*HEADER    ANTIMICROBIAL PROTEIN                   12-JAN-07   2OJN              
*TITLE     SOLUTION STRUCTURE AND CELL SELECTIVITY OF PISCIDIN 1 AND             
*TITLE    2 ITS ANALOGUES                                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PISCIDIN_PG;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN HYBRID              
*SOURCE   4 STRIPED BASS                                                         
*KEYWDS    PISCIDIN 1, ANTIMICROBIAL PEPTIDE, PROLINE, MEMBRANE,                 
*KEYWDS   2 STRUCTURE, ANTIMICROBIAL PROTEIN                                     
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    S.A.LEE, Y.K.KIM, Y.KIM                                               
*REVDAT   1   27-NOV-07 2OJN    0                                                



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

!H-bond
assign (resid    5 and  name N    )(resid    1 and  name O    ) 3.3 0.8 0.2
assign (resid    6 and  name N    )(resid    2 and  name O    ) 3.3 0.8 0.2
assign (resid    7 and  name N    )(resid    3 and  name O    ) 3.3 0.8 0.2
assign (resid    8 and  name N    )(resid    4 and  name O    ) 3.3 0.8 0.2
assign (resid    9 and  name N    )(resid    5 and  name O    ) 3.3 0.8 0.2
assign (resid    10 and  name N    )(resid   6 and  name O    ) 3.3 0.8 0.2
assign (resid    11 and  name N    )(resid   7 and  name O    ) 3.3 0.8 0.2
assign (resid    12 and  name N    )(resid   8 and  name O    ) 3.3 0.8 0.2
assign (resid    13 and  name N    )(resid   9 and  name O    ) 3.3 0.8 0.2
assign (resid    14 and  name N    )(resid  10 and  name O    ) 3.3 0.8 0.2
assign (resid    15 and  name N    )(resid  11 and  name O    ) 3.3 0.8 0.2
assign (resid    16 and  name N    )(resid  12 and  name O    ) 3.3 0.8 0.2
assign (resid    17 and  name N    )(resid  13 and  name O    ) 3.3 0.8 0.2
assign (resid    18 and  name N    )(resid  14 and  name O    ) 3.3 0.8 0.2
assign (resid    19 and  name N    )(resid  15 and  name O    ) 3.3 0.8 0.2
assign (resid    20 and  name N    )(resid  16 and  name O    ) 3.3 0.8 0.2
assign (resid    21 and  name N    )(resid  17 and  name O    ) 3.3 0.8 0.2
assign (resid    22 and  name N    )(resid  18 and  name O    ) 3.3 0.8 0.2

! NH-NH NOEs
! i-i+1
assign (resid    2 and  name HN   )(resid    3 and  name HN   ) 4.0 2.2 1.0 !W
assign (resid    3 and  name HN   )(resid    4 and  name HN   ) 4.0 2.2 1.5 !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   ) 3.0 1.2 0.5 !M
assign (resid    8 and  name HN   )(resid    9 and  name HN   ) 4.0 2.2 1.5 !W+
assign (resid    9 and  name HN   )(resid   10 and  name HN   ) 4.0 2.2 1.0 !W
assign (resid   10 and  name HN   )(resid   11 and  name HN   ) 4.0 2.2 1.0 !W
assign (resid   11 and  name HN   )(resid   12 and  name HN   ) 4.0 2.2 1.0 !W
assign (resid   12 and  name HN   )(resid   13 and  name HN   ) 3.0 1.2 0.5 !M
assign (resid   13 and  name HN   )(resid   14 and  name HN   ) 4.0 2.2 1.0 !W
assign (resid   14 and  name HN   )(resid   15 and  name HN   ) 4.0 2.2 1.0 !W
assign (resid   15 and  name HN   )(resid   16 and  name HN   ) 4.0 2.2 1.0 !W
assign (resid   16 and  name HN   )(resid   17 and  name HN   ) 4.0 2.2 1.0 !W
assign (resid   17 and  name HN   )(resid   18 and  name HN   ) 4.0 2.2 1.0 !W
assign (resid   18 and  name HN   )(resid   19 and  name HN   ) 4.0 2.2 1.0 !W
assign (resid   19 and  name HN   )(resid   20 and  name HN   ) 4.0 2.2 1.0 !W
assign (resid   20 and  name HN   )(resid   21 and  name HN   ) 3.0 1.2 0.5 !M
assign (resid   21 and  name HN   )(resid   22 and  name HN   ) 3.0 1.2 0.5 !M

! CaH-NH NOEs
! i-i+1
assign (resid    3 and  name HN   )(resid    2 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid    4 and  name HN   )(resid    3 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid    5 and  name HN   )(resid    4 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid    6 and  name HN   )(resid    5 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid    7 and  name HN   )(resid    6 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid    8 and  name HN   )(resid    7 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid    9 and  name HN   )(resid    8 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   10 and  name HN   )(resid    9 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   11 and  name HN   )(resid   10 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   12 and  name HN   )(resid   11 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   13 and  name HN   )(resid   12 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   14 and  name HN   )(resid   13 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   15 and  name HN   )(resid   14 and  name HA   ) 4.0 2.2 1.0 !W
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   ) 3.0 1.2 0.5 !M
