRP  18           HH2      TRP  18 -17.583   6.208  -0.336
  181    H    LYS  19           HN       LYS  19  -9.585   6.176   3.985
  182    HA   LYS  19           HA       LYS  19 -11.523   5.150   5.700
  183   1HB   LYS  19          HB2       LYS  19  -8.645   5.898   6.020
  184   2HB   LYS  19          HB1       LYS  19  -9.578   5.469   7.447
  185   1HG   LYS  19          HG2       LYS  19  -9.804   3.612   5.176
  186   2HG   LYS  19          HG1       LYS  19  -8.219   3.700   5.946
  187   1HD   LYS  19          HD2       LYS  19  -9.018   2.267   7.460
  188   2HD   LYS  19          HD1       LYS  19  -9.980   3.611   8.078
  189   1HE   LYS  19          HE2       LYS  19 -11.485   2.737   5.965
  190   2HE   LYS  19          HE1       LYS  19 -10.803   1.234   6.584
  191   1HZ   LYS  19          HZ1       LYS  19 -12.705   1.455   7.827
  192   2HZ   LYS  19          HZ2       LYS  19 -12.602   3.140   7.917
  193   3HZ   LYS  19          HZ3       LYS  19 -11.570   2.180   8.852
  194   1HN   NH2  20          NH1       NH2  20 -11.380   5.957   8.166
  195   2HN   NH2  20          NH2       NH2  20 -11.872   7.600   8.371
  Start of MODEL    9
    1   1H    ALA   1          HT1       ALA   1  13.413 -10.540  -2.692
    2   2H    ALA   1          HT2       ALA   1  14.114 -11.114  -4.150
    3   3H    ALA   1          HT3       ALA   1  12.617 -11.753  -3.604
    4    HA   ALA   1           HA       ALA   1  12.948  -8.907  -4.179
    5   1HB   ALA   1          HB1       ALA   1  12.609 -11.167  -6.099
    6   2HB   ALA   1          HB2       ALA   1  13.583  -9.704  -6.245
    7   3HB   ALA   1          HB3       ALA   1  11.831  -9.619  -6.424
    8    H    LYS   2           HN       LYS   2  11.478 -10.404  -2.155
    9    HA   LYS   2           HA       LYS   2   8.714 -10.232  -3.104
   10   1HB   LYS   2          HB2       LYS   2   9.915 -12.100  -1.540
   11   2HB   LYS   2          HB1       LYS   2   9.239 -11.039  -0.312
   12   1HG   LYS   2          HG2       LYS   2   7.041 -11.249  -1.606
   13   2HG   LYS   2          HG1       LYS   2   7.810 -12.613  -2.422
   14   1HD   LYS   2          HD2       LYS   2   8.035 -12.613   0.512
   15   2HD   LYS   2          HD1       LYS   2   6.398 -12.808  -0.117
   16   1HE   LYS   2          HE2       LYS   2   8.742 -14.451  -1.052
   17   2HE   LYS   2          HE1       LYS   2   7.681 -14.942   0.268
   18   1HZ   LYS   2          HZ1       LYS   2   6.541 -15.921  -1.378
   19   2HZ   LYS   2          HZ2       LYS   2   7.197 -14.935  -2.586
   20   3HZ   LYS   2          HZ3       LYS   2   5.907 -14.375  -1.647
   21    H    LYS   3           HN       LYS   3  10.123  -7.807  -2.837
   22    HA   LYS   3           HA       LYS   3   9.054  -6.616  -0.371
   23   1HB   LYS   3          HB2       LYS   3  11.492  -6.291  -1.565
   24   2HB   LYS   3          HB1       LYS   3  10.611  -4.914  -2.212
   25   1HG   LYS   3          HG2       LYS   3  11.580  -4.053  -0.302
   26   2HG   LYS   3          HG1       LYS   3   9.954  -4.470   0.244
   27   1HD   LYS   3          HD2       LYS   3  11.126  -6.771   0.819
   28   2HD   LYS   3          HD1       LYS   3  12.565  -5.752   0.876
   29   1HE   LYS   3          HE2       LYS   3  11.870  -5.602   3.053
   30   2HE   LYS   3          HE1       LYS   3  11.026  -4.220   2.355
   31   1HZ   LYS   3          HZ1       LYS   3   9.959  -6.733   3.358
   32   2HZ   LYS   3          HZ2       LYS   3   9.221  -6.118   1.966
   33   3HZ   LYS   3          HZ3       LYS   3   9.280  -5.183   3.375
   34    H    VAL   4           HN       VAL   4   7.234  -7.391  -2.332
   35    HA   VAL   4           HA       VAL   4   6.395  -5.182  -3.928
   36    HB   VAL   4           HB       VAL   4   4.598  -7.339  -2.805
   37   1HG1  VAL   4          HG11      VAL   4   3.692  -6.836  -5.286
   38   2HG1  VAL   4          HG12      VAL   4   4.355  -5.254  -4.876
   39   3HG1  VAL   4          HG13      VAL   4   3.122  -5.986  -3.849
   40   1HG2  VAL   4          HG21      VAL   4   5.166  -8.226  -5.286
   41   2HG2  VAL   4          HG22      VAL   4   6.015  -8.762  -3.836
   42   3HG2  VAL   4          HG23      VAL   4   6.713  -7.500  -4.851
   43    H    PHE   5           HN       PHE   5   6.495  -5.840  -0.673
   44    HA   PHE   5           HA       PHE   5   4.364  -4.836   0.597
   45   1HB   PHE   5          HB2       PHE   5   6.435  -5.750   1.625
   46   2HB   PHE   5          HB1       PHE   5   7.249  -4.239   1.251
   47    HD1  PHE   5           HD1      PHE   5   6.580  -2.154   2.407
   48    HD2  PHE   5           HD2      PHE   5   4.995  -5.947   3.507
   49    HE1  PHE   5           HE1      PHE   5   5.834  -1.215   4.556
   50    HE2  PHE   5           HE2      PHE   5   4.245  -5.015   5.657
   51    HZ   PHE   5           HZ       PHE   5   4.665  -2.645   6.184
   52    H    LYS   6           HN       LYS   6   6.648  -3.073  -1.241
   53    HA   LYS   6           HA       LYS   6   6.047  -0.474  -0.303
   54   1HB   LYS   6          HB2       LYS   6   8.034  -1.308  -1.777
   55   2HB   LYS   6          HB1       LYS   6   6.939  -1.006  -3.120
   56   1HG   LYS   6          HG2       LYS   6   8.320   0.913  -2.837
   57   2HG   LYS   6          HG1       LYS   6   6.689   1.332  -2.309
   58   1HD   LYS   6          HD2       LYS   6   7.727   2.135  -0.483
   59   2HD   LYS   6          HD1       LYS   6   7.789   0.442   0.013
   60   1HE   LYS   6          HE2       LYS   6   9.984   1.181   0.284
   61   2HE   LYS   6          HE1       LYS   6  10.008   0.355  -1.274
   62   1HZ   LYS   6          HZ1       LYS   6  11.121   2.316  -1.699
   63   2HZ   LYS   6          HZ2       LYS   6  10.108   3.246  -0.715
   64   3HZ   LYS   6          HZ3       LYS   6   9.553   2.689  -2.212
   65    H    ARG   7           HN       ARG   7   4.862  -2.370  -3.060
   66    HA   ARG   7           HA       ARG   7   3.102  -0.412  -4.062
   67   1HB   ARG   7          HB2       ARG   7   3.464  -3.333  -4.401
   68   2HB   ARG   7          HB1       ARG   7   1.866  -2.705  -4.781
   69   1HG   ARG   7          HG2       ARG   7   2.991  -1.037  -6.285
   70   2HG   ARG   7          HG1       ARG   7   4.490  -1.934  -6.029
   71   1HD   ARG   7          HD2       ARG   7   3.724  -2.923  -7.953
   72   2HD   ARG   7          HD1       ARG   7   3.020  -3.985  -6.734
   73    HE   ARG   7           HE       ARG   7   0.933  -3.252  -7.338
   74   1HH1  ARG   7          HH11      ARG   7   3.333  -1.129  -8.724
   75   2HH1  ARG   7          HH12      ARG   7   2.193  -0.287  -9.719
   76   1HH2  ARG   7          HH21      ARG   7  -0.566  -2.145  -8.647
   77   2HH2  ARG   7          HH22      ARG   7  -0.020  -0.863  -9.675
   78    H    LEU   8           HN       LEU   8   2.774  -2.895  -1.591
   79    HA   LEU   8           HA       LEU   8  -0.014  -2.653  -1.205
   80   1HB   LEU   8          HB2       LEU   8   2.265  -3.747   0.378
   81   2HB   LEU   8          HB1       LEU   8   0.742  -3.473   1.202
   82    HG   LEU   8           HG       LEU   8  -0.162  -4.847  -0.923
   83   1HD1  LEU   8          HD11      LEU   8   1.646  -6.806  -0.924
   84   2HD1  LEU   8          HD12      LEU   8   2.728  -5.430  -0.704
   85   3HD1  LEU   8          HD13      LEU   8   1.657  -5.495  -2.104
   86   1HD2  LEU   8          HD21      LEU   8  -0.616  -5.381   1.401
   87   2HD2  LEU   8          HD22      LEU   8   1.014  -6.027   1.591
   88   3HD2  LEU   8          HD23      LEU   8  -0.136  -6.833   0.523
   89    H    GLU   9           HN       GLU   9   2.758  -0.898   0.032
   90    HA   GLU   9           HA       GLU   9   1.385   0.519   2.066
   91   1HB   GLU   9          HB2       GLU   9   3.996   0.265   1.381
   92   2HB   GLU   9          HB1       GLU   9   3.658   1.864   0.732
   93   1HG   GLU   9          HG2       GLU   9   3.709   2.781   2.747
   94   2HG   GLU   9          HG1       GLU   9   2.591   1.581   3.394
   95    H    LYS  10           HN       LYS  10   1.785   0.985  -1.374
   96    HA   LYS  10           HA       LYS  10   0.859   3.678  -1.440
   97   1HB   LYS  10          HB2       LYS  10   1.186   1.522  -3.511
   98   2HB   LYS  10          HB1       LYS  10   0.392   3.038  -3.913
   99   1HG   LYS  10          HG2       LYS  10   2.523   4.128  -2.921
  100   2HG   LYS  10          HG1       LYS  10   3.240   2.535  -3.173
  101   1HD   LYS  10          HD2       LYS  10   1.984   2.967  -5.557
  102   2HD   LYS  10          HD1       LYS  10   2.490   4.599  -5.117
  103   1HE   LYS  10          HE2       LYS  10   4.246   2.158  -5.343
  104   2HE   LYS  10          HE1       LYS  10   4.216   3.542  -6.435
  105   1HZ   LYS  10          HZ1       LYS  10   4.992   3.636  -3.569
  106   2HZ   LYS  10          HZ2       LYS  10   5.002   4.943  -4.642
  107   3HZ   LYS  10          HZ3       LYS  10   6.068   3.651  -4.875
  108    H    LEU  11           HN       LEU  11  -0.675   0.519  -1.911
  109    HA   LEU  11           HA       LEU  11  -3.255   1.555  -2.482
  110   1HB   LEU  11          HB2       LEU  11  -2.183  -0.883  -2.709
  111   2HB   LEU  11          HB1       LEU  11  -2.967  -1.094  -1.155
  112    HG   LEU  11           HG       LEU  11  -5.092  -0.227  -2.342
  113   1HD1  LEU  11          HD11      LEU  11  -3.283  -0.824  -4.659
  114   2HD1  LEU  11          HD12      LEU  11  -4.287   0.598  -4.375
  115   3HD1  LEU  11          HD13      LEU  11  -5.038  -0.942  -4.794
  116   1HD2  LEU  11          HD21      LEU  11  -4.215  -2.688  -1.727
  117   2HD2  LEU  11          HD22      LEU  11  -4.374  -2.855  -3.476
  118   3HD2  LEU  11          HD23      LEU  11  -5.767  -2.376  -2.505
  119    H    PHE  12           HN       PHE  12  -1.507   0.816   0.450
  120    HA   PHE  12           HA       PHE  12  -3.739   0.933   2.210
  121   1HB   PHE  12          HB2       PHE  12  -1.565  -0.134   2.798
  122   2HB   PHE  12          HB1       PHE  12  -0.823   1.462   2.827
  123    HD1  PHE  12           HD1      PHE  12  -1.317   3.033   4.611
  124    HD2  PHE  12           HD2      PHE  12  -3.032  -0.862   4.561
  125    HE1  PHE  12           HE1      PHE  12  -1.954   3.288   6.973
  126    HE2  PHE  12           HE2      PHE  12  -3.673  -0.614   6.923
  127    HZ   PHE  12           HZ       PHE  12  -3.135   1.463   8.132
  128    H    SER  13           HN       SER  13  -1.601   3.287   0.773
  129    HA   SER  13           HA       SER  13  -2.236   5.452   2.494
  130   1HB   SER  13          HB2       SER  13  -1.351   5.621  -0.396
  131   2HB   SER  13          HB1       SER  13  -1.170   6.858   0.848
  132    HG   SER  13           HG       SER  13   0.760   5.887   0.846
  133    H    LYS  14           HN       LYS  14  -3.704   4.117  -0.399
  134    HA   LYS  14           HA       LYS  14  -5.463   6.288  -0.905
  135   1HB   LYS  14          HB2       LYS  14  -4.813   4.340  -2.468
  136   2HB   LYS  14          HB1       LYS  14  -6.051   3.423  -1.620
  137   1HG   LYS  14          HG2       LYS  14  -7.773   4.739  -2.441
  138   2HG   LYS  14          HG1       LYS  14  -6.694   6.082  -2.826
  139   1HD   LYS  14          HD2       LYS  14  -6.072   3.586  -4.235
  140   2HD   LYS  14          HD1       LYS  14  -7.649   4.272  -4.631
  141   1HE   LYS  14          HE2       LYS  14  -6.098   6.489  -4.706
  142   2HE   LYS  14          HE1       LYS  14  -4.943   5.263  -5.229
  143   1HZ   LYS  14          HZ1       LYS  14  -6.032   4.934  -7.156
  144   2HZ   LYS  14          HZ2       LYS  14  -6.613   6.498  -6.880
  145   3HZ   LYS  14          HZ3       LYS  14  -7.565   5.160  -6.477
  146    H    ILE  15           HN       ILE  15  -5.619   3.429   1.114
  147    HA   ILE  15           HA       ILE  15  -8.381   3.597   1.740
  148    HB   ILE  15           HB       ILE  15  -6.186   2.395   3.434
  149   1HG1  ILE  15          HG12      ILE  15  -7.902   1.055   1.333
  150   2HG1  ILE  15          HG11      ILE  15  -6.222   1.526   1.096
  151   1HG2  ILE  15          HG21      ILE  15  -7.927   1.052   4.417
  152   2HG2  ILE  15          HG22      ILE  15  -9.128   1.748   3.329
  153   3HG2  ILE  15          HG23      ILE  15  -8.363   2.755   4.558
  154   1HD1  ILE  15          HD11      ILE  15  -5.533  -0.006   2.851
  155   2HD1  ILE  15          HD12      ILE  15  -6.439  -0.847   1.593
  156   3HD1  ILE  15          HD13      ILE  15  -7.215  -0.458   3.128
  157    H    GLN  16           HN       GLN  16  -5.509   5.155   2.959
  158    HA   GLN  16           HA       GLN  16  -6.633   6.119   5.388
  159   1HB   GLN  16          HB2       GLN  16  -4.165   6.588   3.821
  160   2HB   GLN  16          HB1       GLN  16  -4.666   7.903   4.876
  161   1HG   GLN  16          HG2       GLN  16  -4.514   5.120   5.939
  162   2HG   GLN  16          HG1       GLN  16  -3.045   6.077   5.749
  163   1HE2  GLN  16          HE21      GLN  16  -2.526   7.475   7.296
  164   2HE2  GLN  16          HE22      GLN  16  -3.545   7.937   8.612
  165    H    ASN  17           HN       ASN  17  -6.484   7.315   2.089
  166    HA   ASN  17           HA       ASN  17  -7.451   9.932   2.697
  167   1HB   ASN  17          HB2       ASN  17  -6.613   8.466   0.346
  168   2HB   ASN  17          HB1       ASN  17  -8.092   9.366   0.022
  169   1HD2  ASN  17          HD21      ASN  17  -7.810  11.598   1.496
  170   2HD2  ASN  17          HD22      ASN  17  -6.441  12.508   0.966
  171    H    TRP  18           HN       TRP  18  -8.913   6.848   2.005
  172    HA   TRP  18           HA       TRP  18 -11.553   7.970   1.610
  173   1HB   TRP  18          HB2       TRP  18 -10.898   5.974   0.352
  174   2HB   TRP  18          HB1       TRP  18 -10.632   5.097   1.855
  175    HD1  TRP  18           HD1      TRP  18 -13.725   7.261   1.756
  176    HE1  TRP  18           HE1      TRP  18 -15.810   5.761   1.589
  177    HE3  TRP  18           HE3      TRP  18 -11.435   2.785   0.828
  178    HZ2  TRP  18           HZ2      TRP  18 -16.405   3.041   1.126
  179    HZ3  TRP  18           HZ3      TRP  18 -12.834   0.782   0.536
  180    HH2  TRP  18           HH2      TRP  18 -15.268   0.909   0.682
  181    H    LYS  19           HN       LYS  19  -9.681   6.496   4.163
  182    HA   LYS  19           HA       LYS  19 -11.937   6.124   5.916
  183   1HB   LYS  19          HB2       LYS  19  -9.049   5.562   5.980
  184   2HB   LYS  19          HB1       LYS  19  -9.744   5.980   7.540
  185   1HG   LYS  19          HG2       LYS  19 -10.933   3.872   5.765
  186   2HG   LYS  19          HG1       LYS  19  -9.664   3.523   6.942
  187   1HD   LYS  19          HD2       LYS  19 -11.341   4.849   8.533
  188   2HD   LYS  19          HD1       LYS  19 -12.512   4.237   7.364
  189   1HE   LYS  19          HE2       LYS  19 -11.090   2.002   7.794
  190   2HE   LYS  19          HE1       LYS  19 -10.876   2.792   9.356
  191   1HZ   LYS  19          HZ1       LYS  19 -12.796   1.444   9.505
  192   2HZ   LYS  19          HZ2       LYS  19 -13.430   2.037   8.053
  193   3HZ   LYS  19          HZ3       LYS  19 -13.347   3.041   9.412
  194   1HN   NH2  20          NH1       NH2  20 -11.285   7.014   8.312
  195   2HN   NH2  20          NH2       NH2  20 -11.157   8.737   8.355
  Start of MODEL   10
    1   1H    ALA   1          HT1       ALA   1   7.500  -9.821  -7.618
    2   2H    ALA   1          HT2       ALA   1   7.015  -8.853  -6.287
    3   3H    ALA   1          HT3       ALA   1   7.012 -10.564  -6.152
    4    HA   ALA   1           HA       ALA   1   9.449 -10.433  -6.652
    5   1HB   ALA   1          HB1       ALA   1   8.709  -7.588  -6.371
    6   2HB   ALA   1          HB2       ALA   1  10.004  -8.341  -7.302
    7   3HB   ALA   1          HB3       ALA   1  10.191  -8.099  -5.565
    8    H    LYS   2           HN       LYS   2  10.921  -9.689  -4.598
    9    HA   LYS   2           HA       LYS   2   9.530 -10.866  -2.305
   10   1HB   LYS   2          HB2       LYS   2  11.756 -11.315  -1.407
   11   2HB   LYS   2          HB1       LYS   2  11.602 -11.959  -3.035
   12   1HG   LYS   2          HG2       LYS   2  13.584 -10.971  -3.356
   13   2HG   LYS   2          HG1       LYS   2  12.618  -9.508  -3.560
   14   1HD   LYS   2          HD2       LYS   2  13.236  -8.656  -1.542
   15   2HD   LYS   2          HD1       LYS   2  13.381 -10.247  -0.793
   16   1HE   LYS   2          HE2       LYS   2  15.317  -9.408  -2.911
   17   2HE   LYS   2          HE1       LYS   2  15.516  -8.827  -1.258
   18   1HZ   LYS   2          HZ1       LYS   2  16.769 -10.878  -1.740
   19   2HZ   LYS   2          HZ2       LYS   2  15.311 -11.691  -2.010
   20   3HZ   LYS   2          HZ3       LYS   2  15.660 -11.070  -0.477
   21    H    LYS   3           HN       LYS   3   9.187  -8.063  -3.099
   22    HA   LYS   3           HA       LYS   3   9.427  -6.881  -0.522
   23   1HB   LYS   3          HB2       LYS   3  11.789  -6.709  -1.668
   24   2HB   LYS   3          HB1       LYS   3  11.037  -5.408  -2.581
   25   1HG   LYS   3          HG2       LYS   3  10.802  -4.061  -0.731
   26   2HG   LYS   3          HG1       LYS   3  10.834  -5.420   0.394
   27   1HD   LYS   3          HD2       LYS   3  13.175  -5.680   0.160
   28   2HD   LYS   3          HD1       LYS   3  13.224  -4.616  -1.247
   29   1HE   LYS   3          HE2       LYS   3  12.123  -3.400   1.190
   30   2HE   LYS   3          HE1       LYS   3  13.824  -3.854   1.291
   31   1HZ   LYS   3          HZ1       LYS   3  14.373  -2.453  -0.475
   32   2HZ   LYS   3          HZ2       LYS   3  13.285  -1.541   0.445
   33   3HZ   LYS   3          HZ3       LYS   3  12.767  -2.287  -0.982
   34    H    VAL   4           HN       VAL   4   7.400  -7.403  -2.381
   35    HA   VAL   4           HA       VAL   4   6.599  -5.012  -3.722
   36    HB   VAL   4           HB       VAL   4   5.608  -7.173  -4.338
   37   1HG1  VAL   4          HG11      VAL   4   5.289  -8.566  -2.600
   38   2HG1  VAL   4          HG12      VAL   4   3.697  -7.811  -2.531
   39   3HG1  VAL   4          HG13      VAL   4   4.985  -7.251  -1.465
   40   1HG2  VAL   4          HG21      VAL   4   3.235  -5.806  -3.244
   41   2HG2  VAL   4          HG22      VAL   4   3.611  -6.280  -4.900
   42   3HG2  VAL   4          HG23      VAL   4   4.317  -4.814  -4.221
   43    H    PHE   5           HN       PHE   5   6.891  -5.971  -0.558
   44    HA   PHE   5           HA       PHE   5   4.921  -5.005   0.964
   45   1HB   PHE   5          HB2       PHE   5   7.017  -6.080   1.741
   46   2HB   PHE   5          HB1       PHE   5   7.870  -4.577   1.428
   47    HD1  PHE   5           HD1      PHE   5   8.198  -3.127   3.179
   48    HD2  PHE   5           HD2      PHE   5   4.913  -5.828   3.334
   49    HE1  PHE   5           HE1      PHE   5   7.671  -2.348   5.453
   50    HE2  PHE   5           HE2      PHE   5   4.379  -5.053   5.608
   51    HZ   PHE   5           HZ       PHE   5   5.758  -3.311   6.670
   52    H    LYS   6           HN       LYS   6   7.127  -3.151  -0.885
   53    HA   LYS   6           HA       LYS   6   6.665  -0.631   0.335
   54   1HB   LYS   6          HB2       LYS   6   8.442  -1.528  -1.518
   55   2HB   LYS   6          HB1       LYS   6   7.317  -0.655  -2.550
   56   1HG   LYS   6          HG2       LYS   6   8.562   1.129  -2.067
   57   2HG   LYS   6          HG1       LYS   6   7.704   1.126  -0.526
   58   1HD   LYS   6          HD2       LYS   6   9.584   0.683   0.580
   59   2HD   LYS   6          HD1       LYS   6   9.902  -0.724  -0.435
   60   1HE   LYS   6          HE2       LYS   6  11.040   0.610  -2.054
   61   2HE   LYS   6          HE1       LYS   6  10.535   2.103  -1.261
   62   1HZ   LYS   6          HZ1       LYS   6  11.825   1.211   0.730
   63   2HZ   LYS   6          HZ2       LYS   6  12.721   1.795  -0.580
   64   3HZ   LYS   6          HZ3       LYS   6  12.537   0.128  -0.358
   65    H    ARG   7           HN       ARG   7   5.323  -2.194  -2.558
   66    HA   ARG   7           HA       ARG   7   3.547  -0.126  -3.244
   67   1HB   ARG   7          HB2       ARG   7   4.046  -2.855  -4.063
   68   2HB   ARG   7          HB1       ARG   7   2.319  -2.539  -3.982
   69   1HG   ARG   7          HG2       ARG   7   2.405  -0.910  -5.622
   70   2HG   ARG   7          HG1       ARG   7   4.133  -0.632  -5.395
   71   1HD   ARG   7          HD2       ARG   7   4.181  -1.835  -7.337
   72   2HD   ARG   7          HD1       ARG   7   4.291  -3.148  -6.164
   73    HE   ARG   7           HE       ARG   7   2.239  -3.880  -6.853
   74   1HH1  ARG   7          HH11      ARG   7   2.669  -0.589  -7.934
   75   2HH1  ARG   7          HH12      ARG   7   1.220  -0.579  -8.882
   76   1HH2  ARG   7          HH21      ARG   7   0.333  -3.868  -8.100
   77   2HH2  ARG   7          HH22      ARG   7  -0.107  -2.441  -8.977
   78    H    LEU   8           HN       LEU   8   3.386  -2.733  -0.923
   79    HA   LEU   8           HA       LEU   8   0.621  -2.656  -0.396
   80   1HB   LEU   8          HB2       LEU   8   2.743  -4.164   0.475
   81   2HB   LEU   8          HB1       LEU   8   2.350  -3.230   1.907
   82    HG   LEU   8           HG       LEU   8  -0.077  -4.032   1.503
   83   1HD1  LEU   8          HD11      LEU   8   0.862  -5.023  -0.790
   84   2HD1  LEU   8          HD12      LEU   8  -0.497  -5.739   0.077