assign (resid   21 and  name HN   )(resid   20 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid   22 and  name HN   )(resid   21 and  name HA   ) 3.0 1.2 0.5 !M

! i-i+2
!assign (resid    10 and  name NH   )(resid    8 and  name HA   ) 4.0 2.2 1.0 !W
!assign (resid    12 and  name NH   )(resid   10 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid    22 and  name NH   )(resid   20 and  name HA   ) 3.0 1.2 1.0 !M

! i-i+3
assign (resid    5 and  name HN   )(resid    2 and  name HA   ) 3.0 1.2 1.0 !M
assign (resid    6 and  name HN   )(resid    3 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid    7 and  name HN   )(resid    4 and  name HA   ) 4.0 2.2 0.5 !W
assign (resid    8 and  name HN   )(resid    5 and  name HA   ) 4.0 2.2 0.5 !W
assign (resid    9 and  name HN   )(resid    6 and  name HA   ) 4.0 2.2 0.5 !W
assign (resid   10 and  name HN   )(resid    7 and  name HA   ) 4.0 2.2 0.5 !W
assign (resid   11 and  name HN   )(resid    8 and  name HA   ) 4.0 2.2 0.5 !W-
assign (resid   12 and  name HN   )(resid    9 and  name HA   ) 3.0 1.2 1.0 !M+
assign (resid   13 and  name HN   )(resid   10 and  name HA   ) 3.0 1.2 1.0 !M+
assign (resid   14 and  name HN   )(resid   11 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   15 and  name HN   )(resid   12 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   16 and  name HN   )(resid   13 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   17 and  name HN   )(resid   14 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   19 and  name HN   )(resid   16 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   20 and  name HN   )(resid   17 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid   21 and  name HN   )(resid   18 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid   22 and  name HN   )(resid   19 and  name HA   ) 3.0 1.2 0.5 !M

! i-i+4
assign (resid    6 and  name HN   )(resid    2 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid    8 and  name HN   )(resid    4 and  name HA   ) 3.0 1.2 1.0 !M
assign (resid    9 and  name HN   )(resid    5 and  name HA   ) 4.0 2.2 0.5 !W-
assign (resid   10 and  name HN   )(resid    6 and  name HA   ) 3.0 1.2 1.0 !M
assign (resid   11 and  name HN   )(resid    7 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   12 and  name HN   )(resid    8 and  name HA   ) 4.0 2.2 0.5 !W-
assign (resid   14 and  name HN   )(resid   10 and  name HA   ) 3.0 1.2 1.0 !M+
assign (resid   15 and  name HN   )(resid   11 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid   16 and  name HN   )(resid   12 and  name HA   ) 3.0 1.2 1.0 !M+
assign (resid   17 and  name HN   )(resid   13 and  name HA   ) 3.0 1.2 1.0 !M+
assign (resid   18 and  name HN   )(resid   14 and  name HA   ) 4.0 2.2 0.5 !W-
assign (resid   19 and  name HN   )(resid   15 and  name HA   ) 4.0 2.2 0.5 !W-
assign (resid   20 and  name HN   )(resid   16 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid   22 and  name HN   )(resid   18 and  name HA   ) 4.0 2.2 0.5 !W-

! NH-Cb/Cg/CdH(sequential)
assign (resid    3 and  name HN   )(resid    2 and  name HB1  ) 3.0 1.2 1.0 !M+
assign (resid    3 and  name HN   )(resid    2 and  name HB2  ) 3.0 1.2 1.0 !M+
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    5 and  name HN   )(resid    4 and  name HB1  ) 4.0 2.2 1.0 !W
assign (resid    5 and  name HN   )(resid    4 and  name HB2  ) 4.0 2.2 1.0 !W
assign (resid    6 and  name HN   )(resid    5 and  name HB   ) 4.0 2.2 1.0 !W
assign (resid    6 and  name HN   )(resid    5 and  name HG1# ) 3.0 1.2 1.5 !M
assign (resid    6 and  name HN   )(resid    5 and  name HG2# ) 3.0 1.2 1.0 !M+
assign (resid    6 and  name HN   )(resid    5 and  name HD1# ) 3.0 1.2 1.0 !M+
assign (resid    7 and  name HN   )(resid    6 and  name HB1  ) 4.0 2.2 1.0 !W
assign (resid    7 and  name HN   )(resid    6 and  name HB2  ) 4.0 2.2 1.0 !W
assign (resid    8 and  name HN   )(resid    7 and  name HB#  ) 3.0 1.2 1.5 !Mm
assign (resid    8 and  name HN   )(resid    7 and  name HG#  ) 3.0 1.2 1.0 !M+
assign (resid    9 and  name HN   )(resid    8 and  name HB#  ) 4.0 2.2 1.0 !W
assign (resid   10 and  name HN   )(resid    9 and  name HB   ) 4.0 2.2 1.0 !W
assign (resid   10 and  name HN   )(resid    9 and  name HG1# ) 4.0 2.2 1.0 !W
assign (resid   10 and  name HN   )(resid    9 and  name HG2# ) 4.0 2.2 1.0 !W
assign (resid   10 and  name HN   )(resid    9 and  name HD1# ) 4.0 2.2 1.0 !M-W
assign (resid   11 and  name HN   )(resid   10 and  name HB   ) 4.0 2.2 1.0 !W
assign (resid   11 and  name HN   )(resid   10 and  name HG1# ) 3.0 1.2 0.5 !M
assign (resid   12 and  name HN   )(resid   11 and  name HB#  ) 3.0 1.2 0.5 !M
assign (resid   13 and  name HN   )(resid   12 and  name HB   ) 4.0 2.2 1.0 !W
assign (resid   13 and  name HN   )(resid   12 and  name HG1# ) 3.0 1.2 0.5 !M
assign (resid   13 and  name HN   )(resid   12 and  name HG2# ) 3.0 1.2 1.0 !M+