   85   3HD1  LEU   8          HD13      LEU   8   1.118  -6.427   0.247
   86   1HD2  LEU   8          HD21      LEU   8   0.255  -5.618   3.092
   87   2HD2  LEU   8          HD22      LEU   8   1.831  -4.832   3.178
   88   3HD2  LEU   8          HD23      LEU   8   1.639  -6.325   2.259
   89    H    GLU   9           HN       GLU   9   3.342  -0.765   0.790
   90    HA   GLU   9           HA       GLU   9   1.888   0.557   2.854
   91   1HB   GLU   9          HB2       GLU   9   4.444   1.263   1.405
   92   2HB   GLU   9          HB1       GLU   9   3.794   2.215   2.733
   93   1HG   GLU   9          HG2       GLU   9   3.812  -0.284   3.807
   94   2HG   GLU   9          HG1       GLU   9   5.232  -0.329   2.763
   95    H    LYS  10           HN       LYS  10   2.435   1.143  -0.557
   96    HA   LYS  10           HA       LYS  10   1.376   3.790  -0.581
   97   1HB   LYS  10          HB2       LYS  10   1.775   1.743  -2.768
   98   2HB   LYS  10          HB1       LYS  10   1.173   3.368  -3.067
   99   1HG   LYS  10          HG2       LYS  10   3.362   4.049  -1.766
  100   2HG   LYS  10          HG1       LYS  10   3.897   2.459  -2.313
  101   1HD   LYS  10          HD2       LYS  10   4.040   3.110  -4.467
  102   2HD   LYS  10          HD1       LYS  10   2.588   4.107  -4.366
  103   1HE   LYS  10          HE2       LYS  10   5.370   4.813  -3.455
  104   2HE   LYS  10          HE1       LYS  10   4.452   5.550  -4.766
  105   1HZ   LYS  10          HZ1       LYS  10   2.798   5.948  -2.724
  106   2HZ   LYS  10          HZ2       LYS  10   3.988   7.060  -3.183
  107   3HZ   LYS  10          HZ3       LYS  10   4.277   5.994  -1.902
  108    H    LEU  11           HN       LEU  11   0.047   0.571  -0.895
  109    HA   LEU  11           HA       LEU  11  -2.519   1.332  -1.826
  110   1HB   LEU  11          HB2       LEU  11  -1.190  -1.059  -1.296
  111   2HB   LEU  11          HB1       LEU  11  -2.515  -1.044  -0.147
  112    HG   LEU  11           HG       LEU  11  -2.983  -0.540  -3.072
  113   1HD1  LEU  11          HD11      LEU  11  -2.476  -3.111  -1.669
  114   2HD1  LEU  11          HD12      LEU  11  -2.076  -2.621  -3.316
  115   3HD1  LEU  11          HD13      LEU  11  -3.734  -3.060  -2.904
  116   1HD2  LEU  11          HD21      LEU  11  -4.868   0.052  -1.835
  117   2HD2  LEU  11          HD22      LEU  11  -4.663  -1.285  -0.704
  118   3HD2  LEU  11          HD23      LEU  11  -5.208  -1.600  -2.351
  119    H    PHE  12           HN       PHE  12  -1.030   1.119   1.334
  120    HA   PHE  12           HA       PHE  12  -3.388   1.284   2.882
  121   1HB   PHE  12          HB2       PHE  12  -0.721   0.942   3.432
  122   2HB   PHE  12          HB1       PHE  12  -1.003   2.578   4.019
  123    HD1  PHE  12           HD1      PHE  12  -2.121   2.960   6.044
  124    HD2  PHE  12           HD2      PHE  12  -2.143  -0.929   4.317
  125    HE1  PHE  12           HE1      PHE  12  -3.091   2.051   8.114
  126    HE2  PHE  12           HE2      PHE  12  -3.115  -1.845   6.383
  127    HZ   PHE  12           HZ       PHE  12  -3.590  -0.354   8.285
  128    H    SER  13           HN       SER  13  -1.352   3.683   1.327
  129    HA   SER  13           HA       SER  13  -2.441   5.958   2.615
  130   1HB   SER  13          HB2       SER  13  -0.755   5.450   0.224
  131   2HB   SER  13          HB1       SER  13  -1.633   6.979   0.251
  132    HG   SER  13           HG       SER  13   0.482   7.051   1.234
  133    H    LYS  14           HN       LYS  14  -3.399   4.064  -0.173
  134    HA   LYS  14           HA       LYS  14  -5.325   5.895  -1.173
  135   1HB   LYS  14          HB2       LYS  14  -4.300   3.921  -2.411
  136   2HB   LYS  14          HB1       LYS  14  -5.396   2.895  -1.496
  137   1HG   LYS  14          HG2       LYS  14  -7.290   3.791  -2.537
  138   2HG   LYS  14          HG1       LYS  14  -6.400   5.188  -3.146
  139   1HD   LYS  14          HD2       LYS  14  -5.372   2.582  -4.034
  140   2HD   LYS  14          HD1       LYS  14  -6.993   2.977  -4.611
  141   1HE   LYS  14          HE2       LYS  14  -4.931   5.098  -4.788
  142   2HE   LYS  14          HE1       LYS  14  -4.778   3.733  -5.893
  143   1HZ   LYS  14          HZ1       LYS  14  -6.064   5.402  -6.958
  144   2HZ   LYS  14          HZ2       LYS  14  -7.092   5.571  -5.625
  145   3HZ   LYS  14          HZ3       LYS  14  -7.127   4.152  -6.545
  146    H    ILE  15           HN       ILE  15  -5.409   3.282   1.179
  147    HA   ILE  15           HA       ILE  15  -8.224   3.215   1.500
  148    HB   ILE  15           HB       ILE  15  -6.123   2.472   3.543
  149   1HG1  ILE  15          HG12      ILE  15  -7.471   0.725   1.470
  150   2HG1  ILE  15          HG11      ILE  15  -5.818   1.321   1.359
  151   1HG2  ILE  15          HG21      ILE  15  -9.055   2.218   3.411
  152   2HG2  ILE  15          HG22      ILE  15  -7.985   2.322   4.809
  153   3HG2  ILE  15          HG23      ILE  15  -8.184   0.787   3.962
  154   1HD1  ILE  15          HD11      ILE  15  -5.497  -0.794   2.175
  155   2HD1  ILE  15          HD12      ILE  15  -6.966  -0.759   3.151
  156   3HD1  ILE  15          HD13      ILE  15  -5.543   0.145   3.667
  157    H    GLN  16           HN       GLN  16  -5.665   5.178   2.857
  158    HA   GLN  16           HA       GLN  16  -7.189   6.302   4.977
  159   1HB   GLN  16          HB2       GLN  16  -4.727   7.309   3.540
  160   2HB   GLN  16          HB1       GLN  16  -5.406   8.061   4.976
  161   1HG   GLN  16          HG2       GLN  16  -5.139   5.432   5.727
  162   2HG   GLN  16          HG1       GLN  16  -3.723   5.707   4.714
  163   1HE2  GLN  16          HE21      GLN  16  -3.864   5.240   7.572
  164   2HE2  GLN  16          HE22      GLN  16  -3.137   6.613   8.328
  165    H    ASN  17           HN       ASN  17  -6.749   7.070   1.590
  166    HA   ASN  17           HA       ASN  17  -7.951   9.653   1.702
  167   1HB   ASN  17          HB2       ASN  17  -6.768   7.953  -0.301
  168   2HB   ASN  17          HB1       ASN  17  -8.296   8.595  -0.895
  169   1HD2  ASN  17          HD21      ASN  17  -8.451  11.052   0.088
  170   2HD2  ASN  17          HD22      ASN  17  -7.128  12.030  -0.442
  171    H    TRP  18           HN       TRP  18  -9.136   6.400   1.474
  172    HA   TRP  18           HA       TRP  18 -11.771   7.155   0.580
  173   1HB   TRP  18          HB2       TRP  18 -10.286   4.745   0.777
  174   2HB   TRP  18          HB1       TRP  18 -11.731   4.543   1.762
  175    HD1  TRP  18           HD1      TRP  18 -13.751   6.209  -0.086
  176    HE1  TRP  18           HE1      TRP  18 -14.509   5.199  -2.329
  177    HE3  TRP  18           HE3      TRP  18  -9.948   2.869  -0.801
  178    HZ2  TRP  18           HZ2      TRP  18 -13.614   3.245  -4.158
  179    HZ3  TRP  18           HZ3      TRP  18  -9.974   1.467  -2.822
  180    HH2  TRP  18           HH2      TRP  18 -11.770   1.652  -4.465
  181    H    LYS  19           HN       LYS  19 -10.219   6.278   3.630
  182    HA   LYS  19           HA       LYS  19 -12.712   6.475   5.093
  183   1HB   LYS  19          HB2       LYS  19 -11.370   5.935   7.060
  184   2HB   LYS  19          HB1       LYS  19 -11.042   4.807   5.753
  185   1HG   LYS  19          HG2       LYS  19  -8.900   5.470   5.535
  186   2HG   LYS  19          HG1       LYS  19  -9.268   7.155   5.906
  187   1HD   LYS  19          HD2       LYS  19  -9.227   4.938   7.949
  188   2HD   LYS  19          HD1       LYS  19  -7.864   6.009   7.623
  189   1HE   LYS  19          HE2       LYS  19  -8.780   7.713   8.760
  190   2HE   LYS  19          HE1       LYS  19 -10.388   7.408   8.103
  191   1HZ   LYS  19          HZ1       LYS  19 -10.634   5.590   9.697
  192   2HZ   LYS  19          HZ2       LYS  19 -10.363   7.065  10.479
  193   3HZ   LYS  19          HZ3       LYS  19  -9.110   5.937  10.345
  194   1HN   NH2  20          NH1       NH2  20 -13.292   8.081   6.486
  195   2HN   NH2  20          NH2       NH2  20 -12.489   9.608   6.585
  Start of MODEL   11
    1   1H    ALA   1          HT1       ALA   1  11.042 -11.373  -0.388
    2   2H    ALA   1          HT2       ALA   1   9.809 -11.471  -1.578
    3   3H    ALA   1          HT3       ALA   1  10.514  -9.954  -1.192
    4    HA   ALA   1           HA       ALA   1  12.678 -11.053  -1.880
    5   1HB   ALA   1          HB1       ALA   1  11.432 -13.292  -2.048
    6   2HB   ALA   1          HB2       ALA   1  12.563 -12.869  -3.334
    7   3HB   ALA   1          HB3       ALA   1  10.828 -12.679  -3.588
    8    H    LYS   2           HN       LYS   2   9.554 -10.414  -3.415
    9    HA   LYS   2           HA       LYS   2  10.862  -8.963  -5.579
   10   1HB   LYS   2          HB2       LYS   2   8.983 -10.508  -6.067
   11   2HB   LYS   2          HB1       LYS   2   7.921  -9.484  -5.110
   12   1HG   LYS   2          HG2       LYS   2   9.241  -7.861  -7.039
   13   2HG   LYS   2          HG1       LYS   2   8.570  -9.275  -7.852
   14   1HD   LYS   2          HD2       LYS   2   6.497  -8.622  -6.263
   15   2HD   LYS   2          HD1       LYS   2   7.204  -7.025  -6.514
   16   1HE   LYS   2          HE2       LYS   2   7.107  -8.472  -8.996
   17   2HE   LYS   2          HE1       LYS   2   5.513  -8.449  -8.243
   18   1HZ   LYS   2          HZ1       LYS   2   6.277  -6.511  -9.780
   19   2HZ   LYS   2          HZ2       LYS   2   7.051  -5.953  -8.383
   20   3HZ   LYS   2          HZ3       LYS   2   5.375  -6.184  -8.386
   21    H    LYS   3           HN       LYS   3  10.276  -8.173  -2.545
   22    HA   LYS   3           HA       LYS   3   9.615  -6.320  -1.360
   23   1HB   LYS   3          HB2       LYS   3  10.812  -4.342  -1.987
   24   2HB   LYS   3          HB1       LYS   3  11.826  -5.724  -2.371
   25   1HG   LYS   3          HG2       LYS   3  10.113  -4.770  -4.564
   26   2HG   LYS   3          HG1       LYS   3  11.379  -3.661  -4.039
   27   1HD   LYS   3          HD2       LYS   3  12.174  -6.484  -4.395
   28   2HD   LYS   3          HD1       LYS   3  11.771  -5.592  -5.864
   29   1HE   LYS   3          HE2       LYS   3  13.636  -4.357  -5.758
   30   2HE   LYS   3          HE1       LYS   3  13.469  -4.094  -4.023
   31   1HZ   LYS   3          HZ1       LYS   3  14.637  -6.004  -3.533
   32   2HZ   LYS   3          HZ2       LYS   3  15.457  -5.447  -4.903
   33   3HZ   LYS   3          HZ3       LYS   3  14.347  -6.715  -5.041
   34    H    VAL   4           HN       VAL   4   7.547  -7.250  -2.983
   35    HA   VAL   4           HA       VAL   4   6.259  -5.100  -4.350
   36    HB   VAL   4           HB       VAL   4   5.568  -7.425  -4.750
   37   1HG1  VAL   4          HG11      VAL   4   4.212  -8.603  -3.031
   38   2HG1  VAL   4          HG12      VAL   4   4.660  -7.347  -1.877
   39   3HG1  VAL   4          HG13      VAL   4   5.902  -8.386  -2.576
   40   1HG2  VAL   4          HG21      VAL   4   3.394  -6.905  -5.134
   41   2HG2  VAL   4          HG22      VAL   4   3.953  -5.295  -4.681
   42   3HG2  VAL   4          HG23      VAL   4   3.132  -6.309  -3.495
   43    H    PHE   5           HN       PHE   5   6.984  -5.802  -1.186
   44    HA   PHE   5           HA       PHE   5   5.018  -5.012   0.461
   45   1HB   PHE   5          HB2       PHE   5   7.310  -5.780   1.078
   46   2HB   PHE   5          HB1       PHE   5   7.913  -4.185   0.660
   47    HD1  PHE   5           HD1      PHE   5   6.297  -6.203   3.172
   48    HD2  PHE   5           HD2      PHE   5   7.195  -2.211   2.005
   49    HE1  PHE   5           HE1      PHE   5   5.840  -5.434   5.465
   50    HE2  PHE   5           HE2      PHE   5   6.741  -1.435   4.295
   51    HZ   PHE   5           HZ       PHE   5   6.062  -3.047   6.028
   52    H    LYS   6           HN       LYS   6   6.813  -3.037  -1.677
   53    HA   LYS   6           HA       LYS   6   6.196  -0.512  -0.556
   54   1HB   LYS   6          HB2       LYS   6   7.949  -1.198  -2.393
   55   2HB   LYS   6          HB1       LYS   6   6.623  -0.871  -3.500
   56   1HG   LYS   6          HG2       LYS   6   7.031   1.241  -1.533
   57   2HG   LYS   6          HG1       LYS   6   8.429   0.964  -2.574
   58   1HD   LYS   6          HD2       LYS   6   6.485   0.920  -4.422
   59   2HD   LYS   6          HD1       LYS   6   5.735   1.992  -3.237
   60   1HE   LYS   6          HE2       LYS   6   7.072   3.163  -4.991
   61   2HE   LYS   6          HE1       LYS   6   7.574   3.509  -3.337
   62   1HZ   LYS   6          HZ1       LYS   6   9.265   2.830  -5.263
   63   2HZ   LYS   6          HZ2       LYS   6   8.924   1.292  -4.647
   64   3HZ   LYS   6          HZ3       LYS   6   9.547   2.491  -3.629
   65    H    ARG   7           HN       ARG   7   4.681  -2.481  -3.081
   66    HA   ARG   7           HA       ARG   7   2.666  -0.643  -3.779
   67   1HB   ARG   7          HB2       ARG   7   2.991  -3.607  -4.052
   68   2HB   ARG   7          HB1       ARG   7   1.427  -2.879  -4.393
   69   1HG   ARG   7          HG2       ARG   7   2.336  -1.551  -6.144
   70   2HG   ARG   7          HG1       ARG   7   3.986  -1.991  -5.699
   71   1HD   ARG   7          HD2       ARG   7   3.896  -3.768  -7.026
   72   2HD   ARG   7          HD1       ARG   7   2.490  -4.377  -6.153
   73    HE   ARG   7           HE       ARG   7   1.149  -3.631  -7.855
   74   1HH1  ARG   7          HH11      ARG   7   4.311  -2.193  -8.185
   75   2HH1  ARG   7          HH12      ARG   7   3.979  -1.518  -9.745
   76   1HH2  ARG   7          HH21      ARG   7   0.710  -2.745  -9.905
   77   2HH2  ARG   7          HH22      ARG   7   1.933  -1.832 -10.722
   78    H    LEU   8           HN       LEU   8   2.955  -3.016  -1.218
   79    HA   LEU   8           HA       LEU   8   0.258  -3.008  -0.383
   80   1HB   LEU   8          HB2       LEU   8   2.440  -4.451   0.296
   81   2HB   LEU   8          HB1       LEU   8   2.358  -3.367   1.671
   82    HG   LEU   8           HG       LEU   8  -0.089  -4.105   1.888
   83   1HD1  LEU   8          HD11      LEU   8  -0.739  -5.270   0.063
   84   2HD1  LEU   8          HD12      LEU   8  -0.096  -6.625   0.991
   85   3HD1  LEU   8          HD13      LEU   8   0.884  -5.874  -0.268
   86   1HD2  LEU   8          HD21      LEU   8   2.025  -4.846   3.218
   87   2HD2  LEU   8          HD22      LEU   8   1.798  -6.371   2.361
   88   3HD2  LEU   8          HD23      LEU   8   0.516  -5.742   3.396
   89    H    GLU   9           HN       GLU   9   3.025  -0.970   0.378
   90    HA   GLU   9           HA       GLU   9   1.768   0.447   2.501
   91   1HB   GLU   9          HB2       GLU   9   4.133   1.064   0.732
   92   2HB   GLU   9          HB1       GLU   9   3.582   2.175   1.979
   93   1HG   GLU   9          HG2       GLU   9   3.803   0.137   3.554
   94   2HG   GLU   9          HG1       GLU   9   4.811  -0.531   2.271
   95    H    LYS  10           HN       LYS  10   1.821   0.765  -0.974
   96    HA   LYS  10           HA       LYS  10   0.733   3.394  -1.081
   97   1HB   LYS  10          HB2       LYS  10   1.957   2.164  -2.949
   98   2HB   LYS  10          HB1       LYS  10   0.465   1.270  -3.209
   99   1HG   LYS  10          HG2       LYS  10  -0.682   3.159  -3.945
  100   2HG   LYS  10          HG1       LYS  10   0.499   4.264  -3.240
  101   1HD   LYS  10          HD2       LYS  10   2.069   3.846  -4.920
  102   2HD   LYS  10          HD1       LYS  10   1.270   2.354  -5.420
  103   1HE   LYS  10          HE2       LYS  10   0.565   3.724  -7.098
  104   2HE   LYS  10          HE1       LYS  10  -0.719   4.028  -5.928
  105   1HZ   LYS  10          HZ1       LYS  10   0.829   5.917  -5.148
  106   2HZ   LYS  10          HZ2       LYS  10  -0.085   6.138  -6.554
  107   3HZ   LYS  10          HZ3       LYS  10   1.557   5.745  -6.667
  108    H    LEU  11           HN       LEU  11  -0.600   0.149  -0.960
  109    HA   LEU  11           HA       LEU  11  -3.281   0.861  -1.534
  110   1HB   LEU  11          HB2       LEU  11  -1.871  -1.506  -0.453
  111   2HB   LEU  11          HB1       LEU  11  -3.566  -1.361  -0.027
  112    HG   LEU  11           HG       LEU  11  -3.191  -2.758  -2.029
  113   1HD1  LEU  11          HD11      LEU  11  -4.706  -1.214  -3.559
  114   2HD1  LEU  11          HD12      LEU  11  -4.835  -0.290  -2.062
  115   3HD1  LEU  11          HD13      LEU  11  -5.328  -1.983  -2.099
  116   1HD2  LEU  11          HD21      LEU  11  -2.695  -1.325  -4.149
  117   2HD2  LEU  11          HD22      LEU  11  -1.363  -1.919  -3.156
  118   3HD2  LEU  11          HD23      LEU  11  -1.901  -0.246  -3.002
  119    H    PHE  12           HN       PHE  12  -1.361   0.763   1.404
  120    HA   PHE  12           HA       PHE  12  -3.527   1.102   3.211
  121   1HB   PHE  12          HB2       PHE  12  -1.206   0.296   3.811
  122   2HB   PHE  12          HB1       PHE  12  -0.661   1.962   3.647
  123    HD1  PHE  12           HD1      PHE  12  -0.630   3.302   5.513
  124    HD2  PHE  12           HD2      PHE  12  -3.254  -0.046   5.418
  125    HE1  PHE  12           HE1      PHE  12  -1.270   3.743   7.847
  126    HE2  PHE  12           HE2      PHE  12  -3.900   0.389   7.752
  127    HZ   PHE  12           HZ       PHE  12  -2.908   2.286   8.970
  128    H    SER  13           HN       SER  13  -1.505   3.287   1.364
  129    HA   SER  13           HA       SER  13  -2.311   5.673   2.676
  130   1HB   SER  13          HB2       SER  13  -1.456   5.559  -0.210
  131   2HB   SER  13          HB1       SER  13  -1.159   6.828   0.979
  132    HG   SER  13           HG       SER  13   0.608   5.244   0.392
  133    H    LYS  14           HN       LYS  14  -3.657   3.706   0.134
  134    HA   LYS  14           HA       LYS  14  -5.499   5.615  -0.874
  135   1HB   LYS  14          HB2       LYS  14  -4.699   3.253  -1.790
  136   2HB   LYS  14          HB1       LYS  14  -6.131   2.699  -0.935
  137   1HG   LYS  14          HG2       LYS  14  -7.557   4.045  -2.264
  138   2HG   LYS  14          HG1       LYS  14  -6.190   4.919  -2.959
  139   1HD   LYS  14          HD2       LYS  14  -5.607   2.302  -3.562
  140   2HD   LYS  14          HD1       LYS  14  -7.364   2.356  -3.722
  141   1HE   LYS  14          HE2       LYS  14  -6.926   3.101  -5.795
  142   2HE   LYS  14          HE1       LYS  14  -6.657   4.646  -4.990
  143   1HZ   LYS  14          HZ1       LYS  14  -4.826   4.151  -6.443
  144   2HZ   LYS  14          HZ2       LYS  14  -4.578   2.650  -5.704
  145   3HZ   LYS  14          HZ3       LYS  14  -4.288   4.075  -4.840
  146    H    ILE  15           HN       ILE  15  -5.526   3.363   1.803
  147    HA   ILE  15           HA       ILE  15  -8.313   3.472   2.331
  148    HB   ILE  15           HB       ILE  15  -6.112   2.932   4.328
  149   1HG1  ILE  15          HG12      ILE  15  -7.550   1.009   2.483
  150   2HG1  ILE  15          HG11      ILE  15  -5.859   1.484   2.362
  151   1HG2  ILE  15          HG21      ILE  15  -7.788   1.716   5.555
  152   2HG2  ILE  15          HG22      ILE  15  -8.977   1.995   4.283
  153   3HG2  ILE  15          HG23      ILE  15  -8.376   3.349   5.242
  154   1HD1  ILE  15          HD11      ILE  15  -6.939   0.175   4.827
  155   2HD1  ILE  15          HD12      ILE  15  -5.268   0.293   4.274
  156   3HD1  ILE  15          HD13      ILE  15  -6.403  -0.764   3.434
  157    H    GLN  16           HN       GLN  16  -5.567   5.440   3.280
  158    HA   GLN  16           HA       GLN  16  -6.934   6.928   5.287
  159   1HB   GLN  16          HB2       GLN  16  -4.332   6.681   4.601
  160   2HB   GLN  16          HB1       GLN  16  -4.701   8.217   3.828
  161   1HG   GLN  16          HG2       GLN  16  -4.703   9.303   5.764
  162   2HG   GLN  16          HG1       GLN  16  -5.725   8.090   6.534
  163   1HE2  GLN  16          HE21      GLN  16  -2.795   9.541   6.653
  164   2HE2  GLN  16          HE22      GLN  16  -1.897   8.329   7.495
  165    H    ASN  17           HN       ASN  17  -6.574   7.208   1.824
  166    HA   ASN  17           HA       ASN  17  -7.603   9.872   1.642
  167   1HB   ASN  17          HB2       ASN  17  -6.795   7.739  -0.246
  168   2HB   ASN  17          HB1       ASN  17  -8.007   8.869  -0.840
  169   1HD2  ASN  17          HD21      ASN  17  -5.085   9.120   1.165
  170   2HD2  ASN  17          HD22      ASN  17  -4.369  10.402   0.255
  171    H    TRP  18           HN       TRP  18  -8.958   6.663   1.702
  172    HA   TRP  18           HA       TRP  18 -11.567   7.524   0.800
  173   1HB   TRP  18          HB2       TRP  18 -10.285   4.949   1.516
  174   2HB   TRP  18          HB1       TRP  18 -12.022   5.054   1.785
  175    HD1  TRP  18           HD1      TRP  18  -9.971   3.655  -0.670
  176    HE1  TRP  18           HE1      TRP  18 -10.959   3.782  -3.044
  177    HE3  TRP  18           HE3      TRP  18 -13.500   7.271   0.111
  178    HZ2  TRP  18           HZ2      TRP  18 -12.968   5.224  -4.405
  179    HZ3  TRP  18           HZ3      TRP  18 -14.914   7.967  -1.779
  180    HH2  TRP  18           HH2      TRP  18 -14.652   6.964  -3.990
  181    H    LYS  19           HN       LYS  19  -9.905   7.000   3.818
  182    HA   LYS  19           HA       LYS  19 -12.288   6.997   5.426
  183   1HB   LYS  19          HB2       LYS  19  -9.768   6.123   5.866
  184   2HB   LYS  19          HB1       LYS  19  -9.697   7.679   6.681
  185   1HG   LYS  19          HG2       LYS  19 -10.294   5.986   8.267
  186   2HG   LYS  19          HG1       LYS  19 -11.687   7.036   7.998
  187   1HD   LYS  19          HD2       LYS  19 -12.797   5.093   7.746
  188   2HD   LYS  19          HD1       LYS  19 -12.114   5.132   6.119
  189   1HE   LYS  19          HE2       LYS  19 -10.399   3.633   6.686
  190   2HE   LYS  19          HE1       LYS  19 -10.659   3.859   8.415
  191   1HZ   LYS  19          HZ1       LYS  19 -12.290   2.323   6.493
  192   2HZ   LYS  19          HZ2       LYS  19 -12.947   2.856   7.957
  193   3HZ   LYS  19          HZ3       LYS  19 -11.618   1.811   7.959
  194   1HN   NH2  20          NH1       NH2  20 -13.436   8.722   5.900
  195   2HN   NH2  20          NH2       NH2  20 -12.860  10.348   6.000
  Start of MODEL   12
    1   1H    ALA   1          HT1       ALA   1  11.996  -9.095  -7.268
    2   2H    ALA   1          HT2       ALA   1  10.638  -8.313  -6.568
    3   3H    ALA   1          HT3       ALA   1  10.562  -9.982  -6.960
    4    HA   ALA   1           HA       ALA   1  12.279 -10.436  -5.363
    5   1HB   ALA   1          HB1       ALA   1  12.845  -8.646  -3.738
    6   2HB   ALA   1          HB2       ALA   1  12.004  -7.493  -4.774
    7   3HB   ALA   1          HB3       ALA   1  13.436  -8.333  -5.369
    8    H    LYS   2           HN       LYS   2  11.802 -10.146  -2.829
    9    HA   LYS   2           HA       LYS   2   8.931 -10.661  -2.571
   10   1HB   LYS   2          HB2       LYS   2  10.740 -12.314  -1.803
   11   2HB   LYS   2          HB1       LYS   2  11.018 -11.201  -0.470
   12   1HG   LYS   2          HG2       LYS   2   8.597 -11.429   0.114
   13   2HG   LYS   2          HG1       LYS   2   8.491 -12.704  -1.101
   14   1HD   LYS   2          HD2       LYS   2  10.711 -13.030   0.781
   15   2HD   LYS   2          HD1       LYS   2   9.116 -13.082   1.535
   16   1HE   LYS   2          HE2       LYS   2   8.530 -14.708  -0.394
   17   2HE   LYS   2          HE1       LYS   2  10.277 -14.873  -0.565
   18   1HZ   LYS   2          HZ1       LYS   2  10.030 -15.229   2.045
   19   2HZ   LYS   2          HZ2       LYS   2   9.938 -16.503   0.936
   20   3HZ   LYS   2          HZ3       LYS   2   8.521 -15.817   1.554
   21    H    LYS   3           HN       LYS   3  10.003  -7.951  -2.739
   22    HA   LYS   3           HA       LYS   3   9.102  -6.970  -0.103
   23   1HB   LYS   3          HB2       LYS   3  10.595  -4.983  -0.502
   24   2HB   LYS   3          HB1       LYS   3  11.446  -6.494  -0.214
   25   1HG   LYS   3          HG2       LYS   3  11.726  -6.734  -2.673
   26   2HG   LYS   3          HG1       LYS   3  11.022  -5.126  -2.860
   27   1HD   LYS   3          HD2       LYS   3  13.255  -4.600  -2.834
   28   2HD   LYS   3          HD1       LYS   3  12.879  -4.471  -1.114
   29   1HE   LYS   3          HE2       LYS   3  13.663  -6.796  -0.808
   30   2HE   LYS   3          HE1       LYS   3  14.115  -6.841  -2.512
   31   1HZ   LYS   3          HZ1       LYS   3  15.923  -6.299  -0.833
   32   2HZ   LYS   3          HZ2       LYS   3  15.188  -4.783  -0.681
   33   3HZ   LYS   3          HZ3       LYS   3  15.797  -5.280  -2.179
   34    H    VAL   4           HN       VAL   4   7.444  -7.506  -2.279
   35    HA   VAL   4           HA       VAL   4   6.804  -5.119  -3.711
   36    HB   VAL   4           HB       VAL   4   4.927  -7.389  -3.007
   37   1HG1  VAL   4          HG11      VAL   4   4.838  -5.146  -4.993
   38   2HG1  VAL   4          HG12      VAL   4   3.616  -5.645  -3.822
   39   3HG1  VAL   4          HG13      VAL   4   3.922  -6.631  -5.252
   40   1HG2  VAL   4          HG21      VAL   4   5.725  -8.659  -4.714
   41   2HG2  VAL   4          HG22      VAL   4   7.215  -7.808  -4.307
   42   3HG2  VAL   4          HG23      VAL   4   6.230  -7.262  -5.664
   43    H    PHE   5           HN       PHE   5   6.599  -6.112  -0.552
   44    HA   PHE   5           HA       PHE   5   4.365  -5.198   0.615
   45   1HB   PHE   5          HB2       PHE   5   6.317  -6.277   1.721
   46   2HB   PHE   5          HB1       PHE   5   7.179  -4.751   1.608
   47    HD1  PHE   5           HD1      PHE   5   7.451  -3.964   3.760
   48    HD2  PHE   5           HD2      PHE   5   3.659  -5.495   2.583
   49    HE1  PHE   5           HE1      PHE   5   6.503  -3.266   5.921
   50    HE2  PHE   5           HE2      PHE   5   2.704  -4.799   4.741
   51    HZ   PHE   5           HZ       PHE   5   4.127  -3.683   6.413
   52    H    LYS   6           HN       LYS   6   6.834  -3.319  -0.819
   53    HA   LYS   6           HA       LYS   6   6.207  -0.815   0.343
   54   1HB   LYS   6          HB2       LYS   6   8.233  -1.695  -1.225
   55   2HB   LYS   6          HB1       LYS   6   7.272  -0.834  -2.420
   56   1HG   LYS   6          HG2       LYS   6   8.109   0.418   0.177
   57   2HG   LYS   6          HG1       LYS   6   9.109   0.473  -1.277
   58   1HD   LYS   6          HD2       LYS   6   6.246   1.335  -1.386
   59   2HD   LYS   6          HD1       LYS   6   7.478   2.433  -0.761
   60   1HE   LYS   6          HE2       LYS   6   8.712   1.673  -2.994
   61   2HE   LYS   6          HE1       LYS   6   7.047   1.418  -3.515
   62   1HZ   LYS   6          HZ1       LYS   6   7.945   3.959  -2.290
   63   2HZ   LYS   6          HZ2       LYS   6   6.536   3.667  -3.178
   64   3HZ   LYS   6          HZ3       LYS   6   8.037   3.680  -3.957
   65    H    ARG   7           HN       ARG   7   5.212  -2.399  -2.671
   66    HA   ARG   7           HA       ARG   7   3.615  -0.292  -3.638
   67   1HB   ARG   7          HB2       ARG   7   3.902  -3.186  -4.200
   68   2HB   ARG   7          HB1       ARG   7   2.362  -2.466  -4.651
   69   1HG   ARG   7          HG2       ARG   7   3.638  -2.270  -6.574
   70   2HG   ARG   7          HG1       ARG   7   3.776  -0.676  -5.831
   71   1HD   ARG   7          HD2       ARG   7   5.873  -1.946  -4.690
   72   2HD   ARG   7          HD1       ARG   7   5.815  -2.759  -6.253
   73    HE   ARG   7           HE       ARG   7   5.690   0.109  -6.427
   74   1HH1  ARG   7          HH11      ARG   7   7.806  -2.661  -6.250
   75   2HH1  ARG   7          HH12      ARG   7   9.138  -1.847  -6.999
   76   1HH2  ARG   7          HH21      ARG   7   7.441   1.181  -7.411
   77   2HH2  ARG   7          HH22      ARG   7   8.932   0.334  -7.657
   78    H    LEU   8           HN       LEU   8   3.043  -2.856  -1.330
   79    HA   LEU   8           HA       LEU   8   0.236  -2.640  -1.176
   80   1HB   LEU   8          HB2       LEU   8   2.233  -4.174   0.042
   81   2HB   LEU   8          HB1       LEU   8   1.469  -3.308   1.362
   82    HG   LEU   8           HG       LEU   8  -0.602  -4.346  -0.289
   83   1HD1  LEU   8          HD11      LEU   8   0.964  -6.659   0.682
   84   2HD1  LEU   8          HD12      LEU   8   1.506  -5.894  -0.812
   85   3HD1  LEU   8          HD13      LEU   8  -0.136  -6.524  -0.690
   86   1HD2  LEU   8          HD21      LEU   8   0.363  -4.580   2.495
   87   2HD2  LEU   8          HD22      LEU   8  -0.719  -5.849   1.921
   88   3HD2  LEU   8          HD23      LEU   8  -1.235  -4.163   1.876
   89    H    GLU   9           HN       GLU   9   2.871  -0.879   0.333
   90    HA   GLU   9           HA       GLU   9   1.351   0.481   2.283
   91   1HB   GLU   9          HB2       GLU   9   3.885   0.326   2.134
   92   2HB   GLU   9          HB1       GLU   9   3.801   1.570   0.894
   93   1HG   GLU   9          HG2       GLU   9   2.470   2.894   2.690
   94   2HG   GLU   9          HG1       GLU   9   3.227   1.766   3.814
   95    H    LYS  10           HN       LYS  10   1.951   1.057  -1.118
   96    HA   LYS  10           HA       LYS  10   0.930   3.701  -1.208
   97   1HB   LYS  10          HB2       LYS  10   2.306   2.286  -2.973
   98   2HB   LYS  10          HB1       LYS  10   0.701   1.872  -3.562
   99   1HG   LYS  10          HG2       LYS  10   0.460   4.548  -3.358
  100   2HG   LYS  10          HG1       LYS  10   2.182   4.407  -3.717
  101   1HD   LYS  10          HD2       LYS  10   1.607   2.987  -5.670
  102   2HD   LYS  10          HD1       LYS  10  -0.101   3.280  -5.335
  103   1HE   LYS  10          HE2       LYS  10   0.650   4.783  -7.067
  104   2HE   LYS  10          HE1       LYS  10   0.293   5.700  -5.603
  105   1HZ   LYS  10          HZ1       LYS  10   2.529   5.993  -6.995
  106   2HZ   LYS  10          HZ2       LYS  10   3.039   4.797  -5.913
  107   3HZ   LYS  10          HZ3       LYS  10   2.441   6.267  -5.327
  108    H    LEU  11           HN       LEU  11  -0.512   0.517  -1.824
  109    HA   LEU  11           HA       LEU  11  -3.088   1.493  -2.471
  110   1HB   LEU  11          HB2       LEU  11  -1.817  -1.071  -2.080
  111   2HB   LEU  11          HB1       LEU  11  -3.392  -1.053  -1.310
  112    HG   LEU  11           HG       LEU  11  -3.253  -0.029  -4.091
  113   1HD1  LEU  11          HD11      LEU  11  -2.516  -2.777  -3.299
  114   2HD1  LEU  11          HD12      LEU  11  -2.078  -1.850  -4.734
  115   3HD1  LEU  11          HD13      LEU  11  -3.662  -2.618  -4.630
  116   1HD2  LEU  11          HD21      LEU  11  -5.419  -0.013  -3.432
  117   2HD2  LEU  11          HD22      LEU  11  -5.189  -1.314  -2.264
  118   3HD2  LEU  11          HD23      LEU  11  -5.348  -1.688  -3.980
  119    H    PHE  12           HN       PHE  12  -1.464   0.758   0.534
  120    HA   PHE  12           HA       PHE  12  -3.786   0.819   2.181
  121   1HB   PHE  12          HB2       PHE  12  -1.412  -0.120   2.702
  122   2HB   PHE  12          HB1       PHE  12  -1.036   1.538   3.160
  123    HD1  PHE  12           HD1      PHE  12  -3.795  -0.914   3.736
  124    HD2  PHE  12           HD2      PHE  12  -1.169   1.995   5.394
  125    HE1  PHE  12           HE1      PHE  12  -4.763  -1.316   5.962
  126    HE2  PHE  12           HE2      PHE  12  -2.131   1.598   7.624
  127    HZ   PHE  12           HZ       PHE  12  -3.930  -0.059   7.910
  128    H    SER  13           HN       SER  13  -1.585   3.210   0.908
  129    HA   SER  13           HA       SER  13  -2.334   5.351   2.604
  130   1HB   SER  13          HB2       SER  13  -0.369   5.038   0.786
  131   2HB   SER  13          HB1       SER  13  -1.514   5.962  -0.186
  132    HG   SER  13           HG       SER  13   0.165   6.950   1.490
  133    H    LYS  14           HN       LYS  14  -3.664   3.989  -0.333
  134    HA   LYS  14           HA       LYS  14  -5.398   6.130  -0.983
  135   1HB   LYS  14          HB2       LYS  14  -5.877   3.208  -1.576
  136   2HB   LYS  14          HB1       LYS  14  -6.489   4.594  -2.467
  137   1HG   LYS  14          HG2       LYS  14  -3.562   4.428  -2.271
  138   2HG   LYS  14          HG1       LYS  14  -4.336   3.140  -3.196
  139   1HD   LYS  14          HD2       LYS  14  -5.405   4.744  -4.635
  140   2HD   LYS  14          HD1       LYS  14  -4.828   6.083  -3.640
  141   1HE   LYS  14          HE2       LYS  14  -3.006   4.153  -5.064
  142   2HE   LYS  14          HE1       LYS  14  -3.538   5.683  -5.759
  143   1HZ   LYS  14          HZ1       LYS  14  -2.391   5.826  -3.093
  144   2HZ   LYS  14          HZ2       LYS  14  -2.193   6.862  -4.415
  145   3HZ   LYS  14          HZ3       LYS  14  -1.315   5.419  -4.334
  146    H    ILE  15           HN       ILE  15  -5.664   3.359   1.157
  147    HA   ILE  15           HA       ILE  15  -8.440   3.561   1.664
  148    HB   ILE  15           HB       ILE  15  -6.324   2.499   3.537
  149   1HG1  ILE  15          HG12      ILE  15  -6.315   1.562   1.155
  150   2HG1  ILE  15          HG11      ILE  15  -6.462   0.400   2.464
  151   1HG2  ILE  15          HG21      ILE  15  -8.475   2.807   4.601
  152   2HG2  ILE  15          HG22      ILE  15  -8.157   1.087   4.380
  153   3HG2  ILE  15          HG23      ILE  15  -9.274   1.923   3.301
  154   1HD1  ILE  15          HD11      ILE  15  -8.007   0.377   0.288
  155   2HD1  ILE  15          HD12      ILE  15  -8.987   1.412   1.328
  156   3HD1  ILE  15          HD13      ILE  15  -8.546  -0.211   1.860
  157    H    GLN  16           HN       GLN  16  -5.618   5.155   2.980
  158    HA   GLN  16           HA       GLN  16  -6.879   6.277   5.262
  159   1HB   GLN  16          HB2       GLN  16  -4.285   6.260   4.129
  160   2HB   GLN  16          HB1       GLN  16  -4.748   7.948   4.301
  161   1HG   GLN  16          HG2       GLN  16  -5.508   6.806   6.700
  162   2HG   GLN  16          HG1       GLN  16  -3.981   6.015   6.314
  163   1HE2  GLN  16          HE21      GLN  16  -5.226   9.300   5.815
  164   2HE2  GLN  16          HE22      GLN  16  -3.916  10.102   6.606
  165    H    ASN  17           HN       ASN  17  -6.667   7.186   1.903
  166    HA   ASN  17           HA       ASN  17  -7.542   9.883   2.259
  167   1HB   ASN  17          HB2       ASN  17  -6.480   8.406   0.160
  168   2HB   ASN  17          HB1       ASN  17  -8.133   8.726  -0.354
  169   1HD2  ASN  17          HD21      ASN  17  -5.048  10.094   0.398
  170   2HD2  ASN  17          HD22      ASN  17  -5.372  11.682  -0.201
  171    H    TRP  18           HN       TRP  18  -9.106   6.796   1.927
  172    HA   TRP  18           HA       TRP  18 -11.697   7.932   1.333
  173   1HB   TRP  18          HB2       TRP  18 -10.510   5.260   1.424
  174   2HB   TRP  18          HB1       TRP  18 -12.140   5.312   2.086
  175    HD1  TRP  18           HD1      TRP  18 -13.852   4.693   0.304
  176    HE1  TRP  18           HE1      TRP  18 -14.118   5.079  -2.226
  177    HE3  TRP  18           HE3      TRP  18  -9.543   7.300  -0.578
  178    HZ2  TRP  18           HZ2      TRP  18 -12.691   6.323  -4.320
  179    HZ3  TRP  18           HZ3      TRP  18  -9.069   8.052  -2.872
  180    HH2  TRP  18           HH2      TRP  18 -10.611   7.573  -4.704
  181    H    LYS  19           HN       LYS  19  -9.954   6.723   4.126
  182    HA   LYS  19           HA       LYS  19 -12.282   6.837   5.838
  183   1HB   LYS  19          HB2       LYS  19 -10.815   6.096   7.600
  184   2HB   LYS  19          HB1       LYS  19 -10.489   5.145   6.158
  185   1HG   LYS  19          HG2       LYS  19  -8.347   5.596   6.600
  186   2HG   LYS  19          HG1       LYS  19  -8.696   7.170   5.883
  187   1HD   LYS  19          HD2       LYS  19  -9.532   7.442   8.507
  188   2HD   LYS  19          HD1       LYS  19  -8.063   6.473   8.634
  189   1HE   LYS  19          HE2       LYS  19  -6.865   8.148   7.291
  190   2HE   LYS  19          HE1       LYS  19  -8.332   9.122   7.217
  191   1HZ   LYS  19          HZ1       LYS  19  -8.208   9.003   9.770
  192   2HZ   LYS  19          HZ2       LYS  19  -7.168  10.060   8.956
  193   3HZ   LYS  19          HZ3       LYS  19  -6.589   8.577   9.528
  194   1HN   NH2  20          NH1       NH2  20 -12.580   8.267   7.554
  195   2HN   NH2  20          NH2       NH2  20 -11.815   9.815   7.611
  Start of MODEL   13
    1   1H    ALA   1          HT1       ALA   1  12.870  -7.314  -7.215
    2   2H    ALA   1          HT2       ALA   1  12.993  -9.023  -7.108
    3   3H    ALA   1          HT3       ALA   1  14.405  -8.052  -7.024
    4    HA   ALA   1           HA       ALA   1  14.044  -8.605  -4.873
    5   1HB   ALA   1          HB1       ALA   1  13.073  -5.924  -5.653
    6   2HB   ALA   1          HB2       ALA   1  14.416  -6.388  -4.609
    7   3HB   ALA   1          HB3       ALA   1  12.765  -6.429  -3.991
    8    H    LYS   2           HN       LYS   2  12.732  -9.264  -3.173
    9    HA   LYS   2           HA       LYS   2  10.002  -9.972  -3.961
   10   1HB   LYS   2          HB2       LYS   2  12.074 -11.272  -2.439
   11   2HB   LYS   2          HB1       LYS   2  10.616 -11.137  -1.467
   12   1HG   LYS   2          HG2       LYS   2   9.346 -12.182  -3.324
   13   2HG   LYS   2          HG1       LYS   2  10.873 -12.426  -4.173
   14   1HD   LYS   2          HD2       LYS   2  11.052 -13.396  -1.466
   15   2HD   LYS   2          HD1       LYS   2   9.675 -14.125  -2.295
   16   1HE   LYS   2          HE2       LYS   2  11.350 -15.586  -2.869
   17   2HE   LYS   2          HE1       LYS   2  11.405 -14.464  -4.229
   18   1HZ   LYS   2          HZ1       LYS   2  13.312 -14.836  -2.046
   19   2HZ   LYS   2          HZ2       LYS   2  13.115 -13.266  -2.645
   20   3HZ   LYS   2          HZ3       LYS   2  13.592 -14.513  -3.683
   21    H    LYS   3           HN       LYS   3  10.689  -7.272  -3.160
   22    HA   LYS   3           HA       LYS   3   9.287  -7.037  -0.575
   23   1HB   LYS   3          HB2       LYS   3  10.185  -4.754  -0.493
   24   2HB   LYS   3          HB1       LYS   3  11.473  -5.938  -0.662
   25   1HG   LYS   3          HG2       LYS   3  12.236  -4.807  -2.400
   26   2HG   LYS   3          HG1       LYS   3  10.748  -5.185  -3.270
   27   1HD   LYS   3          HD2       LYS   3   9.927  -3.135  -1.689
   28   2HD   LYS   3          HD1       LYS   3  11.608  -2.685  -1.985
   29   1HE   LYS   3          HE2       LYS   3   9.545  -3.326  -4.091
   30   2HE   LYS   3          HE1       LYS   3  10.116  -1.715  -3.660
   31   1HZ   LYS   3          HZ1       LYS   3  11.139  -3.086  -5.657
   32   2HZ   LYS   3          HZ2       LYS   3  12.132  -3.682  -4.424
   33   3HZ   LYS   3          HZ3       LYS   3  12.072  -2.020  -4.731
   34    H    VAL   4           HN       VAL   4   7.768  -7.706  -2.785
   35    HA   VAL   4           HA       VAL   4   6.512  -5.478  -4.010
   36    HB   VAL   4           HB       VAL   4   6.172  -7.787  -4.830
   37   1HG1  VAL   4          HG11      VAL   4   4.522  -9.223  -3.574
   38   2HG1  VAL   4          HG12      VAL   4   4.754  -8.141  -2.201
   39   3HG1  VAL   4          HG13      VAL   4   6.116  -9.062  -2.838
   40   1HG2  VAL   4          HG21      VAL   4   3.750  -6.218  -3.999
   41   2HG2  VAL   4          HG22      VAL   4   3.626  -7.679  -4.976
   42   3HG2  VAL   4          HG23      VAL   4   4.530  -6.290  -5.579
   43    H    PHE   5           HN       PHE   5   6.608  -6.747  -0.916
   44    HA   PHE   5           HA       PHE   5   4.262  -6.196   0.329
   45   1HB   PHE   5          HB2       PHE   5   6.413  -7.209   1.244
   46   2HB   PHE   5          HB1       PHE   5   6.982  -5.562   1.465
   47    HD1  PHE   5           HD1      PHE   5   5.414  -4.004   2.863
   48    HD2  PHE   5           HD2      PHE   5   5.281  -8.257   2.963
   49    HE1  PHE   5           HE1      PHE   5   4.303  -3.915   5.057
   50    HE2  PHE   5           HE2      PHE   5   4.169  -8.175   5.156
   51    HZ   PHE   5           HZ       PHE   5   3.679  -6.002   6.206
   52    H    LYS   6           HN       LYS   6   6.565  -4.017  -0.922
   53    HA   LYS   6           HA       LYS   6   5.847  -1.691   0.505
   54   1HB   LYS   6          HB2       LYS   6   7.710  -2.368  -1.488
   55   2HB   LYS   6          HB1       LYS   6   6.710  -1.107  -2.196
   56   1HG   LYS   6          HG2       LYS   6   7.557  -0.541   0.543
   57   2HG   LYS   6          HG1       LYS   6   8.888  -0.700  -0.605
   58   1HD   LYS   6          HD2       LYS   6   8.372   1.223  -1.644
   59   2HD   LYS   6          HD1       LYS   6   6.640   0.887  -1.605
   60   1HE   LYS   6          HE2       LYS   6   8.113   1.681   0.881
   61   2HE   LYS   6          HE1       LYS   6   7.555   2.898  -0.266
   62   1HZ   LYS   6          HZ1       LYS   6   5.352   2.387   0.136
   63   2HZ   LYS   6          HZ2       LYS   6   6.034   2.237   1.676
   64   3HZ   LYS   6          HZ3       LYS   6   5.697   0.854   0.763
   65    H    ARG   7           HN       ARG   7   4.641  -3.198  -2.443
   66    HA   ARG   7           HA       ARG   7   2.985  -1.101  -3.310
   67   1HB   ARG   7          HB2       ARG   7   3.029  -4.058  -3.740
   68   2HB   ARG   7          HB1       ARG   7   1.602  -3.157  -4.235
   69   1HG   ARG   7          HG2       ARG   7   2.630  -2.261  -6.006
   70   2HG   ARG   7          HG1       ARG   7   4.126  -1.969  -5.116
   71   1HD   ARG   7          HD2       ARG   7   4.726  -4.325  -5.347
   72   2HD   ARG   7          HD1       ARG   7   3.225  -4.627  -6.221
   73    HE   ARG   7           HE       ARG   7   4.169  -3.718  -8.102
   74   1HH1  ARG   7          HH11      ARG   7   6.148  -2.930  -5.337
   75   2HH1  ARG   7          HH12      ARG   7   7.443  -2.286  -6.290
   76   1HH2  ARG   7          HH21      ARG   7   5.872  -2.872  -9.357
   77   2HH2  ARG   7          HH22      ARG   7   7.286  -2.252  -8.572
   78    H    LEU   8           HN       LEU   8   2.557  -3.598  -0.885
   79    HA   LEU   8           HA       LEU   8  -0.217  -3.322  -0.498
   80   1HB   LEU   8          HB2       LEU   8   1.995  -4.640   0.811
   81   2HB   LEU   8          HB1       LEU   8   0.923  -3.925   2.001
   82    HG   LEU   8           HG       LEU   8  -0.360  -5.510  -0.151
   83   1HD1  LEU   8          HD11      LEU   8   0.906  -6.941   2.158
   84   2HD1  LEU   8          HD12      LEU   8   1.750  -6.746   0.622
   85   3HD1  LEU   8          HD13      LEU   8   0.214  -7.610   0.681
   86   1HD2  LEU   8          HD21      LEU   8  -1.531  -4.347   1.759
   87   2HD2  LEU   8          HD22      LEU   8  -0.789  -5.539   2.826