assign (resid   14 and  name HN   )(resid   13 and  name HB#  ) 3.0 1.2 0.5 !M
assign (resid   15 and  name HN   )(resid   14 and  name HB#  ) 3.0 1.2 0.5 !M
assign (resid   15 and  name HN   )(resid   14 and  name HG#  ) 3.0 1.2 0.5 !M
assign (resid   16 and  name HN   )(resid   15 and  name HB   ) 4.0 2.2 1.0 !W
assign (resid   16 and  name HN   )(resid   15 and  name HG2# ) 4.0 2.2 1.0 !W
assign (resid   17 and  name HN   )(resid   16 and  name HB   ) 4.0 2.2 1.0 !W
assign (resid   17 and  name HN   )(resid   16 and  name HG11 ) 4.0 2.2 1.0 !W
assign (resid   17 and  name HN   )(resid   16 and  name HG12 ) 4.0 2.2 1.0 !W
assign (resid   17 and  name HN   )(resid   16 and  name HG2# ) 4.0 2.2 1.0 !W
assign (resid   17 and  name HN   )(resid   16 and  name HD1# ) 4.0 2.2 1.0 !W
assign (resid   18 and  name HN   )(resid   17 and  name HB1  ) 4.0 2.2 1.0 !W
assign (resid   18 and  name HN   )(resid   17 and  name HB2  ) 4.0 2.2 1.0 !W
assign (resid   19 and  name HN   )(resid   18 and  name HB#  ) 4.0 2.2 1.0 !W
assign (resid   19 and  name HN   )(resid   18 and  name HG#  ) 4.0 2.2 1.0 !W
assign (resid   19 and  name HN   )(resid   18 and  name HD#  ) 4.0 2.2 1.0 !W
assign (resid   20 and  name HN   )(resid   19 and  name HB#  ) 4.0 2.2 1.0 !W
assign (resid   20 and  name HN   )(resid   19 and  name HG   ) 4.0 2.2 1.0 !W
assign (resid   21 and  name HN   )(resid   20 and  name HB   ) 3.0 1.2 1.5 !Mm
assign (resid   21 and  name HN   )(resid   20 and  name HG1# ) 3.0 1.2 1.0 !M+
assign (resid   21 and  name HN   )(resid   20 and  name HG2# ) 4.0 2.2 1.0 !W
assign (resid   22 and  name HN   )(resid   21 and  name HB   ) 4.0 2.2 1.0 !W
assign (resid   22 and  name HN   )(resid   21 and  name HG2# ) 4.0 2.2 1.0 !W

! NH-Cb/Cg/CdH(i-i+3)
!assign (resid    6 and  name HN   )(resid    3 and  name HB1  ) 4.0 2.2 1.0 !W
!assign (resid    6 and  name HN   )(resid    3 and  name HB1  ) 4.0 2.2 1.0 !W
assign (resid    7 and  name HN   )(resid    4 and  name HB1  ) 4.0 2.2 1.0 !W
!assign (resid    7 and  name HN   )(resid    4 and  name HB2  ) 4.0 2.2 1.0 !W
!assign (resid    8 and  name HN   )(resid    5 and  name HB   ) 4.0 2.2 1.0 !W
!assign (resid    8 and  name HN   )(resid    5 and  name HG11 ) 4.0 2.2 1.5 !W+
!assign (resid    8 and  name HN   )(resid    5 and  name HG12 ) 4.0 2.2 1.5 !W+
!assign (resid    8 and  name HN   )(resid    5 and  name HG2# ) 4.0 2.2 2.0 !Wm
!assign (resid    8 and  name HN   )(resid    5 and  name HD1# ) 4.0 2.2 1.0 !W
!assign (resid    9 and  name HN   )(resid    6 and  name HB1  ) 4.0 2.2 1.0 !W
!assign (resid    9 and  name HN   )(resid    6 and  name HB2  ) 4.0 2.2 1.5 !W+
!assign (resid   10 and  name HN   )(resid    7 and  name HB#  ) 4.0 2.2 1.5 !W+
!assign (resid   10 and  name HN   )(resid    7 and  name HG#  ) 4.0 2.2 2.0 !Wm
!assign (resid   10 and  name HN   )(resid    7 and  name HD#  ) 4.0 2.2 1.0 !W
!assign (resid   11 and  name HN   )(resid    8 and  name HB#  ) 4.0 2.2 1.0 !W
!assign (resid   14 and  name HN   )(resid   11 and  name HB#  ) 4.0 2.2 1.0 !W
!assign (resid   16 and  name HN   )(resid   13 and  name HB#  ) 4.0 2.2 1.5 !W+
!assign (resid   17 and  name HN   )(resid   14 and  name HB#  ) 4.0 2.2 1.0 !W
!assign (resid   17 and  name HN   )(resid   14 and  name HG#  ) 4.0 2.2 1.5 !W+
!assign (resid   17 and  name HN   )(resid   14 and  name HD1  ) 4.0 2.2 1.0 !W
!assign (resid   17 and  name HN   )(resid   14 and  name HD2  ) 4.0 2.2 1.0 !W
assign (resid   18 and  name HN   )(resid   15 and  name HB   ) 4.0 2.2 0.5 !W-
assign (resid   18 and  name HN   )(resid   15 and  name HG2# ) 4.0 2.2 1.0 !W
!assign (resid   19 and  name HN   )(resid   16 and  name HB   ) 4.0 2.2 1.0 !W
!assign (resid   19 and  name HN   )(resid   16 and  name HG1# ) 4.0 2.2 1.0 !W
!assign (resid   19 and  name HN   )(resid   16 and  name HG2# ) 4.0 2.2 1.0 !W
!assign (resid   20 and  name HN   )(resid   17 and  name HB1  ) 4.0 2.2 1.0 !W
!assign (resid   20 and  name HN   )(resid   17 and  name HB2  ) 4.0 2.2 1.0 !W

! Other inter-residual NOEs
!assign (resid    9 and  name HA   )(resid   12 and  name HB   ) 4.0 2.2 1.0 !W
!assign (resid    9 and  name HA   )(resid    5 and  name HB   ) 4.0 2.2 2.0 !Wm
!assign (resid    9 and  name HA   )(resid    5 and  name HG12 ) 4.0 2.2 2.0 !Wm
!assign (resid   10 and  name HA   )(resid   13 and  name HB#  ) 4.0 2.2 1.0 !W
!assign (resid    8 and  name HA   )(resid    5 and  name HB   ) 4.0 2.2 1.5 !W+
!assign (resid    8 and  name HA   )(resid    9 and  name HB   ) 4.0 2.2 1.5 !W+
!assign (resid   17 and  name HA   )(resid   20 and  name HB#  ) 4.0 2.2 1.0 !W
!assign (resid   21 and  name HA   )(resid   20 and  name HB   ) 4.0 2.2 1.0 !W

! Intra-residual NOEs
assign (resid    2 and  name HN   )(resid    2 and  name HB1  ) 3.0 1.2 1.0 !M+
assign (resid    2 and  name HD#  )(resid    2 and  name HA   ) 2.5 0.7 0.7 !S+
assign (resid    2 and  name HD#  )(resid    2 and  name HB1  ) 2.5 0.7 0.7 !S+
assign (resid    2 and  name HD#  )(resid    2 and  name HB2  ) 2.5 0.7 0.7 !S+
assign (resid    2 and  name HZ   )(resid    2 and  name HB1  ) 4.0 2.2 2.0 !Wm
assign (resid    2 and  name HZ   )(resid    2 and  name HB2  ) 4.0 2.2 2.0 !Wm
assign (resid    3 and  name HN   )(resid    3 and  name HB1  ) 3.0 1.2 0.5 !M
assign (resid    3 and  name HN   )(resid    3 and  name HB2  ) 3.0 1.2 0.5 !M
assign (resid    3 and  name HD2  )(resid    3 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid    3 and  name HD2  )(resid    3 and  name HB1  ) 4.0 2.2 1.0 !W
assign (resid    4 and  name HN   )(resid    4 and  name HB1  ) 3.0 1.2 0.5 !M
assign (resid    4 and  name HN   )(resid    4 and  name HB2  ) 3.0 1.2 0.5 !M
assign (resid    4 and  name HN   )(resid    4 and  name HD2  ) 3.0 1.2 0.5 !M
assign (resid    4 and  name HD2  )(resid    4 and  name HA   ) 3.0 1.2 1.0 !M+
assign (resid    4 and  name HD2  )(resid    4 and  name HB1  ) 4.0 2.2 1.0 !W
assign (resid    4 and  name HD2  )(resid    4 and  name HB2  ) 4.0 2.2 1.0 !W
assign (resid    5 and  name HN   )(resid    5 and  name HB   ) 2.5 0.7 1.2 !Sm
assign (resid    5 and  name HN   )(resid    5 and  name HG11 ) 4.0 2.2 1.0 !W
assign (resid    5 and  name HN   )(resid    5 and  name HG12 ) 3.0 1.2 1.0 !M+
assign (resid    5 and  name HN   )(resid    5 and  name HG2# ) 4.0 2.2 1.0 !W
assign (resid    5 and  name HN   )(resid    5 and  name HD1# ) 4.0 2.2 1.0 !W
assign (resid    6 and  name HN   )(resid    6 and  name HB1  ) 3.0 1.2 0.5 !M
assign (resid    6 and  name HN   )(resid    6 and  name HB2  ) 3.0 1.2 0.5 !M
!assign (resid    6 and  name HN   )(resid    6 and  name HE#  ) 4.0 2.2 1.0 !W
assign (resid    6 and  name HN   )(resid    6 and  name HD#  ) 4.0 2.2 1.0 !W
assign (resid    6 and  name HD#  )(resid    6 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid    6 and  name HD#  )(resid    6 and  name HB1  ) 4.0 2.2 1.0 !W
assign (resid    6 and  name HD#  )(resid    6 and  name HB2  ) 2.5 0.7 0.2 !S
!assign (resid    6 and  name HE#  )(resid    6 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid    6 and  name HE#  )(resid    6 and  name HB1  ) 4.0 2.2 1.0 !W
assign (resid    7 and  name HN   )(resid    7 and  name HB1  ) 2.5 0.7 1.2 !Sm
assign (resid    7 and  name HN   )(resid    7 and  name HB2  ) 3.0 1.2 0.5 !M
assign (resid    7 and  name HN   )(resid    7 and  name HG#  ) 3.0 1.2 1.5 !Mm
assign (resid    7 and  name HH#  )(resid    7 and  name HB1  ) 2.5 0.7 0.2 !S
assign (resid    7 and  name HH#  )(resid    7 and  name HB2  ) 3.0 1.2 0.5 !M
assign (resid    7 and  name HH#  )(resid    7 and  name HG#  ) 4.0 2.2 1.0 !W
assign (resid    7 and  name HH#  )(resid    7 and  name HD#  ) 4.0 2.2 1.0 !W
assign (resid    9 and  name HN   )(resid    9 and  name HB   ) 3.0 1.2 0.5 !M 
assign (resid    9 and  name HN   )(resid    9 and  name HG1# ) 4.0 2.2 1.0 !W
assign (resid    9 and  name HN   )(resid    9 and  name HG2# ) 4.0 2.2 1.0 !W
assign (resid    9 and  name HN   )(resid    9 and  name HD1# ) 4.0 2.2 1.0 !W
assign (resid   10 and  name HN   )(resid   10 and  name HB   ) 3.0 1.2 0.5 !M 
assign (resid   10 and  name HN   )(resid   10 and  name HG#  ) 4.0 2.2 1.0 !W 
assign (resid   11 and  name HN   )(resid   11 and  name HB#  ) 3.0 1.2 0.5 !M
assign (resid   11 and  name HN   )(resid   11 and  name HD2  ) 3.0 1.2 0.5 !M
assign (resid   11 and  name HD2  )(resid   11 and  name HA   ) 3.0 1.2 1.0 !M+
assign (resid   11 and  name HD2  )(resid   11 and  name HB#  ) 3.0 1.2 0.5 !M
assign (resid   12 and  name HN   )(resid   12 and  name HB   ) 3.0 1.2 0.5 !M
assign (resid   12 and  name HN   )(resid   12 and  name HG1# ) 4.0 2.2 1.0 !W
assign (resid   12 and  name HN   )(resid   12 and  name HG2# ) 4.0 2.2 1.0 !W
assign (resid   13 and  name NH   )(resid   13 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid   14 and  name HN   )(resid   14 and  name HB1  ) 3.0 1.2 0.5 !M
assign (resid   14 and  name HN   )(resid   14 and  name HB2  ) 3.0 1.2 0.5 !M
assign (resid   14 and  name HN   )(resid   14 and  name HG#  ) 4.0 2.2 1.0 !W
assign (resid   14 and  name HN   )(resid   14 and  name HD#  ) 4.0 2.2 1.0 !W
assign (resid   15 and  name HN   )(resid   15 and  name HB   ) 2.5 0.7 0.2 !S
assign (resid   15 and  name HN   )(resid   15 and  name HG2# ) 4.0 2.2 1.0 !W
assign (resid   16 and  name HN   )(resid   16 and  name HB   ) 3.0 1.2 0.5 !M
assign (resid   16 and  name HN   )(resid   16 and  name HG1# ) 4.0 2.2 1.0 !W
assign (resid   16 and  name HN   )(resid   16 and  name HG2# ) 4.0 2.2 1.0 !W
assign (resid   16 and  name HN   )(resid   16 and  name HD1# ) 4.0 2.2 1.0 !W
assign (resid   17 and  name HN   )(resid   17 and  name HB1  ) 3.0 1.2 0.5 !M
assign (resid   17 and  name HN   )(resid   17 and  name HB2  ) 2.5 0.7 0.2 !S