   88   3HD2  LEU   8          HD23      LEU   8  -1.899  -6.060   1.559
   89    H    GLU   9           HN       GLU   9   2.551  -1.615   0.878
   90    HA   GLU   9           HA       GLU   9   1.119  -0.104   2.780
   91   1HB   GLU   9          HB2       GLU   9   3.700  -0.430   2.423
   92   2HB   GLU   9          HB1       GLU   9   3.544   0.992   1.400
   93   1HG   GLU   9          HG2       GLU   9   2.655   2.264   3.264
   94   2HG   GLU   9          HG1       GLU   9   2.736   0.837   4.295
   95    H    LYS  10           HN       LYS  10   1.702   0.293  -0.642
   96    HA   LYS  10           HA       LYS  10   0.867   2.987  -0.861
   97   1HB   LYS  10          HB2       LYS  10   1.307   0.723  -2.734
   98   2HB   LYS  10          HB1       LYS  10   0.274   2.029  -3.300
   99   1HG   LYS  10          HG2       LYS  10   2.349   3.446  -2.321
  100   2HG   LYS  10          HG1       LYS  10   3.176   1.974  -2.836
  101   1HD   LYS  10          HD2       LYS  10   1.353   3.656  -4.556
  102   2HD   LYS  10          HD1       LYS  10   3.116   3.671  -4.613
  103   1HE   LYS  10          HE2       LYS  10   3.224   1.730  -5.754
  104   2HE   LYS  10          HE1       LYS  10   1.877   1.016  -4.866
  105   1HZ   LYS  10          HZ1       LYS  10   0.356   1.840  -6.327
  106   2HZ   LYS  10          HZ2       LYS  10   1.661   1.645  -7.385
  107   3HZ   LYS  10          HZ3       LYS  10   1.301   3.175  -6.761
  108    H    LEU  11           HN       LEU  11  -0.830  -0.108  -1.080
  109    HA   LEU  11           HA       LEU  11  -3.336   0.929  -1.849
  110   1HB   LEU  11          HB2       LEU  11  -2.507  -1.517  -1.796
  111   2HB   LEU  11          HB1       LEU  11  -3.000  -1.502  -0.114
  112    HG   LEU  11           HG       LEU  11  -4.885  -0.829  -2.365
  113   1HD1  LEU  11          HD11      LEU  11  -4.000  -3.112  -2.646
  114   2HD1  LEU  11          HD12      LEU  11  -5.716  -3.092  -2.241
  115   3HD1  LEU  11          HD13      LEU  11  -4.522  -3.495  -1.006
  116   1HD2  LEU  11          HD21      LEU  11  -6.422  -1.766  -0.407
  117   2HD2  LEU  11          HD22      LEU  11  -5.951  -0.070  -0.507
  118   3HD2  LEU  11          HD23      LEU  11  -5.085  -1.162   0.573
  119    H    PHE  12           HN       PHE  12  -1.745   0.603   1.251
  120    HA   PHE  12           HA       PHE  12  -4.022   1.104   2.866
  121   1HB   PHE  12          HB2       PHE  12  -1.440   0.360   3.371
  122   2HB   PHE  12          HB1       PHE  12  -1.424   2.038   3.902
  123    HD1  PHE  12           HD1      PHE  12  -1.412   1.994   6.208
  124    HD2  PHE  12           HD2      PHE  12  -4.107  -0.534   4.097
  125    HE1  PHE  12           HE1      PHE  12  -2.451   1.329   8.337
  126    HE2  PHE  12           HE2      PHE  12  -5.151  -1.203   6.222
  127    HZ   PHE  12           HZ       PHE  12  -4.323  -0.271   8.346
  128    H    SER  13           HN       SER  13  -1.758   3.132   1.150
  129    HA   SER  13           HA       SER  13  -2.376   5.576   2.428
  130   1HB   SER  13          HB2       SER  13  -1.127   6.616   0.735
  131   2HB   SER  13          HB1       SER  13  -0.416   5.005   0.821
  132    HG   SER  13           HG       SER  13  -1.062   4.645  -1.142
  133    H    LYS  14           HN       LYS  14  -3.854   3.771  -0.187
  134    HA   LYS  14           HA       LYS  14  -5.535   5.819  -1.164
  135   1HB   LYS  14          HB2       LYS  14  -5.292   2.911  -1.471
  136   2HB   LYS  14          HB1       LYS  14  -6.945   3.494  -1.606
  137   1HG   LYS  14          HG2       LYS  14  -5.324   5.231  -3.131
  138   2HG   LYS  14          HG1       LYS  14  -4.850   3.579  -3.531
  139   1HD   LYS  14          HD2       LYS  14  -6.929   3.042  -4.364
  140   2HD   LYS  14          HD1       LYS  14  -7.750   4.265  -3.392
  141   1HE   LYS  14          HE2       LYS  14  -5.901   4.901  -5.684
  142   2HE   LYS  14          HE1       LYS  14  -7.651   4.758  -5.846
  143   1HZ   LYS  14          HZ1       LYS  14  -7.772   6.509  -4.049
  144   2HZ   LYS  14          HZ2       LYS  14  -7.221   7.029  -5.562
  145   3HZ   LYS  14          HZ3       LYS  14  -6.119   6.767  -4.306
  146    H    ILE  15           HN       ILE  15  -5.844   3.502   1.464
  147    HA   ILE  15           HA       ILE  15  -8.576   3.936   2.021
  148    HB   ILE  15           HB       ILE  15  -6.421   3.186   3.998
  149   1HG1  ILE  15          HG12      ILE  15  -6.558   1.781   1.865
  150   2HG1  ILE  15          HG11      ILE  15  -6.693   0.919   3.390
  151   1HG2  ILE  15          HG21      ILE  15  -8.422   3.751   5.143
  152   2HG2  ILE  15          HG22      ILE  15  -8.336   1.990   5.101
  153   3HG2  ILE  15          HG23      ILE  15  -9.411   2.847   3.997
  154   1HD1  ILE  15          HD11      ILE  15  -8.296   0.045   1.847
  155   2HD1  ILE  15          HD12      ILE  15  -8.930   1.658   1.523
  156   3HD1  ILE  15          HD13      ILE  15  -9.154   0.925   3.112
  157    H    GLN  16           HN       GLN  16  -5.654   5.650   2.880
  158    HA   GLN  16           HA       GLN  16  -6.749   7.257   4.936
  159   1HB   GLN  16          HB2       GLN  16  -4.294   6.900   4.454
  160   2HB   GLN  16          HB1       GLN  16  -4.474   7.999   3.093
  161   1HG   GLN  16          HG2       GLN  16  -5.160   9.778   4.618
  162   2HG   GLN  16          HG1       GLN  16  -4.977   8.676   5.982
  163   1HE2  GLN  16          HE21      GLN  16  -2.886   7.970   6.553
  164   2HE2  GLN  16          HE22      GLN  16  -1.483   8.870   6.098
  165    H    ASN  17           HN       ASN  17  -6.785   7.437   1.458
  166    HA   ASN  17           HA       ASN  17  -7.557  10.169   1.260
  167   1HB   ASN  17          HB2       ASN  17  -7.904   7.883  -0.692
  168   2HB   ASN  17          HB1       ASN  17  -8.172   9.582  -1.071
  169   1HD2  ASN  17          HD21      ASN  17  -6.175  10.944  -0.184
  170   2HD2  ASN  17          HD22      ASN  17  -4.650  10.371  -0.760
  171    H    TRP  18           HN       TRP  18  -9.268   7.177   1.786
  172    HA   TRP  18           HA       TRP  18 -11.860   8.317   1.222
  173   1HB   TRP  18          HB2       TRP  18 -11.333   5.720   2.660
  174   2HB   TRP  18          HB1       TRP  18 -12.758   6.180   1.734
  175    HD1  TRP  18           HD1      TRP  18 -10.408   3.711   1.343
  176    HE1  TRP  18           HE1      TRP  18  -9.650   3.316  -1.085
  177    HE3  TRP  18           HE3      TRP  18 -11.944   8.131  -0.722
  178    HZ2  TRP  18           HZ2      TRP  18  -9.698   4.692  -3.547
  179    HZ3  TRP  18           HZ3      TRP  18 -11.550   8.512  -3.119
  180    HH2  TRP  18           HH2      TRP  18 -10.450   6.827  -4.502
  181    H    LYS  19           HN       LYS  19  -9.931   7.535   4.069
  182    HA   LYS  19           HA       LYS  19 -12.050   8.328   5.877
  183   1HB   LYS  19          HB2       LYS  19 -10.418   7.837   7.653
  184   2HB   LYS  19          HB1       LYS  19 -10.587   6.496   6.528
  185   1HG   LYS  19          HG2       LYS  19  -8.471   6.694   5.755
  186   2HG   LYS  19          HG1       LYS  19  -8.438   8.445   5.964
  187   1HD   LYS  19          HD2       LYS  19  -7.704   8.310   8.107
  188   2HD   LYS  19          HD1       LYS  19  -8.598   6.824   8.432
  189   1HE   LYS  19          HE2       LYS  19  -6.006   7.104   6.920
  190   2HE   LYS  19          HE1       LYS  19  -6.248   6.335   8.489
  191   1HZ   LYS  19          HZ1       LYS  19  -7.882   4.853   7.147
  192   2HZ   LYS  19          HZ2       LYS  19  -6.220   4.541   7.086
  193   3HZ   LYS  19          HZ3       LYS  19  -6.972   5.362   5.813
  194   1HN   NH2  20          NH1       NH2  20  -9.175   9.688   4.479
  195   2HN   NH2  20          NH2       NH2  20  -9.287  11.238   5.233
  Start of MODEL   14
    1   1H    ALA   1          HT1       ALA   1  13.804 -10.149  -5.870
    2   2H    ALA   1          HT2       ALA   1  12.856 -11.116  -4.816
    3   3H    ALA   1          HT3       ALA   1  13.572  -9.666  -4.242
    4    HA   ALA   1           HA       ALA   1  12.161  -8.337  -5.408
    5   1HB   ALA   1          HB1       ALA   1  12.023  -9.019  -7.564
    6   2HB   ALA   1          HB2       ALA   1  10.481  -9.668  -7.004
    7   3HB   ALA   1          HB3       ALA   1  11.888 -10.724  -7.133
    8    H    LYS   2           HN       LYS   2  12.038  -9.995  -3.002
    9    HA   LYS   2           HA       LYS   2   9.179 -10.588  -2.789
   10   1HB   LYS   2          HB2       LYS   2  11.403 -11.912  -1.830
   11   2HB   LYS   2          HB1       LYS   2  10.817 -11.058  -0.410
   12   1HG   LYS   2          HG2       LYS   2   9.457 -12.794  -0.126
   13   2HG   LYS   2          HG1       LYS   2   8.517 -12.120  -1.458
   14   1HD   LYS   2          HD2       LYS   2  10.818 -13.781  -2.245
   15   2HD   LYS   2          HD1       LYS   2   9.514 -14.636  -1.419
   16   1HE   LYS   2          HE2       LYS   2   8.932 -12.767  -3.687
   17   2HE   LYS   2          HE1       LYS   2   9.443 -14.426  -3.996
   18   1HZ   LYS   2          HZ1       LYS   2   7.535 -15.279  -3.047
   19   2HZ   LYS   2          HZ2       LYS   2   6.946 -13.899  -3.829
   20   3HZ   LYS   2          HZ3       LYS   2   7.205 -13.877  -2.158
   21    H    LYS   3           HN       LYS   3   9.938  -7.871  -3.003
   22    HA   LYS   3           HA       LYS   3   9.132  -6.903  -0.334
   23   1HB   LYS   3          HB2       LYS   3  11.584  -6.435  -1.110
   24   2HB   LYS   3          HB1       LYS   3  10.841  -5.238  -2.161
   25   1HG   LYS   3          HG2       LYS   3   9.672  -4.581   0.163
   26   2HG   LYS   3          HG1       LYS   3  11.198  -5.235   0.763
   27   1HD   LYS   3          HD2       LYS   3  12.030  -3.669  -1.316
   28   2HD   LYS   3          HD1       LYS   3  10.653  -2.755  -0.699
   29   1HE   LYS   3          HE2       LYS   3  11.704  -2.221   1.220
   30   2HE   LYS   3          HE1       LYS   3  12.473  -3.802   1.356
   31   1HZ   LYS   3          HZ1       LYS   3  13.348  -1.623  -0.464
   32   2HZ   LYS   3          HZ2       LYS   3  14.101  -3.126  -0.280
   33   3HZ   LYS   3          HZ3       LYS   3  14.086  -2.026   1.004
   34    H    VAL   4           HN       VAL   4   7.393  -7.591  -2.396
   35    HA   VAL   4           HA       VAL   4   6.528  -5.307  -3.865
   36    HB   VAL   4           HB       VAL   4   4.730  -7.545  -2.925
   37   1HG1  VAL   4          HG11      VAL   4   3.917  -5.397  -4.137
   38   2HG1  VAL   4          HG12      VAL   4   3.318  -6.970  -4.663
   39   3HG1  VAL   4          HG13      VAL   4   4.596  -6.164  -5.572
   40   1HG2  VAL   4          HG21      VAL   4   6.946  -7.612  -4.873
   41   2HG2  VAL   4          HG22      VAL   4   5.433  -8.355  -5.391
   42   3HG2  VAL   4          HG23      VAL   4   6.231  -8.913  -3.920
   43    H    PHE   5           HN       PHE   5   6.547  -6.197  -0.659
   44    HA   PHE   5           HA       PHE   5   4.350  -5.286   0.594
   45   1HB   PHE   5          HB2       PHE   5   6.400  -6.311   1.606
   46   2HB   PHE   5          HB1       PHE   5   7.194  -4.752   1.450
   47    HD1  PHE   5           HD1      PHE   5   6.721  -2.959   2.960
   48    HD2  PHE   5           HD2      PHE   5   4.553  -6.613   3.200
   49    HE1  PHE   5           HE1      PHE   5   5.835  -2.285   5.155
   50    HE2  PHE   5           HE2      PHE   5   3.662  -5.945   5.394
   51    HZ   PHE   5           HZ       PHE   5   4.303  -3.779   6.374
   52    H    LYS   6           HN       LYS   6   6.711  -3.426  -1.028
   53    HA   LYS   6           HA       LYS   6   6.132  -0.897   0.102
   54   1HB   LYS   6          HB2       LYS   6   8.206  -1.413  -1.178
   55   2HB   LYS   6          HB1       LYS   6   7.244  -1.499  -2.647
   56   1HG   LYS   6          HG2       LYS   6   6.706   0.975  -1.335
   57   2HG   LYS   6          HG1       LYS   6   8.451   0.762  -1.476
   58   1HD   LYS   6          HD2       LYS   6   8.152   1.615  -3.538
   59   2HD   LYS   6          HD1       LYS   6   7.633  -0.023  -3.941
   60   1HE   LYS   6          HE2       LYS   6   5.379   0.539  -3.870
   61   2HE   LYS   6          HE1       LYS   6   5.669   1.977  -2.892
   62   1HZ   LYS   6          HZ1       LYS   6   6.393   3.172  -4.717
   63   2HZ   LYS   6          HZ2       LYS   6   5.131   2.256  -5.371
   64   3HZ   LYS   6          HZ3       LYS   6   6.737   1.793  -5.634
   65    H    ARG   7           HN       ARG   7   4.944  -2.596  -2.774
   66    HA   ARG   7           HA       ARG   7   3.298  -0.498  -3.704
   67   1HB   ARG   7          HB2       ARG   7   3.468  -3.435  -4.183
   68   2HB   ARG   7          HB1       ARG   7   1.988  -2.613  -4.660
   69   1HG   ARG   7          HG2       ARG   7   4.481  -1.312  -5.516
   70   2HG   ARG   7          HG1       ARG   7   4.150  -2.885  -6.244
   71   1HD   ARG   7          HD2       ARG   7   2.337  -0.476  -6.244
   72   2HD   ARG   7          HD1       ARG   7   3.218  -1.131  -7.623
   73    HE   ARG   7           HE       ARG   7   0.738  -2.085  -6.542
   74   1HH1  ARG   7          HH11      ARG   7   3.593  -2.986  -8.336
   75   2HH1  ARG   7          HH12      ARG   7   2.824  -4.317  -9.133
   76   1HH2  ARG   7          HH21      ARG   7  -0.274  -3.836  -7.588
   77   2HH2  ARG   7          HH22      ARG   7   0.628  -4.800  -8.710
   78    H    LEU   8           HN       LEU   8   2.924  -2.889  -1.209
   79    HA   LEU   8           HA       LEU   8   0.107  -2.716  -0.940
   80   1HB   LEU   8          HB2       LEU   8   1.926  -4.388   0.065
   81   2HB   LEU   8          HB1       LEU   8   1.807  -3.296   1.431
   82    HG   LEU   8           HG       LEU   8  -0.669  -4.496   0.242
   83   1HD1  LEU   8          HD11      LEU   8   0.733  -6.401   0.648
   84   2HD1  LEU   8          HD12      LEU   8  -0.478  -6.304   1.926
   85   3HD1  LEU   8          HD13      LEU   8   1.178  -5.787   2.241
   86   1HD2  LEU   8          HD21      LEU   8  -0.352  -2.612   2.129
   87   2HD2  LEU   8          HD22      LEU   8  -0.302  -4.058   3.137
   88   3HD2  LEU   8          HD23      LEU   8  -1.700  -3.749   2.107
   89    H    GLU   9           HN       GLU   9   2.811  -0.914   0.441
   90    HA   GLU   9           HA       GLU   9   1.279   0.516   2.342
   91   1HB   GLU   9          HB2       GLU   9   3.177   1.855   2.695
   92   2HB   GLU   9          HB1       GLU   9   3.827   0.289   2.235
   93   1HG   GLU   9          HG2       GLU   9   5.004   1.258   0.640
   94   2HG   GLU   9          HG1       GLU   9   3.515   1.785  -0.139
   95    H    LYS  10           HN       LYS  10   1.802   0.886  -1.075
   96    HA   LYS  10           HA       LYS  10   0.912   3.585  -1.269
   97   1HB   LYS  10          HB2       LYS  10   2.159   1.927  -2.989
   98   2HB   LYS  10          HB1       LYS  10   0.509   1.755  -3.571
   99   1HG   LYS  10          HG2       LYS  10   1.781   4.442  -3.172
  100   2HG   LYS  10          HG1       LYS  10   1.957   3.528  -4.671
  101   1HD   LYS  10          HD2       LYS  10   0.075   4.590  -5.287
  102   2HD   LYS  10          HD1       LYS  10  -0.733   3.398  -4.268
  103   1HE   LYS  10          HE2       LYS  10  -1.589   5.165  -3.195
  104   2HE   LYS  10          HE1       LYS  10   0.004   5.307  -2.454
  105   1HZ   LYS  10          HZ1       LYS  10   0.639   6.844  -4.213
  106   2HZ   LYS  10          HZ2       LYS  10  -0.719   7.411  -3.379
  107   3HZ   LYS  10          HZ3       LYS  10  -0.898   6.714  -4.909
  108    H    LEU  11           HN       LEU  11  -0.657   0.430  -1.691
  109    HA   LEU  11           HA       LEU  11  -3.204   1.474  -2.359
  110   1HB   LEU  11          HB2       LEU  11  -2.125  -1.003  -2.383
  111   2HB   LEU  11          HB1       LEU  11  -3.070  -1.105  -0.910
  112    HG   LEU  11           HG       LEU  11  -5.084  -0.422  -2.219
  113   1HD1  LEU  11          HD11      LEU  11  -3.765  -1.132  -4.756
  114   2HD1  LEU  11          HD12      LEU  11  -3.368   0.453  -4.093
  115   3HD1  LEU  11          HD13      LEU  11  -5.048   0.032  -4.426
  116   1HD2  LEU  11          HD21      LEU  11  -5.482  -2.580  -3.124
  117   2HD2  LEU  11          HD22      LEU  11  -4.440  -2.800  -1.719
  118   3HD2  LEU  11          HD23      LEU  11  -3.758  -2.879  -3.343
  119    H    PHE  12           HN       PHE  12  -1.546   0.863   0.645
  120    HA   PHE  12           HA       PHE  12  -3.811   1.057   2.348
  121   1HB   PHE  12          HB2       PHE  12  -1.044   0.561   2.650
  122   2HB   PHE  12          HB1       PHE  12  -1.405   1.967   3.645
  123    HD1  PHE  12           HD1      PHE  12  -1.937  -1.603   3.174
  124    HD2  PHE  12           HD2      PHE  12  -2.951   1.801   5.518
  125    HE1  PHE  12           HE1      PHE  12  -2.845  -3.081   4.920
  126    HE2  PHE  12           HE2      PHE  12  -3.860   0.330   7.269
  127    HZ   PHE  12           HZ       PHE  12  -3.807  -2.114   6.971
  128    H    SER  13           HN       SER  13  -1.674   3.359   0.827
  129    HA   SER  13           HA       SER  13  -2.339   5.606   2.417
  130   1HB   SER  13          HB2       SER  13  -0.989   5.143  -0.187
  131   2HB   SER  13          HB1       SER  13  -1.667   6.751   0.070
  132    HG   SER  13           HG       SER  13   0.507   5.549   1.238
  133    H    LYS  14           HN       LYS  14  -3.781   4.127  -0.426
  134    HA   LYS  14           HA       LYS  14  -5.574   6.238  -1.029
  135   1HB   LYS  14          HB2       LYS  14  -5.573   3.294  -1.678
  136   2HB   LYS  14          HB1       LYS  14  -6.867   4.362  -2.204
  137   1HG   LYS  14          HG2       LYS  14  -5.180   5.752  -3.371
  138   2HG   LYS  14          HG1       LYS  14  -3.953   4.564  -2.929
  139   1HD   LYS  14          HD2       LYS  14  -5.554   2.863  -4.058
  140   2HD   LYS  14          HD1       LYS  14  -6.261   4.291  -4.818
  141   1HE   LYS  14          HE2       LYS  14  -3.327   3.614  -4.913
  142   2HE   LYS  14          HE1       LYS  14  -4.481   3.148  -6.162
  143   1HZ   LYS  14          HZ1       LYS  14  -3.229   5.228  -6.627
  144   2HZ   LYS  14          HZ2       LYS  14  -4.020   5.955  -5.321
  145   3HZ   LYS  14          HZ3       LYS  14  -4.910   5.417  -6.655
  146    H    ILE  15           HN       ILE  15  -5.687   3.506   1.156
  147    HA   ILE  15           HA       ILE  15  -8.459   3.666   1.759
  148    HB   ILE  15           HB       ILE  15  -6.269   2.590   3.540
  149   1HG1  ILE  15          HG12      ILE  15  -7.885   1.141   1.431
  150   2HG1  ILE  15          HG11      ILE  15  -6.189   1.589   1.277
  151   1HG2  ILE  15          HG21      ILE  15  -8.956   1.382   3.495
  152   2HG2  ILE  15          HG22      ILE  15  -8.849   3.001   4.187
  153   3HG2  ILE  15          HG23      ILE  15  -7.870   1.691   4.849
  154   1HD1  ILE  15          HD11      ILE  15  -7.380  -0.364   3.228
  155   2HD1  ILE  15          HD12      ILE  15  -5.696   0.162   3.243
  156   3HD1  ILE  15          HD13      ILE  15  -6.331  -0.722   1.856
  157    H    GLN  16           HN       GLN  16  -5.598   5.284   2.935
  158    HA   GLN  16           HA       GLN  16  -6.768   6.379   5.287
  159   1HB   GLN  16          HB2       GLN  16  -4.251   6.150   4.568
  160   2HB   GLN  16          HB1       GLN  16  -4.520   7.725   3.835
  161   1HG   GLN  16          HG2       GLN  16  -5.537   7.701   6.517
  162   2HG   GLN  16          HG1       GLN  16  -3.860   7.158   6.493
  163   1HE2  GLN  16          HE21      GLN  16  -2.520   8.753   6.890
  164   2HE2  GLN  16          HE22      GLN  16  -2.678  10.384   6.343
  165    H    ASN  17           HN       ASN  17  -6.644   7.323   1.927
  166    HA   ASN  17           HA       ASN  17  -7.525  10.011   2.337
  167   1HB   ASN  17          HB2       ASN  17  -7.435   8.235  -0.104
  168   2HB   ASN  17          HB1       ASN  17  -8.009   9.899  -0.152
  169   1HD2  ASN  17          HD21      ASN  17  -5.588   8.343  -1.205
  170   2HD2  ASN  17          HD22      ASN  17  -4.254   9.366  -0.807
  171    H    TRP  18           HN       TRP  18  -9.079   6.918   1.888
  172    HA   TRP  18           HA       TRP  18 -11.693   8.091   1.463
  173   1HB   TRP  18          HB2       TRP  18 -10.488   5.463   1.190
  174   2HB   TRP  18          HB1       TRP  18 -12.033   5.375   2.028
  175    HD1  TRP  18           HD1      TRP  18 -11.321   7.882  -0.802
  176    HE1  TRP  18           HE1      TRP  18 -12.892   7.348  -2.769
  177    HE3  TRP  18           HE3      TRP  18 -13.412   3.569   0.976
  178    HZ2  TRP  18           HZ2      TRP  18 -14.768   5.361  -3.474
  179    HZ3  TRP  18           HZ3      TRP  18 -15.086   2.412  -0.407
  180    HH2  TRP  18           HH2      TRP  18 -15.750   3.291  -2.586
  181    H    LYS  19           HN       LYS  19  -9.828   6.718   4.078
  182    HA   LYS  19           HA       LYS  19 -11.971   6.348   5.898
  183   1HB   LYS  19          HB2       LYS  19  -9.041   6.243   5.975
  184   2HB   LYS  19          HB1       LYS  19  -9.766   6.778   7.484
  185   1HG   LYS  19          HG2       LYS  19 -10.866   4.773   7.821
  186   2HG   LYS  19          HG1       LYS  19 -10.790   4.329   6.115
  187   1HD   LYS  19          HD2       LYS  19  -9.117   2.987   6.829