assign (resid   18 and  name HN   )(resid   18 and  name HB1  ) 2.5 0.7 0.2 !S
assign (resid   18 and  name HN   )(resid   18 and  name HB2  ) 3.0 1.2 0.5 !M
assign (resid   18 and  name HN   )(resid   18 and  name HG#  ) 4.0 2.2 1.0 !W
assign (resid   18 and  name HH#  )(resid   18 and  name HB1  ) 4.0 2.2 1.0 !W
assign (resid   19 and  name HN   )(resid   19 and  name HB#  ) 4.0 2.2 1.0 !W
assign (resid   19 and  name HN   )(resid   19 and  name HD#  ) 4.0 2.2 1.0 !W
assign (resid   20 and  name HN   )(resid   20 and  name HB   ) 3.0 1.2 0.5 !M
assign (resid   20 and  name HN   )(resid   20 and  name HG1# ) 4.0 2.2 1.0 !W
assign (resid   20 and  name HN   )(resid   20 and  name HG2# ) 4.0 2.2 1.0 !W
assign (resid   21 and  name HN   )(resid   21 and  name HB   ) 2.5 0.7 0.2 !S
assign (resid   21 and  name HN   )(resid   21 and  name HG2# ) 4.0 2.2 1.0 !W

assign (resid    2 and  name HA   )(resid    2 and  name HB1  ) 3.0 1.2 1.0 !M+
assign (resid    2 and  name HA   )(resid    2 and  name HB2  ) 3.0 1.2 1.0 !M+
assign (resid    3 and  name HA   )(resid    3 and  name HB1  ) 3.0 1.2 1.0 !M+
assign (resid    3 and  name HA   )(resid    3 and  name HB2  ) 3.0 1.2 1.0 !M+
assign (resid    4 and  name HA   )(resid    4 and  name HB1  ) 3.0 1.2 0.5 !M 
assign (resid    4 and  name HA   )(resid    4 and  name HB2  ) 3.0 1.2 0.5 !M
assign (resid    5 and  name HA   )(resid    5 and  name HG2# ) 4.0 2.2 1.0 !W
assign (resid    5 and  name HA   )(resid    5 and  name HD1# ) 4.0 2.2 1.0 !W
assign (resid    5 and  name HB   )(resid    5 and  name HG11 ) 2.5 0.7 0.7 !S+
assign (resid    5 and  name HB   )(resid    5 and  name HG12 ) 3.0 1.2 0.5 !M
assign (resid    5 and  name HB   )(resid    5 and  name HG2# ) 4.0 2.2 1.0 !W
assign (resid    5 and  name HB   )(resid    5 and  name HD1# ) 4.0 2.2 1.0 !W
assign (resid    5 and  name HG11 )(resid    5 and  name HD1# ) 4.0 2.2 1.0 !W
assign (resid    5 and  name HG12 )(resid    5 and  name HG2# ) 4.0 2.2 1.0 !W
assign (resid    5 and  name HG12 )(resid    5 and  name HD1# ) 4.0 2.2 1.0 !W
assign (resid    6 and  name HA   )(resid    6 and  name HB1  ) 3.0 1.2 0.5 !M
assign (resid    6 and  name HA   )(resid    6 and  name HB2  ) 3.0 1.2 0.5 !M
assign (resid    7 and  name HA   )(resid    7 and  name HB1  ) 2.5 0.7 0.2 !S
assign (resid    7 and  name HA   )(resid    7 and  name HG#  ) 4.0 2.2 1.0 !W
assign (resid    7 and  name HD#  )(resid    7 and  name HB1  ) 2.5 0.7 0.7 !S
assign (resid    7 and  name HD#  )(resid    7 and  name HB2  ) 3.0 1.2 0.5 !M
assign (resid    7 and  name HD#  )(resid    7 and  name HG#  ) 4.0 2.2 1.0 !W
!assign (resid    8 and  name HA1  )(resid    8 and  name HA2  ) 3.0 1.2 0.5 !M
assign (resid    9 and  name HA   )(resid    9 and  name HG1# ) 4.0 2.2 1.0 !W
assign (resid    9 and  name HA   )(resid    9 and  name HG2# ) 4.0 2.2 1.0 !W
assign (resid    9 and  name HA   )(resid    9 and  name HD1# ) 4.0 2.2 1.0 !W
assign (resid    9 and  name HB   )(resid    9 and  name HG1# ) 4.0 2.2 1.0 !W
assign (resid    9 and  name HB   )(resid    9 and  name HG2# ) 4.0 2.2 1.0 !W
assign (resid    9 and  name HB   )(resid    9 and  name HD1# ) 4.0 2.2 1.0 !W
assign (resid    9 and  name HG1# )(resid    9 and  name HG2# ) 4.0 2.2 1.0 !W
assign (resid    9 and  name HG1# )(resid    9 and  name HD1# ) 4.0 2.2 1.0 !W
assign (resid   10 and  name HA   )(resid   10 and  name HG#  ) 4.0 2.2 1.0 !W
assign (resid   10 and  name HB   )(resid   10 and  name HG#  ) 4.0 2.2 1.0 !W
assign (resid   11 and  name HA   )(resid   11 and  name HB#  ) 3.0 1.2 0.5 !M
assign (resid   12 and  name HA   )(resid   12 and  name HG1# ) 4.0 2.2 1.0 !W
assign (resid   12 and  name HA   )(resid   12 and  name HG2# ) 4.0 2.2 1.0 !W
assign (resid   12 and  name HB   )(resid   12 and  name HG1# ) 4.0 2.2 1.0 !W
assign (resid   12 and  name HB   )(resid   12 and  name HG2# ) 4.0 2.2 1.0 !W
assign (resid   14 and  name HE2  )(resid   14 and  name HB#  ) 3.0 1.2 0.5 !M
assign (resid   14 and  name HE2  )(resid   14 and  name HD#  ) 2.5 0.7 0.2 !S
assign (resid   14 and  name HE2  )(resid   14 and  name HG#  ) 3.0 1.2 0.5 !M
assign (resid   17 and  name HA   )(resid   17 and  name HB1  ) 4.0 2.2 1.0 !W
assign (resid   17 and  name HA   )(resid   17 and  name HB2  ) 3.0 1.2 0.5 !M
assign (resid   18 and  name HD#  )(resid   18 and  name HB1  ) 3.0 1.2 0.5 !M
assign (resid   18 and  name HD#  )(resid   18 and  name HB2  ) 3.0 1.2 0.5 !M
assign (resid   18 and  name HD#  )(resid   18 and  name HG#  ) 3.0 1.2 0.5 !M
assign (resid   20 and  name HA   )(resid   20 and  name HG1# ) 3.0 1.2 0.5 !M
assign (resid   20 and  name HA   )(resid   20 and  name HG2# ) 4.0 2.2 1.0 !W


set message=on echo=on end



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   PHE   1           1HT      PHE   1   7.022   4.953  -6.312
    2    H2   PHE   1           2HT      PHE   1   7.267   3.324  -6.730
    3    H3   PHE   1           3HT      PHE   1   7.611   3.860  -5.154
    4    HA   PHE   1           HA       PHE   1   5.038   3.194  -6.371
    5    HB2  PHE   1           2HB      PHE   1   6.182   3.164  -3.559
    6    HB3  PHE   1           1HB      PHE   1   4.743   2.308  -4.112
    7    HD1  PHE   1           HD1      PHE   1   5.925   1.584  -6.885
    8    HD2  PHE   1           HD2      PHE   1   7.409   1.179  -2.874
    9    HE1  PHE   1           HE1      PHE   1   7.334  -0.327  -7.599
   10    HE2  PHE   1           HE2      PHE   1   8.817  -0.733  -3.589
   11    HZ   PHE   1           HZ       PHE   1   8.781  -1.485  -5.952
   12    H    PHE   2           H        PHE   2   3.072   4.108  -5.361
   13    HA   PHE   2           HA       PHE   2   3.206   7.006  -5.098
   14    HB2  PHE   2           2HB      PHE   2   1.004   4.947  -4.743
   15    HB3  PHE   2           1HB      PHE   2   0.738   6.689  -4.795
   16    HD1  PHE   2           HD1      PHE   2   2.161   7.829  -6.865
   17    HD2  PHE   2           HD2      PHE   2   0.564   3.843  -6.742
   18    HE1  PHE   2           HE1      PHE   2   2.152   7.756  -9.343
   19    HE2  PHE   2           HE2      PHE   2   0.555   3.771  -9.220
   20    HZ   PHE   2           HZ       PHE   2   1.349   5.727 -10.521
   21    H    HIS   3           H        HIS   3   4.810   6.096  -3.069
   22    HA   HIS   3           HA       HIS   3   3.113   6.298  -0.602
   23    HB2  HIS   3           2HB      HIS   3   4.429   4.190  -1.026
   24    HB3  HIS   3           1HB      HIS   3   5.903   5.157  -0.957
   25    HD1  HIS   3           HD1      HIS   3   3.156   3.780   1.190
   26    HD2  HIS   3           HD2      HIS   3   6.581   6.114   1.651
   27    HE1  HIS   3           HE1      HIS   3   3.588   3.934   3.681
   28    H    HIS   4           H        HIS   4   5.438   7.893  -2.533
   29    HA   HIS   4           HA       HIS   4   6.526   9.490  -0.274
   30    HB2  HIS   4           2HB      HIS   4   7.141   9.075  -3.187
   31    HB3  HIS   4           1HB      HIS   4   7.819  10.454  -2.331
   32    HD1  HIS   4           HD1      HIS   4  10.012   8.743  -3.090
   33    HD2  HIS   4           HD2      HIS   4   7.673   7.809   0.204
   34    HE1  HIS   4           HE1      HIS   4  11.399   7.170  -1.665
   35    H    ILE   5           H        ILE   5   4.307   9.729  -2.985
   36    HA   ILE   5           HA       ILE   5   4.119  12.632  -2.988
   37    HB   ILE   5           HB       ILE   5   2.220  12.140  -4.499
   38   HG12  ILE   5          2HG1      ILE   5   2.469   9.278  -4.598
   39   HG13  ILE   5          1HG1      ILE   5   2.107   9.763  -2.942
   40   HG21  ILE   5          1HG2      ILE   5   4.240  10.066  -5.228
   41   HG22  ILE   5          2HG2      ILE   5   4.809  11.723  -5.024
   42   HG23  ILE   5          3HG2      ILE   5   3.556  11.361  -6.212
   43   HD11  ILE   5          3HD1      ILE   5  -0.047   9.907  -3.606
   44   HD12  ILE   5          1HD1      ILE   5   0.395   9.837  -5.312
   45   HD13  ILE   5          2HD1      ILE   5   0.432  11.377  -4.454
   46    H    PHE   6           H        PHE   6   2.627  10.043  -1.174
   47    HA   PHE   6           HA       PHE   6   0.837  12.058   0.148
   48    HB2  PHE   6           2HB      PHE   6   0.229   9.707  -1.349
   49    HB3  PHE   6           1HB      PHE   6  -0.179   9.380   0.336
   50    HD1  PHE   6           HD2      PHE   6  -1.633  11.061   1.588
   51    HD2  PHE   6           HD1      PHE   6  -1.129  11.123  -2.677
   52    HE1  PHE   6           HE2      PHE   6  -3.674  12.452   1.367
   53    HE2  PHE   6           HE1      PHE   6  -3.170  12.514  -2.899
   54    HZ   PHE   6           HZ       PHE   6  -4.442  13.179  -0.877
   55    H    ARG   7           H        ARG   7   0.202  11.290   2.407
   56    HA   ARG   7           HA       ARG   7   2.443  10.854   4.060
   57    HB2  ARG   7           2HB      ARG   7   0.830  10.808   5.769
   58    HB3  ARG   7           1HB      ARG   7  -0.037  11.622   4.471
   59    HG2  ARG   7           2HG      ARG   7  -1.113   9.524   3.821
   60    HG3  ARG   7           1HG      ARG   7  -0.192   8.647   5.043
   61    HD2  ARG   7           2HD      ARG   7  -1.406   9.574   6.818
   62    HD3  ARG   7           1HD      ARG   7  -1.896  10.993   5.868
   63    HE   ARG   7           HE       ARG   7  -3.084   8.278   5.648
   64   HH11  ARG   7          1HH2      ARG   7  -3.707  11.546   5.682
   65   HH12  ARG   7          2HH2      ARG   7  -4.819  11.542   4.354
   66   HH21  ARG   7          1HH1      ARG   7  -4.149   8.260   3.459
   67   HH22  ARG   7          2HH1      ARG   7  -5.069   9.682   3.095
   68    HA   PRO   8           HA       PRO   8   3.020   6.517   4.133
   69    HB2  PRO   8           2HB      PRO   8   2.793   5.651   6.712