  188   2HD   LYS  19          HD1       LYS  19  -8.162   4.462   6.677
  189   1HE   LYS  19          HE2       LYS  19  -7.635   4.243   8.826
  190   2HE   LYS  19          HE1       LYS  19  -9.316   4.611   9.209
  191   1HZ   LYS  19          HZ1       LYS  19  -8.014   1.971   8.988
  192   2HZ   LYS  19          HZ2       LYS  19  -9.692   2.125   8.843
  193   3HZ   LYS  19          HZ3       LYS  19  -8.920   2.603  10.270
  194   1HN   NH2  20          NH1       NH2  20 -13.135   7.824   6.893
  195   2HN   NH2  20          NH2       NH2  20 -12.663   9.451   7.234
  Start of MODEL   15
    1   1H    ALA   1          HT1       ALA   1  13.348  -9.256  -7.651
    2   2H    ALA   1          HT2       ALA   1  11.635  -9.178  -7.731
    3   3H    ALA   1          HT3       ALA   1  12.401 -10.500  -6.949
    4    HA   ALA   1           HA       ALA   1  13.323  -8.987  -5.330
    5   1HB   ALA   1          HB1       ALA   1  13.273  -6.989  -6.777
    6   2HB   ALA   1          HB2       ALA   1  12.521  -6.713  -5.206
    7   3HB   ALA   1          HB3       ALA   1  11.515  -6.957  -6.634
    8    H    LYS   2           HN       LYS   2  12.378  -9.552  -3.485
    9    HA   LYS   2           HA       LYS   2   9.518 -10.179  -3.514
   10   1HB   LYS   2          HB2       LYS   2  11.446 -11.759  -2.688
   11   2HB   LYS   2          HB1       LYS   2  11.326 -10.810  -1.213
   12   1HG   LYS   2          HG2       LYS   2   8.742 -11.722  -2.202
   13   2HG   LYS   2          HG1       LYS   2   9.852 -13.038  -1.816
   14   1HD   LYS   2          HD2       LYS   2  10.248 -11.567   0.355
   15   2HD   LYS   2          HD1       LYS   2   8.625 -10.996  -0.038
   16   1HE   LYS   2          HE2       LYS   2   7.669 -13.061   0.309
   17   2HE   LYS   2          HE1       LYS   2   9.167 -13.928  -0.025
   18   1HZ   LYS   2          HZ1       LYS   2   8.203 -13.574   2.419
   19   2HZ   LYS   2          HZ2       LYS   2   9.182 -12.199   2.312
   20   3HZ   LYS   2          HZ3       LYS   2   9.856 -13.735   2.097
   21    H    LYS   3           HN       LYS   3  10.295  -7.446  -3.441
   22    HA   LYS   3           HA       LYS   3   9.481  -6.691  -0.702
   23   1HB   LYS   3          HB2       LYS   3  11.778  -5.926  -1.687
   24   2HB   LYS   3          HB1       LYS   3  10.809  -4.787  -2.613
   25   1HG   LYS   3          HG2       LYS   3  11.514  -3.621  -0.704
   26   2HG   LYS   3          HG1       LYS   3   9.824  -4.035  -0.407
   27   1HD   LYS   3          HD2       LYS   3  10.949  -4.520   1.605
   28   2HD   LYS   3          HD1       LYS   3  10.700  -6.081   0.822
   29   1HE   LYS   3          HE2       LYS   3  12.930  -6.065   1.637
   30   2HE   LYS   3          HE1       LYS   3  13.022  -5.869  -0.113
   31   1HZ   LYS   3          HZ1       LYS   3  12.942  -3.328   0.665
   32   2HZ   LYS   3          HZ2       LYS   3  14.383  -4.188   0.451
   33   3HZ   LYS   3          HZ3       LYS   3  13.728  -4.008   2.001
   34    H    VAL   4           HN       VAL   4   7.623  -7.502  -2.602
   35    HA   VAL   4           HA       VAL   4   6.376  -5.282  -3.885
   36    HB   VAL   4           HB       VAL   4   5.816  -7.588  -4.534
   37   1HG1  VAL   4          HG11      VAL   4   5.989  -8.713  -2.422
   38   2HG1  VAL   4          HG12      VAL   4   4.357  -8.946  -3.049
   39   3HG1  VAL   4          HG13      VAL   4   4.648  -7.776  -1.762
   40   1HG2  VAL   4          HG21      VAL   4   3.350  -6.331  -3.358
   41   2HG2  VAL   4          HG22      VAL   4   3.494  -7.288  -4.833
   42   3HG2  VAL   4          HG23      VAL   4   4.178  -5.664  -4.765
   43    H    PHE   5           HN       PHE   5   6.843  -6.230  -0.738
   44    HA   PHE   5           HA       PHE   5   4.681  -5.609   0.755
   45   1HB   PHE   5          HB2       PHE   5   6.912  -6.466   1.518
   46   2HB   PHE   5          HB1       PHE   5   7.529  -4.828   1.373
   47    HD1  PHE   5           HD1      PHE   5   7.913  -3.954   3.462
   48    HD2  PHE   5           HD2      PHE   5   4.378  -6.230   2.804
   49    HE1  PHE   5           HE1      PHE   5   7.179  -3.471   5.760
   50    HE2  PHE   5           HE2      PHE   5   3.637  -5.751   5.100
   51    HZ   PHE   5           HZ       PHE   5   5.038  -4.370   6.582
   52    H    LYS   6           HN       LYS   6   6.666  -3.474  -1.017
   53    HA   LYS   6           HA       LYS   6   5.947  -1.058   0.292
   54   1HB   LYS   6          HB2       LYS   6   7.922  -1.533  -1.338
   55   2HB   LYS   6          HB1       LYS   6   6.748  -1.188  -2.601
   56   1HG   LYS   6          HG2       LYS   6   6.729   1.022  -2.168
   57   2HG   LYS   6          HG1       LYS   6   6.914   0.794  -0.428
   58   1HD   LYS   6          HD2       LYS   6   9.317   0.027  -1.044
   59   2HD   LYS   6          HD1       LYS   6   9.011   0.869  -2.564
   60   1HE   LYS   6          HE2       LYS   6   8.567   2.927  -1.374
   61   2HE   LYS   6          HE1       LYS   6   8.740   2.102   0.174
   62   1HZ   LYS   6          HZ1       LYS   6  10.748   3.280  -0.331
   63   2HZ   LYS   6          HZ2       LYS   6  10.872   2.538  -1.846
   64   3HZ   LYS   6          HZ3       LYS   6  11.062   1.621  -0.437
   65    H    ARG   7           HN       ARG   7   4.624  -2.893  -2.398
   66    HA   ARG   7           HA       ARG   7   2.775  -0.951  -3.279
   67   1HB   ARG   7          HB2       ARG   7   3.258  -3.807  -3.725
   68   2HB   ARG   7          HB1       ARG   7   1.558  -3.365  -3.807
   69   1HG   ARG   7          HG2       ARG   7   2.376  -1.477  -5.378
   70   2HG   ARG   7          HG1       ARG   7   3.827  -2.471  -5.531
   71   1HD   ARG   7          HD2       ARG   7   1.261  -3.890  -5.827
   72   2HD   ARG   7          HD1       ARG   7   1.642  -2.728  -7.097
   73    HE   ARG   7           HE       ARG   7   3.845  -4.446  -6.530
   74   1HH1  ARG   7          HH11      ARG   7   0.801  -4.273  -8.228
   75   2HH1  ARG   7          HH12      ARG   7   1.246  -5.462  -9.405
   76   1HH2  ARG   7          HH21      ARG   7   4.433  -6.011  -8.078
   77   2HH2  ARG   7          HH22      ARG   7   3.307  -6.450  -9.319
   78    H    LEU   8           HN       LEU   8   2.750  -3.310  -0.697
   79    HA   LEU   8           HA       LEU   8  -0.011  -3.239  -0.121
   80   1HB   LEU   8          HB2       LEU   8   2.442  -4.161   1.238
   81   2HB   LEU   8          HB1       LEU   8   1.104  -3.762   2.298
   82    HG   LEU   8           HG       LEU   8  -0.291  -5.311   0.765
   83   1HD1  LEU   8          HD11      LEU   8   1.467  -7.196   0.053
   84   2HD1  LEU   8          HD12      LEU   8   2.465  -5.764  -0.198
   85   3HD1  LEU   8          HD13      LEU   8   0.923  -5.924  -1.041
   86   1HD2  LEU   8          HD21      LEU   8  -0.090  -6.895   2.360
   87   2HD2  LEU   8          HD22      LEU   8   0.885  -5.661   3.158
   88   3HD2  LEU   8          HD23      LEU   8   1.669  -6.947   2.240
   89    H    GLU   9           HN       GLU   9   2.735  -1.373   1.163
   90    HA   GLU   9           HA       GLU   9   1.185   0.139   2.984
   91   1HB   GLU   9          HB2       GLU   9   3.097   1.605   3.164
   92   2HB   GLU   9          HB1       GLU   9   3.661  -0.058   3.099
   93   1HG   GLU   9          HG2       GLU   9   4.686   0.220   1.104
   94   2HG   GLU   9          HG1       GLU   9   3.504   1.395   0.531
   95    H    LYS  10           HN       LYS  10   1.753   0.362  -0.431
   96    HA   LYS  10           HA       LYS  10   0.927   3.070  -0.754
   97   1HB   LYS  10          HB2       LYS  10   1.479   0.762  -2.539
   98   2HB   LYS  10          HB1       LYS  10   0.426   2.017  -3.177
   99   1HG   LYS  10          HG2       LYS  10   2.090   3.616  -3.146
  100   2HG   LYS  10          HG1       LYS  10   3.034   2.757  -1.929
  101   1HD   LYS  10          HD2       LYS  10   4.256   2.380  -3.860
  102   2HD   LYS  10          HD1       LYS  10   3.258   0.929  -3.758
  103   1HE   LYS  10          HE2       LYS  10   2.044   3.170  -5.218
  104   2HE   LYS  10          HE1       LYS  10   3.492   2.497  -5.965
  105   1HZ   LYS  10          HZ1       LYS  10   2.458   0.572  -6.443
  106   2HZ   LYS  10          HZ2       LYS  10   1.058   1.516  -6.351
  107   3HZ   LYS  10          HZ3       LYS  10   1.528   0.572  -5.029
  108    H    LEU  11           HN       LEU  11  -0.704  -0.055  -0.815
  109    HA   LEU  11           HA       LEU  11  -3.209   0.910  -1.721
  110   1HB   LEU  11          HB2       LEU  11  -2.092  -1.582  -0.945
  111   2HB   LEU  11          HB1       LEU  11  -3.542  -1.347   0.011
  112    HG   LEU  11           HG       LEU  11  -4.036  -2.600  -2.015
  113   1HD1  LEU  11          HD11      LEU  11  -5.515  -0.629  -1.015
  114   2HD1  LEU  11          HD12      LEU  11  -6.004  -1.554  -2.435
  115   3HD1  LEU  11          HD13      LEU  11  -5.251   0.029  -2.630
  116   1HD2  LEU  11          HD21      LEU  11  -2.133  -1.148  -3.232
  117   2HD2  LEU  11          HD22      LEU  11  -3.569  -0.294  -3.795
  118   3HD2  LEU  11          HD23      LEU  11  -3.395  -2.021  -4.102
  119    H    PHE  12           HN       PHE  12  -1.692   0.669   1.424
  120    HA   PHE  12           HA       PHE  12  -4.014   1.196   2.966
  121   1HB   PHE  12          HB2       PHE  12  -1.445   0.460   3.553
  122   2HB   PHE  12          HB1       PHE  12  -1.449   2.144   4.065
  123    HD1  PHE  12           HD1      PHE  12  -3.935   2.658   5.258
  124    HD2  PHE  12           HD2      PHE  12  -1.706  -0.967   5.319
  125    HE1  PHE  12           HE1      PHE  12  -5.044   2.016   7.359
  126    HE2  PHE  12           HE2      PHE  12  -2.811  -1.616   7.420
  127    HZ   PHE  12           HZ       PHE  12  -4.483  -0.123   8.442
  128    H    SER  13           HN       SER  13  -1.726   3.186   1.246
  129    HA   SER  13           HA       SER  13  -2.382   5.654   2.480
  130   1HB   SER  13          HB2       SER  13  -1.168   5.003  -0.213
  131   2HB   SER  13          HB1       SER  13  -1.356   6.647   0.394
  132    HG   SER  13           HG       SER  13   0.696   5.902   0.910
  133    H    LYS  14           HN       LYS  14  -3.708   3.837  -0.218
  134    HA   LYS  14           HA       LYS  14  -5.379   5.898  -1.220
  135   1HB   LYS  14          HB2       LYS  14  -5.000   3.028  -1.672
  136   2HB   LYS  14          HB1       LYS  14  -6.671   3.542  -1.858
  137   1HG   LYS  14          HG2       LYS  14  -5.683   3.676  -3.994
  138   2HG   LYS  14          HG1       LYS  14  -5.834   5.335  -3.411
  139   1HD   LYS  14          HD2       LYS  14  -3.454   5.195  -2.650
  140   2HD   LYS  14          HD1       LYS  14  -3.347   3.631  -3.459
  141   1HE   LYS  14          HE2       LYS  14  -4.345   5.977  -4.999
  142   2HE   LYS  14          HE1       LYS  14  -2.617   5.854  -4.671
  143   1HZ   LYS  14          HZ1       LYS  14  -3.041   4.822  -6.750
  144   2HZ   LYS  14          HZ2       LYS  14  -4.311   3.899  -6.121
  145   3HZ   LYS  14          HZ3       LYS  14  -2.720   3.581  -5.644
  146    H    ILE  15           HN       ILE  15  -5.763   3.437   1.259
  147    HA   ILE  15           HA       ILE  15  -8.545   3.811   1.669
  148    HB   ILE  15           HB       ILE  15  -6.517   2.855   3.696
  149   1HG1  ILE  15          HG12      ILE  15  -8.127   1.221   1.721
  150   2HG1  ILE  15          HG11      ILE  15  -6.413   1.587   1.554
  151   1HG2  ILE  15          HG21      ILE  15  -8.777   1.484   4.209
  152   2HG2  ILE  15          HG22      ILE  15  -9.459   2.996   3.607
  153   3HG2  ILE  15          HG23      ILE  15  -8.360   3.011   4.986
  154   1HD1  ILE  15          HD11      ILE  15  -6.541   0.507   4.061
  155   2HD1  ILE  15          HD12      ILE  15  -6.088  -0.353   2.590
  156   3HD1  ILE  15          HD13      ILE  15  -7.750  -0.422   3.176
  157    H    GLN  16           HN       GLN  16  -5.673   5.431   2.808
  158    HA   GLN  16           HA       GLN  16  -6.887   6.857   4.944
  159   1HB   GLN  16          HB2       GLN  16  -4.421   7.499   3.313
  160   2HB   GLN  16          HB1       GLN  16  -4.884   8.315   4.800
  161   1HG   GLN  16          HG2       GLN  16  -4.866   5.536   5.325
  162   2HG   GLN  16          HG1       GLN  16  -3.380   5.929   4.462
  163   1HE2  GLN  16          HE21      GLN  16  -1.839   7.171   5.441
  164   2HE2  GLN  16          HE22      GLN  16  -1.905   7.633   7.105
  165    H    ASN  17           HN       ASN  17  -6.633   7.355   1.498
  166    HA   ASN  17           HA       ASN  17  -7.386  10.102   1.499
  167   1HB   ASN  17          HB2       ASN  17  -7.086   7.960  -0.548
  168   2HB   ASN  17          HB1       ASN  17  -8.078   9.352  -0.971
  169   1HD2  ASN  17          HD21      ASN  17  -5.799   8.804  -2.357
  170   2HD2  ASN  17          HD22      ASN  17  -4.602  10.004  -2.019
  171    H    TRP  18           HN       TRP  18  -9.126   7.072   1.502
  172    HA   TRP  18           HA       TRP  18 -11.668   8.322   0.905
  173   1HB   TRP  18          HB2       TRP  18 -11.164   5.504   1.874
  174   2HB   TRP  18          HB1       TRP  18 -12.606   6.112   1.068
  175    HD1  TRP  18           HD1      TRP  18 -10.516   7.721  -1.105
  176    HE1  TRP  18           HE1      TRP  18  -9.676   6.288  -3.071
  177    HE3  TRP  18           HE3      TRP  18 -11.450   3.077   0.817
  178    HZ2  TRP  18           HZ2      TRP  18  -9.440   3.551  -3.721
  179    HZ3  TRP  18           HZ3      TRP  18 -10.889   1.104  -0.541
  180    HH2  TRP  18           HH2      TRP  18  -9.905   1.338  -2.763
  181    H    LYS  19           HN       LYS  19  -9.934   7.101   3.707
  182    HA   LYS  19           HA       LYS  19 -12.167   7.465   5.491
  183   1HB   LYS  19          HB2       LYS  19  -9.803   6.012   5.577
  184   2HB   LYS  19          HB1       LYS  19  -9.551   7.284   6.764
  185   1HG   LYS  19          HG2       LYS  19 -11.938   6.577   7.577
  186   2HG   LYS  19          HG1       LYS  19 -11.539   5.071   6.749
  187   1HD   LYS  19          HD2       LYS  19  -9.338   5.169   8.078
  188   2HD   LYS  19          HD1       LYS  19 -10.166   6.357   9.086
  189   1HE   LYS  19          HE2       LYS  19 -11.590   4.817   9.971
  190   2HE   LYS  19          HE1       LYS  19 -11.597   3.826   8.513
  191   1HZ   LYS  19          HZ1       LYS  19  -9.126   3.992  10.082
  192   2HZ   LYS  19          HZ2       LYS  19  -9.724   2.715   9.148
  193   3HZ   LYS  19          HZ3       LYS  19 -10.388   3.031  10.671
  194   1HN   NH2  20          NH1       NH2  20 -12.743   9.609   5.377
  195   2HN   NH2  20          NH2       NH2  20 -11.755  10.891   5.981
  Start of MODEL   16
    1   1H    ALA   1          HT1       ALA   1   8.358 -10.822  -6.570
    2   2H    ALA   1          HT2       ALA   1   9.068  -9.561  -7.492
    3   3H    ALA   1          HT3       ALA   1   7.777  -9.217  -6.415
    4    HA   ALA   1           HA       ALA   1  10.410 -10.256  -5.619
    5   1HB   ALA   1          HB1       ALA   1  10.688  -8.044  -6.526
    6   2HB   ALA   1          HB2       ALA   1  10.801  -7.964  -4.768
    7   3HB   ALA   1          HB3       ALA   1   9.325  -7.444  -5.582
    8    H    LYS   2           HN       LYS   2  10.698 -10.400  -3.384
    9    HA   LYS   2           HA       LYS   2   8.292 -10.941  -1.908
   10   1HB   LYS   2          HB2       LYS   2   9.787 -11.675  -0.126
   11   2HB   LYS   2          HB1       LYS   2  10.268 -12.371  -1.667
   12   1HG   LYS   2          HG2       LYS   2  11.801 -10.161  -1.656
   13   2HG   LYS   2          HG1       LYS   2  11.680 -10.467   0.078
   14   1HD   LYS   2          HD2       LYS   2  12.166 -12.969  -0.936
   15   2HD   LYS   2          HD1       LYS   2  13.126 -11.936  -1.996
   16   1HE   LYS   2          HE2       LYS   2  14.687 -12.041  -0.398
   17   2HE   LYS   2          HE1       LYS   2  13.668 -10.905   0.484
   18   1HZ   LYS   2          HZ1       LYS   2  12.535 -13.217   1.156
   19   2HZ   LYS   2          HZ2       LYS   2  13.771 -12.491   2.054
   20   3HZ   LYS   2          HZ3       LYS   2  14.136 -13.729   0.960
   21    H    LYS   3           HN       LYS   3   9.924  -8.130  -2.534
   22    HA   LYS   3           HA       LYS   3   9.119  -6.942   0.046
   23   1HB   LYS   3          HB2       LYS   3  11.618  -6.893  -0.953
   24   2HB   LYS   3          HB1       LYS   3  10.973  -5.468  -1.753
   25   1HG   LYS   3          HG2       LYS   3  11.550  -4.369   0.092
   26   2HG   LYS   3          HG1       LYS   3  10.138  -5.124   0.834
   27   1HD   LYS   3          HD2       LYS   3  12.245  -7.008   0.938
   28   2HD   LYS   3          HD1       LYS   3  12.904  -5.461   1.474
   29   1HE   LYS   3          HE2       LYS   3  12.074  -6.527   3.412
   30   2HE   LYS   3          HE1       LYS   3  10.899  -5.279   2.999
   31   1HZ   LYS   3          HZ1       LYS   3  10.166  -7.719   3.570
   32   2HZ   LYS   3          HZ2       LYS   3  10.478  -7.968   1.926
   33   3HZ   LYS   3          HZ3       LYS   3   9.344  -6.807   2.404
   34    H    VAL   4           HN       VAL   4   7.305  -7.429  -2.021
   35    HA   VAL   4           HA       VAL   4   6.790  -5.063  -3.530
   36    HB   VAL   4           HB       VAL   4   5.757  -7.196  -4.172
   37   1HG1  VAL   4          HG11      VAL   4   5.170  -8.496  -2.433
   38   2HG1  VAL   4          HG12      VAL   4   3.625  -7.657  -2.568
   39   3HG1  VAL   4          HG13      VAL   4   4.819  -7.120  -1.387
   40   1HG2  VAL   4          HG21      VAL   4   3.529  -6.402  -4.622
   41   2HG2  VAL   4          HG22      VAL   4   4.655  -5.051  -4.752
   42   3HG2  VAL   4          HG23      VAL   4   3.644  -5.221  -3.317
   43    H    PHE   5           HN       PHE   5   6.652  -5.907  -0.319
   44    HA   PHE   5           HA       PHE   5   4.588  -4.775   0.932
   45   1HB   PHE   5          HB2       PHE   5   6.522  -5.913   1.985
   46   2HB   PHE   5          HB1       PHE   5   7.488  -4.473   1.706
   47    HD1  PHE   5           HD1      PHE   5   4.012  -4.894   2.991
   48    HD2  PHE   5           HD2      PHE   5   7.975  -3.544   3.757
   49    HE1  PHE   5           HE1      PHE   5   3.280  -3.985   5.158
   50    HE2  PHE   5           HE2      PHE   5   7.251  -2.634   5.925
   51    HZ   PHE   5           HZ       PHE   5   4.901  -2.855   6.628
   52    H    LYS   6           HN       LYS   6   7.096  -3.108  -0.703
   53    HA   LYS   6           HA       LYS   6   6.617  -0.523   0.356
   54   1HB   LYS   6          HB2       LYS   6   8.558  -1.582  -1.230
   55   2HB   LYS   6          HB1       LYS   6   7.619  -0.692  -2.420
   56   1HG   LYS   6          HG2       LYS   6   8.171   1.337  -1.549
   57   2HG   LYS   6          HG1       LYS   6   8.353   0.708   0.090
   58   1HD   LYS   6          HD2       LYS   6  10.276  -0.342  -1.872
   59   2HD   LYS   6          HD1       LYS   6  10.420   1.384  -1.533
   60   1HE   LYS   6          HE2       LYS   6  11.825   0.370   0.036
   61   2HE   LYS   6          HE1       LYS   6  10.349   0.717   0.936
   62   1HZ   LYS   6          HZ1       LYS   6  10.476  -1.888  -0.343
   63   2HZ   LYS   6          HZ2       LYS   6   9.883  -1.457   1.181
   64   3HZ   LYS   6          HZ3       LYS   6  11.547  -1.651   0.946
   65    H    ARG   7           HN       ARG   7   5.595  -2.107  -2.659
   66    HA   ARG   7           HA       ARG   7   3.996   0.017  -3.584
   67   1HB   ARG   7          HB2       ARG   7   4.288  -2.865  -4.207
   68   2HB   ARG   7          HB1       ARG   7   2.754  -2.131  -4.653
   69   1HG   ARG   7          HG2       ARG   7   3.667  -1.238  -6.457
   70   2HG   ARG   7          HG1       ARG   7   4.871  -0.406  -5.472
   71   1HD   ARG   7          HD2       ARG   7   5.369  -3.272  -5.843
   72   2HD   ARG   7          HD1       ARG   7   5.418  -2.326  -7.330
   73    HE   ARG   7           HE       ARG   7   6.936  -1.182  -5.171
   74   1HH1  ARG   7          HH11      ARG   7   6.998  -3.425  -7.845
   75   2HH1  ARG   7          HH12      ARG   7   8.718  -3.350  -8.030
   76   1HH2  ARG   7          HH21      ARG   7   9.198  -1.081  -5.415
   77   2HH2  ARG   7          HH22      ARG   7   9.967  -2.020  -6.650
   78    H    LEU   8           HN       LEU   8   3.474  -2.507  -1.245
   79    HA   LEU   8           HA       LEU   8   0.651  -2.351  -1.120
   80   1HB   LEU   8          HB2       LEU   8   2.783  -3.348   0.739
   81   2HB   LEU   8          HB1       LEU   8   1.117  -3.254   1.278
   82    HG   LEU   8           HG       LEU   8   1.978  -4.793  -1.167
   83   1HD1  LEU   8          HD11      LEU   8   1.182  -6.263   1.247
   84   2HD1  LEU   8          HD12      LEU   8   2.744  -5.451   1.343
   85   3HD1  LEU   8          HD13      LEU   8   2.435  -6.619   0.058
   86   1HD2  LEU   8          HD21      LEU   8  -0.172  -5.538  -1.324
   87   2HD2  LEU   8          HD22      LEU   8  -0.469  -3.936  -0.650
   88   3HD2  LEU   8          HD23      LEU   8  -0.482  -5.351   0.402
   89    H    GLU   9           HN       GLU   9   3.261  -0.539   0.384
   90    HA   GLU   9           HA       GLU   9   1.676   0.781   2.320
   91   1HB   GLU   9          HB2       GLU   9   3.578   1.903   2.882
   92   2HB   GLU   9          HB1       GLU   9   4.320   0.626   1.932
   93   1HG   GLU   9          HG2       GLU   9   4.089   2.261  -0.044
   94   2HG   GLU   9          HG1       GLU   9   3.845   3.487   1.198
   95    H    LYS  10           HN       LYS  10   2.291   1.348  -1.071
   96    HA   LYS  10           HA       LYS  10   1.259   4.003  -1.141
   97   1HB   LYS  10          HB2       LYS  10   1.999   1.936  -3.150
   98   2HB   LYS  10          HB1       LYS  10   0.898   3.203  -3.673
   99   1HG   LYS  10          HG2       LYS  10   2.474   4.867  -3.417
  100   2HG   LYS  10          HG1       LYS  10   3.432   3.926  -2.272
  101   1HD   LYS  10          HD2       LYS  10   4.618   2.940  -3.901
  102   2HD   LYS  10          HD1       LYS  10   3.192   2.682  -4.908
  103   1HE   LYS  10          HE2       LYS  10   3.340   5.250  -5.302
  104   2HE   LYS  10          HE1       LYS  10   5.007   5.054  -4.760
  105   1HZ   LYS  10          HZ1       LYS  10   4.264   4.788  -7.287
  106   2HZ   LYS  10          HZ2       LYS  10   4.081   3.183  -6.787
  107   3HZ   LYS  10          HZ3       LYS  10   5.579   3.952  -6.626
  108    H    LEU  11           HN       LEU  11  -0.110   0.801  -1.780
  109    HA   LEU  11           HA       LEU  11  -2.682   1.719  -2.517
  110   1HB   LEU  11          HB2       LEU  11  -1.386  -0.825  -1.986
  111   2HB   LEU  11          HB1       LEU  11  -3.019  -0.798  -1.349
  112    HG   LEU  11           HG       LEU  11  -2.434  -0.001  -4.187
  113   1HD1  LEU  11          HD11      LEU  11  -2.481  -2.696  -2.983
  114   2HD1  LEU  11          HD12      LEU  11  -1.671  -2.113  -4.437
  115   3HD1  LEU  11          HD13      LEU  11  -3.395  -2.482  -4.475
  116   1HD2  LEU  11          HD21      LEU  11  -4.592   0.599  -3.857
  117   2HD2  LEU  11          HD22      LEU  11  -4.822  -0.537  -2.528
  118   3HD2  LEU  11          HD23      LEU  11  -4.867  -1.109  -4.195
  119    H    PHE  12           HN       PHE  12  -1.118   1.097   0.541
  120    HA   PHE  12           HA       PHE  12  -3.453   1.086   2.150
  121   1HB   PHE  12          HB2       PHE  12  -1.192   0.243   2.858
  122   2HB   PHE  12          HB1       PHE  12  -0.663   1.918   2.973
  123    HD1  PHE  12           HD1      PHE  12  -1.925   3.450   4.571
  124    HD2  PHE  12           HD2      PHE  12  -2.255  -0.792   4.648
  125    HE1  PHE  12           HE1      PHE  12  -2.771   3.562   6.879
  126    HE2  PHE  12           HE2      PHE  12  -3.102  -0.688   6.956
  127    HZ   PHE  12           HZ       PHE  12  -3.362   1.491   8.074
  128    H    SER  13           HN       SER  13  -1.420   3.593   0.808
  129    HA   SER  13           HA       SER  13  -2.326   5.729   2.425
  130   1HB   SER  13          HB2       SER  13  -0.305   5.617   0.779
  131   2HB   SER  13          HB1       SER  13  -1.486   6.107  -0.437
  132    HG   SER  13           HG       SER  13  -1.237   8.052   0.283
  133    H    LYS  14           HN       LYS  14  -3.508   4.290  -0.567
  134    HA   LYS  14           HA       LYS  14  -5.455   6.265  -1.134
  135   1HB   LYS  14          HB2       LYS  14  -5.550   3.335  -1.876
  136   2HB   LYS  14          HB1       LYS  14  -6.402   4.651  -2.671
  137   1HG   LYS  14          HG2       LYS  14  -3.625   5.259  -2.666
  138   2HG   LYS  14          HG1       LYS  14  -3.838   3.606  -3.245
  139   1HD   LYS  14          HD2       LYS  14  -5.806   4.817  -4.612
  140   2HD   LYS  14          HD1       LYS  14  -4.685   6.170  -4.451
  141   1HE   LYS  14          HE2       LYS  14  -4.021   3.452  -5.579
  142   2HE   LYS  14          HE1       LYS  14  -4.303   4.916  -6.521
  143   1HZ   LYS  14          HZ1       LYS  14  -1.973   4.122  -4.980
  144   2HZ   LYS  14          HZ2       LYS  14  -2.400   5.755  -4.868
  145   3HZ   LYS  14          HZ3       LYS  14  -2.077   5.068  -6.379
  146    H    ILE  15           HN       ILE  15  -5.487   3.308   0.780
  147    HA   ILE  15           HA       ILE  15  -8.270   3.293   1.311
  148    HB   ILE  15           HB       ILE  15  -6.071   2.157   3.045
  149   1HG1  ILE  15          HG12      ILE  15  -7.624   0.792   0.837
  150   2HG1  ILE  15          HG11      ILE  15  -5.975   1.384   0.669
  151   1HG2  ILE  15          HG21      ILE  15  -9.034   1.881   2.984
  152   2HG2  ILE  15          HG22      ILE  15  -7.937   1.992   4.361
  153   3HG2  ILE  15          HG23      ILE  15  -8.061   0.486   3.452
  154   1HD1  ILE  15          HD11      ILE  15  -6.053  -1.019   1.077
  155   2HD1  ILE  15          HD12      ILE  15  -6.881  -0.731   2.608
  156   3HD1  ILE  15          HD13      ILE  15  -5.227  -0.163   2.379
  157    H    GLN  16           HN       GLN  16  -5.537   4.940   2.722
  158    HA   GLN  16           HA       GLN  16  -6.813   5.748   5.128
  159   1HB   GLN  16          HB2       GLN  16  -4.274   5.752   4.415
  160   2HB   GLN  16          HB1       GLN  16  -4.648   7.380   3.866
  161   1HG   GLN  16          HG2       GLN  16  -5.243   8.074   6.053
  162   2HG   GLN  16          HG1       GLN  16  -5.210   6.417   6.655
  163   1HE2  GLN  16          HE21      GLN  16  -2.947   5.365   5.952
  164   2HE2  GLN  16          HE22      GLN  16  -1.584   6.279   6.492
  165    H    ASN  17           HN       ASN  17  -6.681   7.018   1.871
  166    HA   ASN  17           HA       ASN  17  -7.741   9.592   2.503
  167   1HB   ASN  17          HB2       ASN  17  -7.196   8.049   0.014
  168   2HB   ASN  17          HB1       ASN  17  -8.341   9.383  -0.090
  169   1HD2  ASN  17          HD21      ASN  17  -5.077   8.545   0.944
  170   2HD2  ASN  17          HD22      ASN  17  -4.389  10.101   0.643
  171    H    TRP  18           HN       TRP  18  -9.105   6.469   1.734
  172    HA   TRP  18           HA       TRP  18 -11.782   7.524   1.399
  173   1HB   TRP  18          HB2       TRP  18 -10.516   5.266   0.476
  174   2HB   TRP  18          HB1       TRP  18 -11.509   4.625   1.781
  175    HD1  TRP  18           HD1      TRP  18 -13.863   3.949   1.060
  176    HE1  TRP  18           HE1      TRP  18 -15.459   4.570  -0.862
  177    HE3  TRP  18           HE3      TRP  18 -11.041   7.560  -1.208
  178    HZ2  TRP  18           HZ2      TRP  18 -15.515   6.353  -3.049
  179    HZ3  TRP  18           HZ3      TRP  18 -11.938   8.674  -3.209
  180    HH2  TRP  18           HH2      TRP  18 -14.129   8.082  -4.110
  181    H    LYS  19           HN       LYS  19  -9.861   5.971   3.876
  182    HA   LYS  19           HA       LYS  19 -12.021   5.353   5.625
  183   1HB   LYS  19          HB2       LYS  19  -9.439   4.600   5.547
  184   2HB   LYS  19          HB1       LYS  19  -9.331   5.859   6.769
  185   1HG   LYS  19          HG2       LYS  19 -10.679   4.718   8.257
  186   2HG   LYS  19          HG1       LYS  19 -11.424   3.742   6.989
  187   1HD   LYS  19          HD2       LYS  19 -10.008   2.122   7.588
  188   2HD   LYS  19          HD1       LYS  19  -8.743   3.086   6.824
  189   1HE   LYS  19          HE2       LYS  19  -7.758   3.039   8.834
  190   2HE   LYS  19          HE1       LYS  19  -8.948   4.262   9.280
  191   1HZ   LYS  19          HZ1       LYS  19  -9.799   1.491   9.517
  192   2HZ   LYS  19          HZ2       LYS  19 -10.103   2.808  10.534
  193   3HZ   LYS  19          HZ3       LYS  19  -8.620   2.000  10.618
  194   1HN   NH2  20          NH1       NH2  20 -13.068   7.497   5.324
  195   2HN   NH2  20          NH2       NH2  20 -12.644   8.767   6.415
  Start of MODEL   17
    1   1H    ALA   1          HT1       ALA   1   9.682  -8.944  -8.389
    2   2H    ALA   1          HT2       ALA   1   8.796  -9.576  -7.062
    3   3H    ALA   1          HT3       ALA   1  10.219 -10.368  -7.601
    4    HA   ALA   1           HA       ALA   1  11.588  -8.718  -6.834
    5   1HB   ALA   1          HB1       ALA   1  10.746  -6.581  -5.971
    6   2HB   ALA   1          HB2       ALA   1   9.106  -7.058  -6.410
    7   3HB   ALA   1          HB3       ALA   1  10.321  -6.820  -7.665
    8    H    LYS   2           HN       LYS   2  12.230  -8.480  -4.659
    9    HA   LYS   2           HA       LYS   2  10.619 -10.077  -2.803
   10   1HB   LYS   2          HB2       LYS   2  13.104 -10.556  -3.350
   11   2HB   LYS   2          HB1       LYS   2  13.445  -9.183  -2.305
   12   1HG   LYS   2          HG2       LYS   2  11.659 -10.796  -0.877
   13   2HG   LYS   2          HG1       LYS   2  12.825 -11.897  -1.610
   14   1HD   LYS   2          HD2       LYS   2  13.849  -9.433  -0.294
   15   2HD   LYS   2          HD1       LYS   2  13.276 -10.750   0.732
   16   1HE   LYS   2          HE2       LYS   2  14.821 -12.287  -0.309
   17   2HE   LYS   2          HE1       LYS   2  15.331 -11.047  -1.455
   18   1HZ   LYS   2          HZ1       LYS   2  16.962 -10.766   0.048
   19   2HZ   LYS   2          HZ2       LYS   2  16.068 -11.412   1.331
   20   3HZ   LYS   2          HZ3       LYS   2  15.814  -9.811   0.845
   21    H    LYS   3           HN       LYS   3   9.974  -7.307  -3.413
   22    HA   LYS   3           HA       LYS   3   9.769  -6.342  -0.696
   23   1HB   LYS   3          HB2       LYS   3  11.979  -5.459  -1.430
   24   2HB   LYS   3          HB1       LYS   3  11.184  -4.643  -2.769
   25   1HG   LYS   3          HG2       LYS   3   9.851  -3.918  -0.366
   26   2HG   LYS   3          HG1       LYS   3  11.588  -3.718  -0.128
   27   1HD   LYS   3          HD2       LYS   3   9.986  -2.572  -2.416
   28   2HD   LYS   3          HD1       LYS   3  10.533  -1.675  -0.998
   29   1HE   LYS   3          HE2       LYS   3  12.341  -1.180  -2.216
   30   2HE   LYS   3          HE1       LYS   3  12.848  -2.839  -1.900
   31   1HZ   LYS   3          HZ1       LYS   3  12.884  -3.030  -4.107
   32   2HZ   LYS   3          HZ2       LYS   3  11.969  -1.629  -4.354
   33   3HZ   LYS   3          HZ3       LYS   3  11.195  -3.097  -4.029
   34    H    VAL   4           HN       VAL   4   7.925  -7.256  -2.579
   35    HA   VAL   4           HA       VAL   4   6.553  -5.094  -3.833
   36    HB   VAL   4           HB       VAL   4   5.396  -7.720  -2.860
   37   1HG1  VAL   4          HG11      VAL   4   4.281  -5.425  -4.283
   38   2HG1  VAL   4          HG12      VAL   4   3.468  -6.730  -3.420
   39   3HG1  VAL   4          HG13      VAL   4   3.991  -6.967  -5.087
   40   1HG2  VAL   4          HG21      VAL   4   5.987  -7.347  -5.722
   41   2HG2  VAL   4          HG22      VAL   4   6.158  -8.776  -4.702
   42   3HG2  VAL   4          HG23      VAL   4   7.390  -7.514  -4.667
   43    H    PHE   5           HN       PHE   5   7.089  -6.073  -0.701
   44    HA   PHE   5           HA       PHE   5   4.912  -5.572   0.815
   45   1HB   PHE   5          HB2       PHE   5   7.196  -6.344   1.536
   46   2HB   PHE   5          HB1       PHE   5   7.720  -4.670   1.449
   47    HD1  PHE   5           HD1      PHE   5   6.401  -2.970   2.889
   48    HD2  PHE   5           HD2      PHE   5   6.311  -7.179   3.509
   49    HE1  PHE   5           HE1      PHE   5   5.642  -2.609   5.201
   50    HE2  PHE   5           HE2      PHE   5   5.551  -6.826   5.822
   51    HZ   PHE   5           HZ       PHE   5   5.216  -4.538   6.671
   52    H    LYS   6           HN       LYS   6   6.810  -3.316  -0.904
   53    HA   LYS   6           HA       LYS   6   5.979  -0.967   0.462
   54   1HB   LYS   6          HB2       LYS   6   7.810  -1.573  -1.563
   55   2HB   LYS   6          HB1       LYS   6   6.634  -0.517  -2.332
   56   1HG   LYS   6          HG2       LYS   6   8.228   0.081   0.151
   57   2HG   LYS   6          HG1       LYS   6   8.461   0.782  -1.451
   58   1HD   LYS   6          HD2       LYS   6   6.525   2.053  -1.317
   59   2HD   LYS   6          HD1       LYS   6   5.814   1.019  -0.077
   60   1HE   LYS   6          HE2       LYS   6   7.882   1.848   1.324
   61   2HE   LYS   6          HE1       LYS   6   7.837   3.191   0.183
   62   1HZ   LYS   6          HZ1       LYS   6   6.467   3.239   2.403
   63   2HZ   LYS   6          HZ2       LYS   6   5.332   2.397   1.474
   64   3HZ   LYS   6          HZ3       LYS   6   5.856   3.929   0.984
   65    H    ARG   7           HN       ARG   7   4.774  -2.774  -2.301
   66    HA   ARG   7           HA       ARG   7   2.839  -0.897  -3.140
   67   1HB   ARG   7          HB2       ARG   7   3.254  -3.831  -3.546
   68   2HB   ARG   7          HB1       ARG   7   1.710  -3.121  -3.998
   69   1HG   ARG   7          HG2       ARG   7   2.710  -2.781  -5.970
   70   2HG   ARG   7          HG1       ARG   7   3.428  -1.384  -5.164
   71   1HD   ARG   7          HD2       ARG   7   5.282  -3.023  -4.451
   72   2HD   ARG   7          HD1       ARG   7   4.636  -4.074  -5.711
   73    HE   ARG   7           HE       ARG   7   5.545  -2.688  -7.293
   74   1HH1  ARG   7          HH11      ARG   7   5.576  -1.063  -4.205
   75   2HH1  ARG   7          HH12      ARG   7   6.543   0.258  -4.769
   76   1HH2  ARG   7          HH21      ARG   7   6.816  -0.949  -8.037
   77   2HH2  ARG   7          HH22      ARG   7   7.246   0.324  -6.944
   78    H    LEU   8           HN       LEU   8   2.869  -3.417  -0.699
   79    HA   LEU   8           HA       LEU   8   0.094  -3.459  -0.173
   80   1HB   LEU   8          HB2       LEU   8   1.949  -5.093   0.594
   81   2HB   LEU   8          HB1       LEU   8   2.196  -3.965   1.913
   82    HG   LEU   8           HG       LEU   8  -0.488  -4.343   2.080
   83   1HD1  LEU   8          HD11      LEU   8  -0.501  -6.009   0.305
   84   2HD1  LEU   8          HD12      LEU   8  -0.923  -6.736   1.855
   85   3HD1  LEU   8          HD13      LEU   8   0.691  -6.968   1.182
   86   1HD2  LEU   8          HD21      LEU   8   0.548  -4.556   4.080
   87   2HD2  LEU   8          HD22      LEU   8   1.888  -5.489   3.413
   88   3HD2  LEU   8          HD23      LEU   8   0.343  -6.274   3.738
   89    H    GLU   9           HN       GLU   9   2.767  -1.552   1.146
   90    HA   GLU   9           HA       GLU   9   1.192  -0.209   3.097
   91   1HB   GLU   9          HB2       GLU   9   3.895   0.215   1.887
   92   2HB   GLU   9          HB1       GLU   9   3.165   1.525   2.804
   93   1HG   GLU   9          HG2       GLU   9   3.058  -1.063   4.151
   94   2HG   GLU   9          HG1       GLU   9   4.692  -0.478   3.843
   95    H    LYS  10           HN       LYS  10   1.815   0.255  -0.292
   96    HA   LYS  10           HA       LYS  10   0.883   2.939  -0.455
   97   1HB   LYS  10          HB2       LYS  10   1.198   0.763  -2.526
   98   2HB   LYS  10          HB1       LYS  10   0.652   2.387  -2.919
   99   1HG   LYS  10          HG2       LYS  10   3.194   2.075  -1.410
  100   2HG   LYS  10          HG1       LYS  10   3.177   1.698  -3.134
  101   1HD   LYS  10          HD2       LYS  10   1.938   4.249  -2.230
  102   2HD   LYS  10          HD1       LYS  10   3.699   4.136  -2.256
  103   1HE   LYS  10          HE2       LYS  10   2.340   3.128  -4.661
  104   2HE   LYS  10          HE1       LYS  10   2.175   4.860  -4.378
  105   1HZ   LYS  10          HZ1       LYS  10   4.804   3.506  -4.302
  106   2HZ   LYS  10          HZ2       LYS  10   4.480   5.158  -4.465
  107   3HZ   LYS  10          HZ3       LYS  10   4.147   4.102  -5.743
  108    H    LEU  11           HN       LEU  11  -0.608  -0.231  -0.629
  109    HA   LEU  11           HA       LEU  11  -3.127   0.625  -1.605
  110   1HB   LEU  11          HB2       LEU  11  -2.062  -1.820  -0.286
  111   2HB   LEU  11          HB1       LEU  11  -3.799  -1.586  -0.265
  112    HG   LEU  11           HG       LEU  11  -2.460  -1.283  -2.892
  113   1HD1  LEU  11          HD11      LEU  11  -1.311  -3.204  -2.578
  114   2HD1  LEU  11          HD12      LEU  11  -2.873  -3.925  -2.965
  115   3HD1  LEU  11          HD13      LEU  11  -2.372  -3.758  -1.282
  116   1HD2  LEU  11          HD21      LEU  11  -4.508  -1.776  -3.702
  117   2HD2  LEU  11          HD22      LEU  11  -5.027  -1.291  -2.088
  118   3HD2  LEU  11          HD23      LEU  11  -4.820  -3.000  -2.472
  119    H    PHE  12           HN       PHE  12  -1.759   0.279   1.629
  120    HA   PHE  12           HA       PHE  12  -4.168   0.786   3.036
  121   1HB   PHE  12          HB2       PHE  12  -1.684  -0.023   3.781
  122   2HB   PHE  12          HB1       PHE  12  -1.634   1.662   4.289
  123    HD1  PHE  12           HD1      PHE  12  -2.970  -1.628   4.951
  124    HD2  PHE  12           HD2      PHE  12  -3.280   2.500   5.937
  125    HE1  PHE  12           HE1      PHE  12  -4.215  -2.213   6.991
  126    HE2  PHE  12           HE2      PHE  12  -4.525   1.923   7.980
  127    HZ   PHE  12           HZ       PHE  12  -4.993  -0.437   8.509
  128    H    SER  13           HN       SER  13  -1.733   2.810   1.570
  129    HA   SER  13           HA       SER  13  -2.458   5.248   2.811
  130   1HB   SER  13          HB2       SER  13  -0.842   4.435   0.455
  131   2HB   SER  13          HB1       SER  13  -1.461   6.087   0.447
  132    HG   SER  13           HG       SER  13   0.678   5.536   1.531
  133    H    LYS  14           HN       LYS  14  -3.689   3.454   0.073
  134    HA   LYS  14           HA       LYS  14  -5.236   5.509  -1.091
  135   1HB   LYS  14          HB2       LYS  14  -4.632   3.242  -2.095
  136   2HB   LYS  14          HB1       LYS  14  -5.936   2.575  -1.122
  137   1HG   LYS  14          HG2       LYS  14  -6.888   2.932  -3.219
  138   2HG   LYS  14          HG1       LYS  14  -7.434   4.302  -2.250
  139   1HD   LYS  14          HD2       LYS  14  -5.490   5.598  -3.196
  140   2HD   LYS  14          HD1       LYS  14  -5.237   4.254  -4.311
  141   1HE   LYS  14          HE2       LYS  14  -6.536   5.844  -5.481
  142   2HE   LYS  14          HE1       LYS  14  -7.642   4.551  -5.019
  143   1HZ   LYS  14          HZ1       LYS  14  -7.406   7.266  -3.885
  144   2HZ   LYS  14          HZ2       LYS  14  -8.127   6.018  -3.001
  145   3HZ   LYS  14          HZ3       LYS  14  -8.780   6.485  -4.489
  146    H    ILE  15           HN       ILE  15  -5.885   3.182   1.482
  147    HA   ILE  15           HA       ILE  15  -8.648   3.735   1.739
  148    HB   ILE  15           HB       ILE  15  -6.782   2.812   3.929
  149   1HG1  ILE  15          HG12      ILE  15  -8.311   1.181   1.887
  150   2HG1  ILE  15          HG11      ILE  15  -6.562   1.376   1.951
  151   1HG2  ILE  15          HG21      ILE  15  -9.355   3.575   4.180
  152   2HG2  ILE  15          HG22      ILE  15  -8.595   2.338   5.181
  153   3HG2  ILE  15          HG23      ILE  15  -9.569   1.869   3.788
  154   1HD1  ILE  15          HD11      ILE  15  -6.852  -0.672   2.940
  155   2HD1  ILE  15          HD12      ILE  15  -8.358  -0.199   3.728
  156   3HD1  ILE  15          HD13      ILE  15  -6.815   0.395   4.344
  157    H    GLN  16           HN       GLN  16  -5.759   5.247   3.005
  158    HA   GLN  16           HA       GLN  16  -7.042   6.873   4.946
  159   1HB   GLN  16          HB2       GLN  16  -4.438   6.309   4.316
  160   2HB   GLN  16          HB1       GLN  16  -4.596   7.955   3.716
  161   1HG   GLN  16          HG2       GLN  16  -5.632   8.430   6.045
  162   2HG   GLN  16          HG1       GLN  16  -4.836   6.927   6.507
  163   1HE2  GLN  16          HE21      GLN  16  -4.443  10.244   5.740
  164   2HE2  GLN  16          HE22      GLN  16  -2.741  10.340   6.020
  165    H    ASN  17           HN       ASN  17  -6.493   7.140   1.513
  166    HA   ASN  17           HA       ASN  17  -7.044   9.926   1.297
  167   1HB   ASN  17          HB2       ASN  17  -5.806   8.607  -0.421
  168   2HB   ASN  17          HB1       ASN  17  -7.312   7.790  -0.830
  169   1HD2  ASN  17          HD21      ASN  17  -8.870   8.864  -1.987
  170   2HD2  ASN  17          HD22      ASN  17  -8.590  10.388  -2.751
  171    H    TRP  18           HN       TRP  18  -8.996   7.023   1.331
  172    HA   TRP  18           HA       TRP  18 -11.382   8.325   0.394
  173   1HB   TRP  18          HB2       TRP  18 -10.761   5.806   0.263
  174   2HB   TRP  18          HB1       TRP  18 -11.356   5.735   1.919
  175    HD1  TRP  18           HD1      TRP  18 -12.532   5.954  -1.669
  176    HE1  TRP  18           HE1      TRP  18 -15.099   5.784  -1.734
  177    HE3  TRP  18           HE3      TRP  18 -13.501   6.354   3.336
  178    HZ2  TRP  18           HZ2      TRP  18 -17.250   5.816   0.093
  179    HZ3  TRP  18           HZ3      TRP  18 -15.840   6.276   4.094
  180    HH2  TRP  18           HH2      TRP  18 -17.675   6.013   2.505
  181    H    LYS  19           HN       LYS  19  -9.889   7.685   3.480
  182    HA   LYS  19           HA       LYS  19 -12.220   8.264   5.044
  183   1HB   LYS  19          HB2       LYS  19 -10.394   6.821   5.874
  184   2HB   LYS  19          HB1       LYS  19  -9.310   8.205   5.864
  185   1HG   LYS  19          HG2       LYS  19 -10.795   9.319   7.506
  186   2HG   LYS  19          HG1       LYS  19 -11.758   7.841   7.577
  187   1HD   LYS  19          HD2       LYS  19  -9.752   6.604   8.306
  188   2HD   LYS  19          HD1       LYS  19  -8.839   8.114   8.295
  189   1HE   LYS  19          HE2       LYS  19  -9.994   8.973  10.117
  190   2HE   LYS  19          HE1       LYS  19 -11.363   7.885   9.886
  191   1HZ   LYS  19          HZ1       LYS  19  -8.757   7.348  11.137