   70    HB3  PRO   8           1HB      PRO   8   4.158   6.630   6.140
   71    HG2  PRO   8           2HG      PRO   8   1.834   7.409   7.779
   72    HG3  PRO   8           1HG      PRO   8   3.477   8.062   7.758
   73    HD2  PRO   8           2HD      PRO   8   1.230   9.215   6.571
   74    HD3  PRO   8           1HD      PRO   8   2.921   9.658   6.260
   75    H    ILE   9           H        ILE   9   0.807   6.410   2.973
   76    HA   ILE   9           HA       ILE   9  -1.474   5.401   4.512
   77    HB   ILE   9           HB       ILE   9  -2.501   5.320   2.279
   78   HG12  ILE   9          2HG1      ILE   9   0.077   6.221   1.037
   79   HG13  ILE   9          1HG1      ILE   9  -0.168   4.498   1.321
   80   HG21  ILE   9          1HG2      ILE   9  -2.233   7.517   3.419
   81   HG22  ILE   9          2HG2      ILE   9  -2.198   7.672   1.662
   82   HG23  ILE   9          3HG2      ILE   9  -0.696   7.740   2.584
   83   HD11  ILE   9          3HD1      ILE   9  -2.516   5.794   0.145
   84   HD12  ILE   9          1HD1      ILE   9  -1.674   4.328  -0.359
   85   HD13  ILE   9          2HD1      ILE   9  -1.086   5.906  -0.882
   86    H    VAL  10           H        VAL  10   0.927   3.742   4.772
   87    HA   VAL  10           HA       VAL  10   0.623   1.410   3.032
   88    HB   VAL  10           HB       VAL  10   2.758   2.261   4.053
   89   HG11  VAL  10          1HG1      VAL  10   2.578   1.037   6.602
   90   HG12  VAL  10          2HG1      VAL  10   1.142   2.048   6.433
   91   HG13  VAL  10          3HG1      VAL  10   2.747   2.757   6.248
   92   HG21  VAL  10          3HG2      VAL  10   1.905  -0.357   3.656
   93   HG22  VAL  10          1HG2      VAL  10   2.606  -0.397   5.274
   94   HG23  VAL  10          2HG2      VAL  10   3.575   0.152   3.906
   95    H    HIS  11           H        HIS  11  -1.346   2.527   5.396
   96    HA   HIS  11           HA       HIS  11  -1.733   0.453   7.260
   97    HB2  HIS  11           2HB      HIS  11  -2.807   2.689   7.251
   98    HB3  HIS  11           1HB      HIS  11  -3.780   2.207   5.863
   99    HD1  HIS  11           HD1      HIS  11  -4.947   2.953   8.733
  100    HD2  HIS  11           HD2      HIS  11  -4.350  -0.912   7.286
  101    HE1  HIS  11           HE1      HIS  11  -6.506   1.447  10.043
  102    H    VAL  12           H        VAL  12  -4.529   0.635   5.216
  103    HA   VAL  12           HA       VAL  12  -4.915  -2.119   5.027
  104    HB   VAL  12           HB       VAL  12  -6.131  -1.419   2.820
  105   HG11  VAL  12          1HG1      VAL  12  -7.979  -0.706   4.129
  106   HG12  VAL  12          2HG1      VAL  12  -6.929  -0.004   5.361
  107   HG13  VAL  12          3HG1      VAL  12  -7.035  -1.757   5.187
  108   HG21  VAL  12          3HG2      VAL  12  -5.970   0.741   2.152
  109   HG22  VAL  12          1HG2      VAL  12  -4.597   0.879   3.251
  110   HG23  VAL  12          2HG2      VAL  12  -6.211   1.333   3.796
  111    H    GLY  13           H        GLY  13  -2.619  -0.152   3.298
  112    HA2  GLY  13           2HA      GLY  13  -2.102  -1.609   0.974
  113    HA3  GLY  13           1HA      GLY  13  -0.809  -0.908   1.960
  114    H    LYS  14           H        LYS  14  -1.294  -2.347   4.326
  115    HA   LYS  14           HA       LYS  14  -0.059  -4.935   3.670
  116    HB2  LYS  14           2HB      LYS  14  -0.826  -3.409   6.169
  117    HB3  LYS  14           1HB      LYS  14  -0.216  -5.061   6.257
  118    HG2  LYS  14           2HG      LYS  14   1.314  -3.090   4.611
  119    HG3  LYS  14           1HG      LYS  14   1.439  -2.976   6.367
  120    HD2  LYS  14           2HD      LYS  14   1.757  -5.629   6.114
  121    HD3  LYS  14           1HD      LYS  14   2.375  -5.135   4.536
  122    HE2  LYS  14           2HE      LYS  14   4.166  -3.956   5.456
  123    HE3  LYS  14           1HE      LYS  14   3.322  -3.678   6.993
  124    HZ1  LYS  14           3HZ      LYS  14   5.112  -5.523   6.871
  125    HZ2  LYS  14           1HZ      LYS  14   3.902  -6.425   6.099
  126    HZ3  LYS  14           2HZ      LYS  14   3.651  -5.843   7.675
  127    H    THR  15           H        THR  15  -3.187  -3.663   4.764
  128    HA   THR  15           HA       THR  15  -4.502  -5.950   5.656
  129    HB   THR  15           HB       THR  15  -5.369  -3.607   3.972
  130    HG1  THR  15           HG1      THR  15  -5.947  -4.465   6.611
  131   HG21  THR  15          3HG2      THR  15  -7.233  -4.709   3.364
  132   HG22  THR  15          1HG2      THR  15  -7.652  -4.832   5.074
  133   HG23  THR  15          2HG2      THR  15  -6.744  -6.128   4.291
  134    H    ILE  16           H        ILE  16  -5.201  -4.898   2.338
  135    HA   ILE  16           HA       ILE  16  -5.971  -7.333   1.250
  136    HB   ILE  16           HB       ILE  16  -6.070  -5.246   0.025