  192   2HZ   LYS  19          HZ2       LYS  19  -9.609   6.073  10.422
  193   3HZ   LYS  19          HZ3       LYS  19 -10.311   6.956  11.683
  194   1HN   NH2  20          NH1       NH2  20  -9.254  10.024   4.248
  195   2HN   NH2  20          NH2       NH2  20  -9.854  11.591   4.660
  Start of MODEL   18
    1   1H    ALA   1          HT1       ALA   1  13.267  -7.287  -4.077
    2   2H    ALA   1          HT2       ALA   1  14.717  -7.773  -4.856
    3   3H    ALA   1          HT3       ALA   1  14.017  -8.766  -3.643
    4    HA   ALA   1           HA       ALA   1  12.983  -8.168  -6.326
    5   1HB   ALA   1          HB1       ALA   1  12.984 -10.821  -6.150
    6   2HB   ALA   1          HB2       ALA   1  14.284 -10.481  -5.007
    7   3HB   ALA   1          HB3       ALA   1  14.400  -9.909  -6.672
    8    H    LYS   2           HN       LYS   2  12.327  -9.750  -3.214
    9    HA   LYS   2           HA       LYS   2   9.505 -10.002  -3.956
   10   1HB   LYS   2          HB2       LYS   2  11.196 -11.738  -2.661
   11   2HB   LYS   2          HB1       LYS   2  10.317 -11.011  -1.323
   12   1HG   LYS   2          HG2       LYS   2   9.104 -12.929  -1.906
   13   2HG   LYS   2          HG1       LYS   2   8.198 -11.578  -2.590
   14   1HD   LYS   2          HD2       LYS   2   8.322 -12.529  -4.595
   15   2HD   LYS   2          HD1       LYS   2  10.080 -12.399  -4.537
   16   1HE   LYS   2          HE2       LYS   2  10.356 -14.577  -4.005
   17   2HE   LYS   2          HE1       LYS   2   8.911 -14.622  -2.996
   18   1HZ   LYS   2          HZ1       LYS   2   9.118 -14.929  -5.926
   19   2HZ   LYS   2          HZ2       LYS   2   7.654 -14.502  -5.195
   20   3HZ   LYS   2          HZ3       LYS   2   8.398 -15.969  -4.801
   21    H    LYS   3           HN       LYS   3  10.558  -7.406  -3.426
   22    HA   LYS   3           HA       LYS   3   9.433  -6.733  -0.792
   23   1HB   LYS   3          HB2       LYS   3  10.483  -4.505  -1.182
   24   2HB   LYS   3          HB1       LYS   3  11.640  -5.829  -1.162
   25   1HG   LYS   3          HG2       LYS   3  12.085  -5.658  -3.408
   26   2HG   LYS   3          HG1       LYS   3  10.525  -4.915  -3.769
   27   1HD   LYS   3          HD2       LYS   3  11.228  -2.819  -3.150
   28   2HD   LYS   3          HD1       LYS   3  12.441  -3.441  -2.029
   29   1HE   LYS   3          HE2       LYS   3  13.870  -2.815  -3.660
   30   2HE   LYS   3          HE1       LYS   3  13.429  -4.378  -4.347
   31   1HZ   LYS   3          HZ1       LYS   3  11.699  -2.146  -5.035
   32   2HZ   LYS   3          HZ2       LYS   3  12.256  -3.421  -5.996
   33   3HZ   LYS   3          HZ3       LYS   3  13.260  -2.096  -5.686
   34    H    VAL   4           HN       VAL   4   7.655  -7.508  -2.783
   35    HA   VAL   4           HA       VAL   4   6.440  -5.270  -4.061
   36    HB   VAL   4           HB       VAL   4   5.917  -7.565  -4.775
   37   1HG1  VAL   4          HG11      VAL   4   4.572  -7.834  -2.089
   38   2HG1  VAL   4          HG12      VAL   4   6.036  -8.668  -2.609
   39   3HG1  VAL   4          HG13      VAL   4   4.497  -9.012  -3.399
   40   1HG2  VAL   4          HG21      VAL   4   4.230  -5.545  -4.806
   41   2HG2  VAL   4          HG22      VAL   4   3.321  -6.577  -3.703
   42   3HG2  VAL   4          HG23      VAL   4   3.729  -7.156  -5.318
   43    H    PHE   5           HN       PHE   5   6.785  -6.294  -0.918
   44    HA   PHE   5           HA       PHE   5   4.574  -5.709   0.508
   45   1HB   PHE   5          HB2       PHE   5   6.781  -6.560   1.339
   46   2HB   PHE   5          HB1       PHE   5   7.394  -4.917   1.236
   47    HD1  PHE   5           HD1      PHE   5   5.099  -7.159   3.022
   48    HD2  PHE   5           HD2      PHE   5   6.808  -3.265   2.872
   49    HE1  PHE   5           HE1      PHE   5   4.281  -6.717   5.299
   50    HE2  PHE   5           HE2      PHE   5   5.994  -2.815   5.150
   51    HZ   PHE   5           HZ       PHE   5   4.729  -4.543   6.367
   52    H    LYS   6           HN       LYS   6   6.613  -3.522  -1.139
   53    HA   LYS   6           HA       LYS   6   5.838  -1.134   0.175
   54   1HB   LYS   6          HB2       LYS   6   7.764  -1.737  -1.636
   55   2HB   LYS   6          HB1       LYS   6   6.585  -0.960  -2.683
   56   1HG   LYS   6          HG2       LYS   6   6.647   1.044  -1.359
   57   2HG   LYS   6          HG1       LYS   6   7.693   0.268  -0.168
   58   1HD   LYS   6          HD2       LYS   6   9.361   1.221  -1.335
   59   2HD   LYS   6          HD1       LYS   6   9.111  -0.118  -2.458
   60   1HE   LYS   6          HE2       LYS   6   7.673   1.239  -3.831
   61   2HE   LYS   6          HE1       LYS   6   7.733   2.556  -2.661
   62   1HZ   LYS   6          HZ1       LYS   6   9.854   1.607  -4.480
   63   2HZ   LYS   6          HZ2       LYS   6  10.242   2.485  -3.087
   64   3HZ   LYS   6          HZ3       LYS   6   9.256   3.176  -4.274
   65    H    ARG   7           HN       ARG   7   4.623  -2.894  -2.627
   66    HA   ARG   7           HA       ARG   7   2.762  -0.971  -3.496
   67   1HB   ARG   7          HB2       ARG   7   3.196  -3.868  -3.923
   68   2HB   ARG   7          HB1       ARG   7   1.559  -3.291  -4.206
   69   1HG   ARG   7          HG2       ARG   7   2.416  -3.008  -6.286
   70   2HG   ARG   7          HG1       ARG   7   2.836  -1.440  -5.595
   71   1HD   ARG   7          HD2       ARG   7   4.883  -1.964  -6.398
   72   2HD   ARG   7          HD1       ARG   7   5.005  -2.839  -4.872
   73    HE   ARG   7           HE       ARG   7   3.906  -4.628  -6.631
   74   1HH1  ARG   7          HH11      ARG   7   6.834  -2.732  -6.520
   75   2HH1  ARG   7          HH12      ARG   7   7.760  -3.881  -7.426
   76   1HH2  ARG   7          HH21      ARG   7   5.123  -6.141  -7.821
   77   2HH2  ARG   7          HH22      ARG   7   6.789  -5.816  -8.165
   78    H    LEU   8           HN       LEU   8   2.642  -3.457  -1.017
   79    HA   LEU   8           HA       LEU   8  -0.132  -3.365  -0.519
   80   1HB   LEU   8          HB2       LEU   8   2.025  -4.799   0.459
   81   2HB   LEU   8          HB1       LEU   8   1.513  -3.853   1.844
   82    HG   LEU   8           HG       LEU   8  -0.600  -5.307   0.346
   83   1HD1  LEU   8          HD11      LEU   8   0.777  -6.893   2.411
   84   2HD1  LEU   8          HD12      LEU   8   1.620  -6.735   0.870
   85   3HD1  LEU   8          HD13      LEU   8  -0.011  -7.405   0.919
   86   1HD2  LEU   8          HD21      LEU   8  -0.029  -4.699   3.240
   87   2HD2  LEU   8          HD22      LEU   8  -1.397  -5.665   2.686
   88   3HD2  LEU   8          HD23      LEU   8  -1.262  -3.971   2.211
   89    H    GLU   9           HN       GLU   9   2.596  -1.541   0.806
   90    HA   GLU   9           HA       GLU   9   1.089  -0.099   2.721
   91   1HB   GLU   9          HB2       GLU   9   3.743  -0.346   2.187
   92   2HB   GLU   9          HB1       GLU   9   3.429   1.253   1.526
   93   1HG   GLU   9          HG2       GLU   9   2.744   2.097   3.606
   94   2HG   GLU   9          HG1       GLU   9   2.588   0.483   4.299
   95    H    LYS  10           HN       LYS  10   1.640   0.273  -0.691
   96    HA   LYS  10           HA       LYS  10   0.784   2.975  -0.905
   97   1HB   LYS  10          HB2       LYS  10   2.128   1.720  -2.627
   98   2HB   LYS  10          HB1       LYS  10   0.664   0.838  -3.039
   99   1HG   LYS  10          HG2       LYS  10  -0.376   3.145  -3.450
  100   2HG   LYS  10          HG1       LYS  10   1.286   3.737  -3.451
  101   1HD   LYS  10          HD2       LYS  10   0.715   1.361  -5.120
  102   2HD   LYS  10          HD1       LYS  10   0.032   2.895  -5.663
  103   1HE   LYS  10          HE2       LYS  10   2.050   3.055  -6.686
  104   2HE   LYS  10          HE1       LYS  10   2.506   3.721  -5.119
  105   1HZ   LYS  10          HZ1       LYS  10   3.819   1.744  -6.289
  106   2HZ   LYS  10          HZ2       LYS  10   2.705   0.832  -5.402
  107   3HZ   LYS  10          HZ3       LYS  10   3.733   1.916  -4.608
  108    H    LEU  11           HN       LEU  11  -0.827  -0.160  -1.106
  109    HA   LEU  11           HA       LEU  11  -3.348   0.827  -1.934
  110   1HB   LEU  11          HB2       LEU  11  -2.332  -1.634  -1.731
  111   2HB   LEU  11          HB1       LEU  11  -3.190  -1.588  -0.202
  112    HG   LEU  11           HG       LEU  11  -4.748  -0.745  -2.568
  113   1HD1  LEU  11          HD11      LEU  11  -5.204  -3.299  -2.902
  114   2HD1  LEU  11          HD12      LEU  11  -3.562  -3.464  -2.280
  115   3HD1  LEU  11          HD13      LEU  11  -3.863  -2.512  -3.734
  116   1HD2  LEU  11          HD21      LEU  11  -5.714  -0.875  -0.325
  117   2HD2  LEU  11          HD22      LEU  11  -5.312  -2.590  -0.250
  118   3HD2  LEU  11          HD23      LEU  11  -6.489  -2.012  -1.429
  119    H    PHE  12           HN       PHE  12  -1.838   0.373   1.212
  120    HA   PHE  12           HA       PHE  12  -4.160   0.880   2.759
  121   1HB   PHE  12          HB2       PHE  12  -1.487   0.199   3.275
  122   2HB   PHE  12          HB1       PHE  12  -1.718   1.759   4.057
  123    HD1  PHE  12           HD1      PHE  12  -2.755  -1.753   3.983
  124    HD2  PHE  12           HD2      PHE  12  -3.194   2.002   5.938
  125    HE1  PHE  12           HE1      PHE  12  -3.865  -2.871   5.872
  126    HE2  PHE  12           HE2      PHE  12  -4.304   0.889   7.832
  127    HZ   PHE  12           HZ       PHE  12  -4.640  -1.550   7.800
  128    H    SER  13           HN       SER  13  -1.827   2.898   1.146
  129    HA   SER  13           HA       SER  13  -2.393   5.324   2.482
  130   1HB   SER  13          HB2       SER  13  -0.386   5.031   1.092
  131   2HB   SER  13          HB1       SER  13  -1.396   4.872  -0.345
  132    HG   SER  13           HG       SER  13  -1.232   6.958  -0.457
  133    H    LYS  14           HN       LYS  14  -3.892   3.622  -0.193
  134    HA   LYS  14           HA       LYS  14  -5.514   5.723  -1.140
  135   1HB   LYS  14          HB2       LYS  14  -5.364   2.811  -1.473
  136   2HB   LYS  14          HB1       LYS  14  -6.994   3.454  -1.621
  137   1HG   LYS  14          HG2       LYS  14  -5.945   5.155  -3.243
  138   2HG   LYS  14          HG1       LYS  14  -4.585   4.032  -3.296
  139   1HD   LYS  14          HD2       LYS  14  -5.767   3.112  -4.988
  140   2HD   LYS  14          HD1       LYS  14  -6.628   2.316  -3.669
  141   1HE   LYS  14          HE2       LYS  14  -8.463   3.182  -4.624
  142   2HE   LYS  14          HE1       LYS  14  -7.964   4.680  -3.841
  143   1HZ   LYS  14          HZ1       LYS  14  -7.188   3.896  -6.597
  144   2HZ   LYS  14          HZ2       LYS  14  -6.887   5.380  -5.844
  145   3HZ   LYS  14          HZ3       LYS  14  -8.473   4.933  -6.227
  146    H    ILE  15           HN       ILE  15  -5.965   3.334   1.418
  147    HA   ILE  15           HA       ILE  15  -8.673   3.913   1.964
  148    HB   ILE  15           HB       ILE  15  -6.607   2.960   3.953
  149   1HG1  ILE  15          HG12      ILE  15  -8.332   1.359   2.049
  150   2HG1  ILE  15          HG11      ILE  15  -6.584   1.542   1.952
  151   1HG2  ILE  15          HG21      ILE  15  -8.384   2.164   5.250
  152   2HG2  ILE  15          HG22      ILE  15  -9.538   2.321   3.926
  153   3HG2  ILE  15          HG23      ILE  15  -8.909   3.763   4.723
  154   1HD1  ILE  15          HD11      ILE  15  -7.263  -0.612   2.901
  155   2HD1  ILE  15          HD12      ILE  15  -8.061   0.238   4.225
  156   3HD1  ILE  15          HD13      ILE  15  -6.311   0.349   4.032
  157    H    GLN  16           HN       GLN  16  -5.671   5.426   2.900
  158    HA   GLN  16           HA       GLN  16  -6.686   7.015   5.012
  159   1HB   GLN  16          HB2       GLN  16  -4.323   7.516   3.189
  160   2HB   GLN  16          HB1       GLN  16  -4.642   8.361   4.697
  161   1HG   GLN  16          HG2       GLN  16  -4.604   5.993   5.744
  162   2HG   GLN  16          HG1       GLN  16  -3.763   5.543   4.261
  163   1HE2  GLN  16          HE21      GLN  16  -3.689   7.995   6.821
  164   2HE2  GLN  16          HE22      GLN  16  -1.966   8.097   6.912
  165    H    ASN  17           HN       ASN  17  -6.627   7.349   1.536
  166    HA   ASN  17           HA       ASN  17  -7.260  10.113   1.427
  167   1HB   ASN  17          HB2       ASN  17  -7.182   7.848  -0.481
  168   2HB   ASN  17          HB1       ASN  17  -8.247   9.183  -0.913
  169   1HD2  ASN  17          HD21      ASN  17  -6.498   9.026  -2.684
  170   2HD2  ASN  17          HD22      ASN  17  -5.153  10.092  -2.484
  171    H    TRP  18           HN       TRP  18  -9.154   7.193   1.762
  172    HA   TRP  18           HA       TRP  18 -11.669   8.546   1.308
  173   1HB   TRP  18          HB2       TRP  18 -10.956   5.744   2.174
  174   2HB   TRP  18          HB1       TRP  18 -12.620   6.312   2.076
  175    HD1  TRP  18           HD1      TRP  18 -10.518   4.256   0.145
  176    HE1  TRP  18           HE1      TRP  18 -11.002   4.385  -2.379
  177    HE3  TRP  18           HE3      TRP  18 -13.220   8.597   0.057
  178    HZ2  TRP  18           HZ2      TRP  18 -12.352   6.099  -4.171
  179    HZ3  TRP  18           HZ3      TRP  18 -14.071   9.412  -2.103
  180    HH2  TRP  18           HH2      TRP  18 -13.645   8.188  -4.172
  181    H    LYS  19           HN       LYS  19  -9.677   7.604   4.013
  182    HA   LYS  19           HA       LYS  19 -11.588   7.798   6.063
  183   1HB   LYS  19          HB2       LYS  19  -8.829   7.300   5.874
  184   2HB   LYS  19          HB1       LYS  19  -8.980   8.696   6.931
  185   1HG   LYS  19          HG2       LYS  19 -10.442   7.483   8.408
  186   2HG   LYS  19          HG1       LYS  19 -10.463   6.103   7.308
  187   1HD   LYS  19          HD2       LYS  19  -7.764   6.576   7.766
  188   2HD   LYS  19          HD1       LYS  19  -8.524   6.829   9.339
  189   1HE   LYS  19          HE2       LYS  19  -7.975   4.540   9.264
  190   2HE   LYS  19          HE1       LYS  19  -9.710   4.620   8.962
  191   1HZ   LYS  19          HZ1       LYS  19  -8.702   3.100   7.430
  192   2HZ   LYS  19          HZ2       LYS  19  -7.576   4.259   6.929
  193   3HZ   LYS  19          HZ3       LYS  19  -9.216   4.463   6.569
  194   1HN   NH2  20          NH1       NH2  20  -9.670  10.208   4.414
  195   2HN   NH2  20          NH2       NH2  20 -10.355  11.585   5.200
  Start of MODEL   19
    1   1H    ALA   1          HT1       ALA   1   9.983  -7.629  -7.630
    2   2H    ALA   1          HT2       ALA   1  10.512  -7.556  -5.999
    3   3H    ALA   1          HT3       ALA   1   8.842  -7.418  -6.369
    4    HA   ALA   1           HA       ALA   1   8.648  -9.603  -6.953
    5   1HB   ALA   1          HB1       ALA   1  11.498 -10.303  -6.654
    6   2HB   ALA   1          HB2       ALA   1  11.073  -9.356  -8.080
    7   3HB   ALA   1          HB3       ALA   1  10.290 -10.909  -7.787
    8    H    LYS   2           HN       LYS   2  11.549  -9.197  -4.914
    9    HA   LYS   2           HA       LYS   2  10.185 -10.685  -2.791
   10   1HB   LYS   2          HB2       LYS   2  12.443 -10.852  -1.772
   11   2HB   LYS   2          HB1       LYS   2  12.359 -11.550  -3.384
   12   1HG   LYS   2          HG2       LYS   2  14.076 -10.298  -3.991
   13   2HG   LYS   2          HG1       LYS   2  13.105  -8.853  -3.707
   14   1HD   LYS   2          HD2       LYS   2  13.803  -8.848  -1.359
   15   2HD   LYS   2          HD1       LYS   2  14.775 -10.294  -1.646
   16   1HE   LYS   2          HE2       LYS   2  16.046  -8.127  -1.655
   17   2HE   LYS   2          HE1       LYS   2  16.244  -9.123  -3.097
   18   1HZ   LYS   2          HZ1       LYS   2  15.901  -6.746  -3.584
   19   2HZ   LYS   2          HZ2       LYS   2  14.364  -6.834  -2.886
   20   3HZ   LYS   2          HZ3       LYS   2  14.712  -7.731  -4.277
   21    H    LYS   3           HN       LYS   3   9.524  -7.914  -3.390
   22    HA   LYS   3           HA       LYS   3   9.560  -6.889  -0.728
   23   1HB   LYS   3          HB2       LYS   3  11.882  -6.310  -1.632
   24   2HB   LYS   3          HB1       LYS   3  11.068  -5.215  -2.740
   25   1HG   LYS   3          HG2       LYS   3  10.194  -4.823  -0.009
   26   2HG   LYS   3          HG1       LYS   3  11.941  -4.639  -0.179
   27   1HD   LYS   3          HD2       LYS   3  10.377  -3.340  -2.292
   28   2HD   LYS   3          HD1       LYS   3  10.100  -2.685  -0.677
   29   1HE   LYS   3          HE2       LYS   3  12.766  -2.994  -2.053
   30   2HE   LYS   3          HE1       LYS   3  11.896  -1.484  -1.789
   31   1HZ   LYS   3          HZ1       LYS   3  13.470  -3.066   0.068
   32   2HZ   LYS   3          HZ2       LYS   3  12.043  -2.411   0.698
   33   3HZ   LYS   3          HZ3       LYS   3  13.210  -1.394   0.016
   34    H    VAL   4           HN       VAL   4   7.608  -7.557  -2.596
   35    HA   VAL   4           HA       VAL   4   6.511  -5.236  -3.843
   36    HB   VAL   4           HB       VAL   4   5.779  -7.485  -4.517
   37   1HG1  VAL   4          HG11      VAL   4   4.111  -8.627  -2.927
   38   2HG1  VAL   4          HG12      VAL   4   4.858  -7.641  -1.669
   39   3HG1  VAL   4          HG13      VAL   4   5.834  -8.787  -2.587
   40   1HG2  VAL   4          HG21      VAL   4   3.291  -6.381  -3.350
   41   2HG2  VAL   4          HG22      VAL   4   3.653  -6.858  -5.009
   42   3HG2  VAL   4          HG23      VAL   4   4.235  -5.313  -4.389
   43    H    PHE   5           HN       PHE   5   6.956  -6.249  -0.716
   44    HA   PHE   5           HA       PHE   5   4.873  -5.527   0.827
   45   1HB   PHE   5          HB2       PHE   5   7.063  -6.486   1.553
   46   2HB   PHE   5          HB1       PHE   5   7.773  -4.891   1.368
   47    HD1  PHE   5           HD1      PHE   5   7.201  -3.084   2.915
   48    HD2  PHE   5           HD2      PHE   5   5.653  -7.015   3.425
   49    HE1  PHE   5           HE1      PHE   5   6.563  -2.528   5.225
   50    HE2  PHE   5           HE2      PHE   5   5.010  -6.466   5.736
   51    HZ   PHE   5           HZ       PHE   5   5.465  -4.220   6.638
   52    H    LYS   6           HN       LYS   6   6.925  -3.460  -0.958
   53    HA   LYS   6           HA       LYS   6   6.329  -1.027   0.376
   54   1HB   LYS   6          HB2       LYS   6   8.140  -1.730  -1.518
   55   2HB   LYS   6          HB1       LYS   6   6.951  -0.903  -2.515
   56   1HG   LYS   6          HG2       LYS   6   7.402   1.127  -1.619
   57   2HG   LYS   6          HG1       LYS   6   7.795   0.463  -0.032
   58   1HD   LYS   6          HD2       LYS   6   9.927   0.869  -0.587
   59   2HD   LYS   6          HD1       LYS   6   9.788  -0.563  -1.609
   60   1HE   LYS   6          HE2       LYS   6  10.695   1.210  -2.934
   61   2HE   LYS   6          HE1       LYS   6   9.039   0.919  -3.466
   62   1HZ   LYS   6          HZ1       LYS   6   8.649   2.802  -1.628
   63   2HZ   LYS   6          HZ2       LYS   6   8.902   3.140  -3.266
   64   3HZ   LYS   6          HZ3       LYS   6  10.188   3.249  -2.173
   65    H    ARG   7           HN       ARG   7   4.921  -2.733  -2.369
   66    HA   ARG   7           HA       ARG   7   3.102  -0.739  -3.158
   67   1HB   ARG   7          HB2       ARG   7   3.465  -3.619  -3.637
   68   2HB   ARG   7          HB1       ARG   7   1.798  -3.071  -3.754
   69   1HG   ARG   7          HG2       ARG   7   3.307  -1.188  -5.167
   70   2HG   ARG   7          HG1       ARG   7   3.960  -2.763  -5.619
   71   1HD   ARG   7          HD2       ARG   7   1.203  -3.118  -5.638
   72   2HD   ARG   7          HD1       ARG   7   1.446  -1.521  -6.344
   73    HE   ARG   7           HE       ARG   7   3.252  -3.043  -7.652
   74   1HH1  ARG   7          HH11      ARG   7  -0.169  -3.401  -7.058
   75   2HH1  ARG   7          HH12      ARG   7  -0.460  -4.271  -8.527
   76   1HH2  ARG   7          HH21      ARG   7   2.871  -4.187  -9.584
   77   2HH2  ARG   7          HH22      ARG   7   1.266  -4.717  -9.961
   78    H    LEU   8           HN       LEU   8   3.030  -3.171  -0.640
   79    HA   LEU   8           HA       LEU   8   0.288  -3.044  -0.018
   80   1HB   LEU   8          HB2       LEU   8   2.733  -4.067   1.247
   81   2HB   LEU   8          HB1       LEU   8   1.495  -3.577   2.387
   82    HG   LEU   8           HG       LEU   8   0.789  -5.398   0.117
   83   1HD1  LEU   8          HD11      LEU   8   1.651  -7.260   1.073
   84   2HD1  LEU   8          HD12      LEU   8   1.526  -6.613   2.709
   85   3HD1  LEU   8          HD13      LEU   8   2.848  -6.106   1.659
   86   1HD2  LEU   8          HD21      LEU   8  -1.114  -5.778   1.272
   87   2HD2  LEU   8          HD22      LEU   8  -0.737  -4.206   1.977
   88   3HD2  LEU   8          HD23      LEU   8  -0.312  -5.684   2.839
   89    H    GLU   9           HN       GLU   9   3.057  -1.119   1.015
   90    HA   GLU   9           HA       GLU   9   1.672   0.360   3.003
   91   1HB   GLU   9          HB2       GLU   9   4.216   0.822   1.461
   92   2HB   GLU   9          HB1       GLU   9   3.593   2.035   2.572
   93   1HG   GLU   9          HG2       GLU   9   3.995   0.743   4.427
   94   2HG   GLU   9          HG1       GLU   9   3.943  -0.767   3.519
   95    H    LYS  10           HN       LYS  10   2.070   0.696  -0.454
   96    HA   LYS  10           HA       LYS  10   1.062   3.353  -0.632
   97   1HB   LYS  10          HB2       LYS  10   2.368   1.788  -2.371
   98   2HB   LYS  10          HB1       LYS  10   0.725   1.477  -2.916
   99   1HG   LYS  10          HG2       LYS  10   0.376   3.700  -3.525
  100   2HG   LYS  10          HG1       LYS  10   1.738   4.272  -2.559
  101   1HD   LYS  10          HD2       LYS  10   3.139   4.021  -4.272
  102   2HD   LYS  10          HD1       LYS  10   2.624   2.351  -4.514
  103   1HE   LYS  10          HE2       LYS  10   1.045   2.922  -6.082
  104   2HE   LYS  10          HE1       LYS  10   0.847   4.554  -5.445
  105   1HZ   LYS  10          HZ1       LYS  10   2.034   5.022  -7.299
  106   2HZ   LYS  10          HZ2       LYS  10   2.817   3.523  -7.337
  107   3HZ   LYS  10          HZ3       LYS  10   3.338   4.722  -6.263
  108    H    LEU  11           HN       LEU  11  -0.356   0.158  -0.598
  109    HA   LEU  11           HA       LEU  11  -2.946   0.923  -1.472
  110   1HB   LEU  11          HB2       LEU  11  -1.634  -1.470  -0.518
  111   2HB   LEU  11          HB1       LEU  11  -3.221  -1.307   0.211
  112    HG   LEU  11           HG       LEU  11  -2.703  -1.237  -2.762
  113   1HD1  LEU  11          HD11      LEU  11  -2.376  -3.435  -1.276
  114   2HD1  LEU  11          HD12      LEU  11  -3.058  -3.465  -2.903
  115   3HD1  LEU  11          HD13      LEU  11  -4.125  -3.497  -1.499
  116   1HD2  LEU  11          HD21      LEU  11  -5.022  -1.230  -3.049
  117   2HD2  LEU  11          HD22      LEU  11  -4.743  -0.057  -1.762
  118   3HD2  LEU  11          HD23      LEU  11  -5.323  -1.676  -1.370
  119    H    PHE  12           HN       PHE  12  -1.324   0.846   1.633
  120    HA   PHE  12           HA       PHE  12  -3.641   1.223   3.230
  121   1HB   PHE  12          HB2       PHE  12  -0.927   0.786   3.705
  122   2HB   PHE  12          HB1       PHE  12  -1.225   2.393   4.358
  123    HD1  PHE  12           HD1      PHE  12  -1.633  -1.137   4.840
  124    HD2  PHE  12           HD2      PHE  12  -3.050   2.685   6.064
  125    HE1  PHE  12           HE1      PHE  12  -2.600  -2.148   6.864
  126    HE2  PHE  12           HE2      PHE  12  -4.018   1.682   8.091
  127    HZ   PHE  12           HZ       PHE  12  -3.793  -0.738   8.493
  128    H    SER  13           HN       SER  13  -1.475   3.375   1.514
  129    HA   SER  13           HA       SER  13  -2.371   5.784   2.721
  130   1HB   SER  13          HB2       SER  13  -1.092   6.907   1.095
  131   2HB   SER  13          HB1       SER  13  -0.242   5.377   1.306
  132    HG   SER  13           HG       SER  13  -1.108   4.640  -0.591
  133    H    LYS  14           HN       LYS  14  -3.509   3.799   0.085
  134    HA   LYS  14           HA       LYS  14  -5.275   5.704  -1.060
  135   1HB   LYS  14          HB2       LYS  14  -4.864   2.766  -1.263
  136   2HB   LYS  14          HB1       LYS  14  -6.432   3.387  -1.760
  137   1HG   LYS  14          HG2       LYS  14  -5.399   4.829  -3.387
  138   2HG   LYS  14          HG1       LYS  14  -3.791   4.361  -2.829
  139   1HD   LYS  14          HD2       LYS  14  -3.909   2.879  -4.523
  140   2HD   LYS  14          HD1       LYS  14  -4.857   1.935  -3.373
  141   1HE   LYS  14          HE2       LYS  14  -6.879   3.219  -4.313
  142   2HE   LYS  14          HE1       LYS  14  -5.809   3.643  -5.648
  143   1HZ   LYS  14          HZ1       LYS  14  -5.912   0.828  -4.915
  144   2HZ   LYS  14          HZ2       LYS  14  -5.825   1.547  -6.444
  145   3HZ   LYS  14          HZ3       LYS  14  -7.307   1.463  -5.633
  146    H    ILE  15           HN       ILE  15  -5.523   3.409   1.575
  147    HA   ILE  15           HA       ILE  15  -8.342   3.545   1.882
  148    HB   ILE  15           HB       ILE  15  -6.302   2.926   4.023
  149   1HG1  ILE  15          HG12      ILE  15  -7.703   1.008   2.149
  150   2HG1  ILE  15          HG11      ILE  15  -6.032   1.530   1.970
  151   1HG2  ILE  15          HG21      ILE  15  -8.955   3.333   4.340
  152   2HG2  ILE  15          HG22      ILE  15  -7.993   2.252   5.348
  153   3HG2  ILE  15          HG23      ILE  15  -8.929   1.602   4.001
  154   1HD1  ILE  15          HD11      ILE  15  -5.381  -0.088   3.321
  155   2HD1  ILE  15          HD12      ILE  15  -7.055  -0.614   3.493
  156   3HD1  ILE  15          HD13      ILE  15  -6.382   0.569   4.615
  157    H    GLN  16           HN       GLN  16  -5.665   5.487   3.025
  158    HA   GLN  16           HA       GLN  16  -7.135   6.943   4.981
  159   1HB   GLN  16          HB2       GLN  16  -4.494   6.715   4.386
  160   2HB   GLN  16          HB1       GLN  16  -4.847   8.286   3.680
  161   1HG   GLN  16          HG2       GLN  16  -5.027   9.275   5.672
  162   2HG   GLN  16          HG1       GLN  16  -5.930   7.931   6.368
  163   1HE2  GLN  16          HE21      GLN  16  -4.913   7.382   8.164
  164   2HE2  GLN  16          HE22      GLN  16  -3.218   7.079   8.314
  165    H    ASN  17           HN       ASN  17  -6.612   7.266   1.542
  166    HA   ASN  17           HA       ASN  17  -7.611   9.937   1.340
  167   1HB   ASN  17          HB2       ASN  17  -7.077   7.755  -0.669
  168   2HB   ASN  17          HB1       ASN  17  -7.810   9.286  -1.139
  169   1HD2  ASN  17          HD21      ASN  17  -5.688   9.003  -2.445
  170   2HD2  ASN  17          HD22      ASN  17  -4.315   9.816  -1.784
  171    H    TRP  18           HN       TRP  18  -9.009   6.743   1.311
  172    HA   TRP  18           HA       TRP  18 -11.570   7.651   0.323
  173   1HB   TRP  18          HB2       TRP  18 -10.480   5.016   1.266
  174   2HB   TRP  18          HB1       TRP  18 -12.215   5.239   1.065
  175    HD1  TRP  18           HD1      TRP  18  -9.206   4.257  -0.824
  176    HE1  TRP  18           HE1      TRP  18  -9.707   4.158  -3.347
  177    HE3  TRP  18           HE3      TRP  18 -13.713   6.671  -0.852
  178    HZ2  TRP  18           HZ2      TRP  18 -11.744   4.992  -5.114
  179    HZ3  TRP  18           HZ3      TRP  18 -14.872   6.980  -3.000
  180    HH2  TRP  18           HH2      TRP  18 -13.907   6.157  -5.087
  181    H    LYS  19           HN       LYS  19 -10.035   7.052   3.395
  182    HA   LYS  19           HA       LYS  19 -12.345   6.890   5.001
  183   1HB   LYS  19          HB2       LYS  19  -9.459   7.448   5.472
  184   2HB   LYS  19          HB1       LYS  19 -10.590   7.883   6.746
  185   1HG   LYS  19          HG2       LYS  19 -11.172   5.699   7.165
  186   2HG   LYS  19          HG1       LYS  19 -10.713   5.156   5.550
  187   1HD   LYS  19          HD2       LYS  19  -9.017   4.300   6.885
  188   2HD   LYS  19          HD1       LYS  19  -8.315   5.799   6.273
  189   1HE   LYS  19          HE2       LYS  19  -9.811   5.823   8.855
  190   2HE   LYS  19          HE1       LYS  19  -8.163   5.198   8.817
  191   1HZ   LYS  19          HZ1       LYS  19  -7.846   7.416   9.275
  192   2HZ   LYS  19          HZ2       LYS  19  -9.121   7.930   8.291
  193   3HZ   LYS  19          HZ3       LYS  19  -7.674   7.404   7.592
  194   1HN   NH2  20          NH1       NH2  20 -13.794   8.379   5.459
  195   2HN   NH2  20          NH2       NH2  20 -13.563  10.090   5.408
  Start of MODEL   20
    1   1H    ALA   1          HT1       ALA   1   9.784 -12.907  -2.593
    2   2H    ALA   1          HT2       ALA   1   9.451 -12.009  -1.169
    3   3H    ALA   1          HT3       ALA   1  10.383 -13.447  -1.081
    4    HA   ALA   1           HA       ALA   1  11.576 -11.264  -0.966
    5   1HB   ALA   1          HB1       ALA   1  13.437 -12.353  -1.632
    6   2HB   ALA   1          HB2       ALA   1  12.735 -12.834  -3.177
    7   3HB   ALA   1          HB3       ALA   1  12.339 -13.731  -1.712
    8    H    LYS   2           HN       LYS   2   9.256 -10.698  -2.666
    9    HA   LYS   2           HA       LYS   2  10.514  -9.507  -5.027
   10   1HB   LYS   2          HB2       LYS   2   8.053  -9.009  -5.620
   11   2HB   LYS   2          HB1       LYS   2   8.618 -10.670  -5.721
   12   1HG   LYS   2          HG2       LYS   2   7.608 -11.167  -3.568
   13   2HG   LYS   2          HG1       LYS   2   7.080  -9.490  -3.417
   14   1HD   LYS   2          HD2       LYS   2   5.174 -10.183  -4.366
   15   2HD   LYS   2          HD1       LYS   2   6.090 -10.214  -5.874
   16   1HE   LYS   2          HE2       LYS   2   6.761 -12.607  -5.089
   17   2HE   LYS   2          HE1       LYS   2   5.333 -12.469  -4.064
   18   1HZ   LYS   2          HZ1       LYS   2   5.269 -13.376  -6.560
   19   2HZ   LYS   2          HZ2       LYS   2   4.968 -11.737  -6.850
   20   3HZ   LYS   2          HZ3       LYS   2   3.954 -12.613  -5.818
   21    H    LYS   3           HN       LYS   3   9.690  -8.663  -1.915
   22    HA   LYS   3           HA       LYS   3   9.251  -6.701  -0.812
   23   1HB   LYS   3          HB2       LYS   3  10.799  -4.920  -1.344
   24   2HB   LYS   3          HB1       LYS   3  11.625  -6.464  -1.508
   25   1HG   LYS   3          HG2       LYS   3  11.515  -6.355  -3.886
   26   2HG   LYS   3          HG1       LYS   3  10.456  -4.945  -3.826
   27   1HD   LYS   3          HD2       LYS   3  12.348  -3.764  -2.609
   28   2HD   LYS   3          HD1       LYS   3  13.366  -5.123  -3.086
   29   1HE   LYS   3          HE2       LYS   3  11.801  -3.996  -5.282
   30   2HE   LYS   3          HE1       LYS   3  12.936  -2.854  -4.564
   31   1HZ   LYS   3          HZ1       LYS   3  13.833  -5.568  -5.271
   32   2HZ   LYS   3          HZ2       LYS   3  14.736  -4.144  -5.146
   33   3HZ   LYS   3          HZ3       LYS   3  13.714  -4.382  -6.472
   34    H    VAL   4           HN       VAL   4   7.280  -7.325  -2.692
   35    HA   VAL   4           HA       VAL   4   6.518  -4.995  -4.171
   36    HB   VAL   4           HB       VAL   4   4.743  -7.217  -3.122
   37   1HG1  VAL   4          HG11      VAL   4   3.170  -5.734  -3.779
   38   2HG1  VAL   4          HG12      VAL   4   3.553  -6.370  -5.379
   39   3HG1  VAL   4          HG13      VAL   4   4.280  -4.859  -4.834
   40   1HG2  VAL   4          HG21      VAL   4   6.658  -7.934  -4.604
   41   2HG2  VAL   4          HG22      VAL   4   5.905  -6.989  -5.888
   42   3HG2  VAL   4          HG23      VAL   4   5.044  -8.354  -5.177
   43    H    PHE   5           HN       PHE   5   6.714  -5.825  -0.966
   44    HA   PHE   5           HA       PHE   5   4.672  -4.808   0.438
   45   1HB   PHE   5          HB2       PHE   5   6.743  -5.869   1.325
   46   2HB   PHE   5          HB1       PHE   5   7.597  -4.363   1.028
   47    HD1  PHE   5           HD1      PHE   5   7.484  -2.570   2.561
   48    HD2  PHE   5           HD2      PHE   5   4.898  -5.919   3.014
   49    HE1  PHE   5           HE1      PHE   5   6.831  -1.758   4.790
   50    HE2  PHE   5           HE2      PHE   5   4.238  -5.113   5.243
   51    HZ   PHE   5           HZ       PHE   5   5.205  -3.030   6.133
   52    H    LYS   6           HN       LYS   6   6.954  -3.041  -1.395
   53    HA   LYS   6           HA       LYS   6   6.489  -0.478  -0.280
   54   1HB   LYS   6          HB2       LYS   6   8.063  -1.592  -2.411
   55   2HB   LYS   6          HB1       LYS   6   7.213  -0.172  -3.004
   56   1HG   LYS   6          HG2       LYS   6   8.967   0.941  -2.179
   57   2HG   LYS   6          HG1       LYS   6   8.147   0.740  -0.629
   58   1HD   LYS   6          HD2       LYS   6   9.519  -1.041   0.001
   59   2HD   LYS   6          HD1       LYS   6  10.042  -1.344  -1.657
   60   1HE   LYS   6          HE2       LYS   6  11.438   0.555  -1.672
   61   2HE   LYS   6          HE1       LYS   6  10.696   1.208  -0.212
   62   1HZ   LYS   6          HZ1       LYS   6  12.996  -0.105  -0.208
   63   2HZ   LYS   6          HZ2       LYS   6  11.945  -1.406   0.039
   64   3HZ   LYS   6          HZ3       LYS   6  11.940  -0.100   1.114
   65    H    ARG   7           HN       ARG   7   5.162  -2.168  -3.105
   66    HA   ARG   7           HA       ARG   7   3.464  -0.087  -3.952
   67   1HB   ARG   7          HB2       ARG   7   3.562  -3.042  -4.392
   68   2HB   ARG   7          HB1       ARG   7   2.108  -2.169  -4.856
   69   1HG   ARG   7          HG2       ARG   7   3.610  -0.632  -6.186
   70   2HG   ARG   7          HG1       ARG   7   4.900  -1.801  -5.898
   71   1HD   ARG   7          HD2       ARG   7   4.106  -3.200  -7.446
   72   2HD   ARG   7          HD1       ARG   7   2.457  -3.059  -6.840
   73    HE   ARG   7           HE       ARG   7   3.339  -0.773  -8.344
   74   1HH1  ARG   7          HH11      ARG   7   1.891  -3.942  -8.538
   75   2HH1  ARG   7          HH12      ARG   7   1.106  -3.628 -10.049
   76   1HH2  ARG   7          HH21      ARG   7   2.308  -0.359 -10.332
   77   2HH2  ARG   7          HH22      ARG   7   1.343  -1.594 -11.069
   78    H    LEU   8           HN       LEU   8   3.174  -2.565  -1.507
   79    HA   LEU   8           HA       LEU   8   0.397  -2.360  -1.050
   80   1HB   LEU   8          HB2       LEU   8   2.707  -3.584   0.251
   81   2HB   LEU   8          HB1       LEU   8   1.507  -3.019   1.398
   82    HG   LEU   8           HG       LEU   8   0.212  -4.457  -0.733
   83   1HD1  LEU   8          HD11      LEU   8   1.286  -6.689   0.278
   84   2HD1  LEU   8          HD12      LEU   8   2.696  -5.633   0.347
   85   3HD1  LEU   8          HD13      LEU   8   1.879  -5.913  -1.191
   86   1HD2  LEU   8          HD21      LEU   8   0.379  -5.617   1.967
   87   2HD2  LEU   8          HD22      LEU   8  -1.029  -5.248   0.972
   88   3HD2  LEU   8          HD23      LEU   8  -0.231  -3.964   1.882
   89    H    GLU   9           HN       GLU   9   3.158  -0.498   0.030
   90    HA   GLU   9           HA       GLU   9   1.852   0.896   2.123
   91   1HB   GLU   9          HB2       GLU   9   4.280   1.546   0.451
   92   2HB   GLU   9          HB1       GLU   9   3.720   2.585   1.754
   93   1HG   GLU   9          HG2       GLU   9   4.035   0.788   3.353
   94   2HG   GLU   9          HG1       GLU   9   4.536  -0.297   2.057
   95    H    LYS  10           HN       LYS  10   2.117   1.419  -1.341
   96    HA   LYS  10           HA       LYS  10   1.021   4.050  -1.317
   97   1HB   LYS  10          HB2       LYS  10   1.249   1.982  -3.511
   98   2HB   LYS  10          HB1       LYS  10   0.641   3.611  -3.771
   99   1HG   LYS  10          HG2       LYS  10   3.125   3.817  -2.420
  100   2HG   LYS  10          HG1       LYS  10   3.325   2.694  -3.766
  101   1HD   LYS  10          HD2       LYS  10   1.843   5.212  -4.290
  102   2HD   LYS  10          HD1       LYS  10   3.587   5.330  -4.051
  103   1HE   LYS  10          HE2       LYS  10   3.882   4.702  -6.160
  104   2HE   LYS  10          HE1       LYS  10   3.161   3.142  -5.770
  105   1HZ   LYS  10          HZ1       LYS  10   1.981   5.455  -7.100
  106   2HZ   LYS  10          HZ2       LYS  10   0.968   4.558  -6.085
  107   3HZ   LYS  10          HZ3       LYS  10   1.743   3.804  -7.386
  108    H    LEU  11           HN       LEU  11  -0.302   0.809  -1.642
  109    HA   LEU  11           HA       LEU  11  -2.950   1.603  -2.265
  110   1HB   LEU  11          HB2       LEU  11  -1.538  -0.861  -1.664
  111   2HB   LEU  11          HB1       LEU  11  -3.116  -0.832  -0.902
  112    HG   LEU  11           HG       LEU  11  -3.107  -1.913  -3.136
  113   1HD1  LEU  11          HD11      LEU  11  -5.211  -1.221  -3.559
  114   2HD1  LEU  11          HD12      LEU  11  -4.767   0.486  -3.557
  115   3HD1  LEU  11          HD13      LEU  11  -5.004  -0.366  -2.031
  116   1HD2  LEU  11          HD21      LEU  11  -2.686   0.847  -4.251
  117   2HD2  LEU  11          HD22      LEU  11  -2.748  -0.685  -5.121
  118   3HD2  LEU  11          HD23      LEU  11  -1.378  -0.323  -4.072
  119    H    PHE  12           HN       PHE  12  -1.138   1.250   0.698
  120    HA   PHE  12           HA       PHE  12  -3.333   1.268   2.488
  121   1HB   PHE  12          HB2       PHE  12  -1.017   0.566   3.097
  122   2HB   PHE  12          HB1       PHE  12  -0.514   2.250   2.988
  123    HD1  PHE  12           HD1      PHE  12  -3.559   0.707   4.475
  124    HD2  PHE  12           HD2      PHE  12   0.006   2.937   5.125
  125    HE1  PHE  12           HE1      PHE  12  -4.206   1.047   6.824
  126    HE2  PHE  12           HE2      PHE  12  -0.634   3.281   7.476
  127    HZ   PHE  12           HZ       PHE  12  -2.742   2.335   8.328
  128    H    SER  13           HN       SER  13  -1.514   3.766   0.841
  129    HA   SER  13           HA       SER  13  -2.431   5.961   2.375
  130   1HB   SER  13          HB2       SER  13  -1.069   5.586  -0.234
  131   2HB   SER  13          HB1       SER  13  -1.951   7.100  -0.029
  132    HG   SER  13           HG       SER  13   0.423   6.700   0.779
  133    H    LYS  14           HN       LYS  14  -3.741   4.217  -0.375
  134    HA   LYS  14           HA       LYS  14  -5.789   6.074  -1.007
  135   1HB   LYS  14          HB2       LYS  14  -5.060   4.335  -2.582
  136   2HB   LYS  14          HB1       LYS  14  -5.665   3.090  -1.498
  137   1HG   LYS  14          HG2       LYS  14  -7.610   5.147  -2.321
  138   2HG   LYS  14          HG1       LYS  14  -7.048   4.049  -3.583
  139   1HD   LYS  14          HD2       LYS  14  -7.863   2.882  -0.973
  140   2HD   LYS  14          HD1       LYS  14  -9.130   3.467  -2.052
  141   1HE   LYS  14          HE2       LYS  14  -7.822   2.088  -3.848
  142   2HE   LYS  14          HE1       LYS  14  -7.177   1.242  -2.443
  143   1HZ   LYS  14          HZ1       LYS  14  -9.872   1.368  -1.993
  144   2HZ   LYS  14          HZ2       LYS  14  -9.011   0.015  -2.530
  145   3HZ   LYS  14          HZ3       LYS  14  -9.755   1.041  -3.649
  146    H    ILE  15           HN       ILE  15  -5.572   3.334   1.189
  147    HA   ILE  15           HA       ILE  15  -8.323   3.251   1.876
  148    HB   ILE  15           HB       ILE  15  -5.999   2.386   3.602
  149   1HG1  ILE  15          HG12      ILE  15  -7.514   0.823   1.499
  150   2HG1  ILE  15          HG11      ILE  15  -5.846   1.371   1.369
  151   1HG2  ILE  15          HG21      ILE  15  -8.540   2.573   4.370
  152   2HG2  ILE  15          HG22      ILE  15  -7.479   1.275   4.918
  153   3HG2  ILE  15          HG23      ILE  15  -8.611   0.990   3.596
  154   1HD1  ILE  15          HD11      ILE  15  -6.904  -0.608   3.372
  155   2HD1  ILE  15          HD12      ILE  15  -5.233  -0.057   3.251
  156   3HD1  ILE  15          HD13      ILE  15  -5.955  -0.983   1.934
  157    H    GLN  16           HN       GLN  16  -5.593   5.131   2.977
  158    HA   GLN  16           HA       GLN  16  -6.808   6.120   5.354
  159   1HB   GLN  16          HB2       GLN  16  -4.281   6.229   4.241
  160   2HB   GLN  16          HB1       GLN  16  -4.840   7.891   4.105
  161   1HG   GLN  16          HG2       GLN  16  -3.652   7.645   6.160
  162   2HG   GLN  16          HG1       GLN  16  -5.364   7.865   6.523
  163   1HE2  GLN  16          HE21      GLN  16  -6.171   6.548   7.982
  164   2HE2  GLN  16          HE22      GLN  16  -5.562   4.985   8.396
  165    H    ASN  17           HN       ASN  17  -6.851   7.054   1.990
  166    HA   ASN  17           HA       ASN  17  -7.961   9.654   2.410
  167   1HB   ASN  17          HB2       ASN  17  -6.743   8.555   0.307
  168   2HB   ASN  17          HB1       ASN  17  -8.406   8.208  -0.157
  169   1HD2  ASN  17          HD21      ASN  17  -6.352  10.043  -1.267
  170   2HD2  ASN  17          HD22      ASN  17  -7.119  11.590  -1.328
  171    H    TRP  18           HN       TRP  18  -9.240   6.431   2.043
  172    HA   TRP  18           HA       TRP  18 -11.955   7.330   1.631
  173   1HB   TRP  18          HB2       TRP  18 -10.825   5.119   0.806
  174   2HB   TRP  18          HB1       TRP  18 -11.230   4.526   2.414
  175    HD1  TRP  18           HD1      TRP  18 -13.692   6.896   0.765
  176    HE1  TRP  18           HE1      TRP  18 -15.810   5.588   0.112
  177    HE3  TRP  18           HE3      TRP  18 -12.026   2.147   1.669
  178    HZ2  TRP  18           HZ2      TRP  18 -16.662   2.899  -0.005
  179    HZ3  TRP  18           HZ3      TRP  18 -13.554   0.263   1.261
  180    HH2  TRP  18           HH2      TRP  18 -15.824   0.633   0.441
  181    H    LYS  19           HN       LYS  19  -9.931   6.331   4.290
  182    HA   LYS  19           HA       LYS  19 -11.986   5.821   6.168
  183   1HB   LYS  19          HB2       LYS  19  -9.155   5.770   6.127
  184   2HB   LYS  19          HB1       LYS  19  -9.623   6.820   7.458
  185   1HG   LYS  19          HG2       LYS  19 -11.233   4.893   8.089
  186   2HG   LYS  19          HG1       LYS  19 -10.191   3.916   7.054
  187   1HD   LYS  19          HD2       LYS  19  -9.229   3.645   9.148
  188   2HD   LYS  19          HD1       LYS  19  -8.259   4.939   8.441
  189   1HE   LYS  19          HE2       LYS  19 -10.087   6.458   9.591
  190   2HE   LYS  19          HE1       LYS  19 -10.275   5.045  10.628
  191   1HZ   LYS  19          HZ1       LYS  19  -8.126   5.234  11.416
  192   2HZ   LYS  19          HZ2       LYS  19  -8.595   6.853  11.285
  193   3HZ   LYS  19          HZ3       LYS  19  -7.599   6.164  10.105
  194   1HN   NH2  20          NH1       NH2  20 -10.119   8.706   5.380
  195   2HN   NH2  20          NH2       NH2  20 -11.105   9.816   6.262