  137   HG12  ILE  16          2HG1      ILE  16  -5.293  -5.964  -2.125
  138   HG13  ILE  16          1HG1      ILE  16  -4.019  -6.948  -1.403
  139   HG21  ILE  16          1HG2      ILE  16  -4.178  -3.950  -0.566
  140   HG22  ILE  16          2HG2      ILE  16  -3.066  -5.277  -0.228
  141   HG23  ILE  16          3HG2      ILE  16  -3.868  -4.438   1.100
  142   HD11  ILE  16          3HD1      ILE  16  -6.988  -7.435  -1.019
  143   HD12  ILE  16          1HD1      ILE  16  -5.672  -8.459  -0.441
  144   HD13  ILE  16          2HD1      ILE  16  -5.974  -8.305  -2.172
  145    H    HIS  17           H        HIS  17  -2.657  -6.057   1.546
  146    HA   HIS  17           HA       HIS  17  -1.255  -8.131   0.265
  147    HB2  HIS  17           2HB      HIS  17  -0.197  -6.084   0.985
  148    HB3  HIS  17           1HB      HIS  17  -0.634  -6.392   2.664
  149    HD1  HIS  17           HD1      HIS  17   2.276  -6.401   0.818
  150    HD2  HIS  17           HD2      HIS  17   0.501  -9.348   3.168
  151    HE1  HIS  17           HE1      HIS  17   4.119  -8.021   1.446
  152    H    ARG  18           H        ARG  18  -2.693  -7.988   3.490
  153    HA   ARG  18           HA       ARG  18  -1.417 -10.378   4.504
  154    HB2  ARG  18           2HB      ARG  18  -2.473  -8.588   5.863
  155    HB3  ARG  18           1HB      ARG  18  -4.048  -9.055   5.218
  156    HG2  ARG  18           2HG      ARG  18  -2.333 -11.165   6.458
  157    HG3  ARG  18           1HG      ARG  18  -3.190 -10.046   7.521
  158    HD2  ARG  18           2HD      ARG  18  -5.108 -10.765   5.609
  159    HD3  ARG  18           1HD      ARG  18  -4.260 -12.279   5.985
  160    HE   ARG  18           HE       ARG  18  -5.171 -12.160   8.157
  161   HH11  ARG  18          1HH1      ARG  18  -6.296  -9.521   6.433
  162   HH12  ARG  18          2HH1      ARG  18  -6.601  -8.522   7.813
  163   HH21  ARG  18          1HH2      ARG  18  -5.065 -10.682  10.049
  164   HH22  ARG  18          2HH2      ARG  18  -5.904  -9.178   9.861
  165    H    LEU  19           H        LEU  19  -4.040  -9.849   2.293
  166    HA   LEU  19           HA       LEU  19  -5.086 -12.597   2.716
  167    HB2  LEU  19           2HB      LEU  19  -5.977 -10.177   1.136
  168    HB3  LEU  19           1HB      LEU  19  -6.817 -11.726   1.061
  169    HG   LEU  19           HG       LEU  19  -6.680 -11.452   3.733
  170   HD11  LEU  19          1HD1      LEU  19  -5.871  -8.906   2.709
  171   HD12  LEU  19          2HD1      LEU  19  -6.118  -9.376   4.392
  172   HD13  LEU  19          3HD1      LEU  19  -7.459  -8.719   3.454
  173   HD21  LEU  19          3HD2      LEU  19  -8.985 -10.726   3.645
  174   HD22  LEU  19          1HD2      LEU  19  -8.701 -11.756   2.241
  175   HD23  LEU  19          2HD2      LEU  19  -8.747 -10.003   2.054
  176    H    VAL  20           H        VAL  20  -3.159 -10.738   0.488
  177    HA   VAL  20           HA       VAL  20  -3.409 -12.583  -1.760
  178    HB   VAL  20           HB       VAL  20  -1.890 -11.110  -2.790
  179   HG11  VAL  20          1HG1      VAL  20  -2.510  -9.156  -0.664
  180   HG12  VAL  20          2HG1      VAL  20  -3.893  -9.983  -1.381
  181   HG13  VAL  20          3HG1      VAL  20  -2.795  -9.053  -2.402
  182   HG21  VAL  20          3HG2      VAL  20  -0.781 -10.495  -0.038
  183   HG22  VAL  20          1HG2      VAL  20  -0.181  -9.822  -1.553
  184   HG23  VAL  20          2HG2      VAL  20  -0.024 -11.549  -1.228
  185    H    THR  21           H        THR  21  -1.155 -12.046   0.905
  186    HA   THR  21           HA       THR  21   0.499 -14.308   0.055
  187    HB   THR  21           HB       THR  21   0.636 -12.274   2.291
  188    HG1  THR  21           HG1      THR  21   2.499 -12.614   0.230
  189   HG21  THR  21          3HG2      THR  21   3.146 -13.465   1.994
  190   HG22  THR  21          1HG2      THR  21   2.014 -14.817   1.982
  191   HG23  THR  21          2HG2      THR  21   2.032 -13.694   3.342
  192    H    GLY  22           HN       GLY  22  -1.664 -13.395   2.716
  193    HA2  GLY  22           2HA      GLY  22  -1.441 -16.171   3.794
  194    HA3  GLY  22           1HA      GLY  22  -2.033 -14.782   4.707
  Start of MODEL    2
    1    H1   PHE   1           1HT      PHE   1  11.286  -2.298  -6.845
    2    H2   PHE   1           2HT      PHE   1  11.557  -3.925  -7.255
    3    H3   PHE   1           3HT      PHE   1  10.615  -3.533  -5.896
    4    HA   PHE   1           HA       PHE   1   9.903  -3.395  -8.751
    5    HB2  PHE   1           2HB      PHE   1   9.024  -4.588  -6.166
    6    HB3  PHE   1           1HB      PHE   1   7.752  -4.168  -7.314
    7    HD1  PHE   1           HD1      PHE   1  11.153  -5.771  -7.325
    8    HD2  PHE   1           HD2      PHE   1   7.145  -5.781  -8.871
    9    HE1  PHE   1           HE1      PHE   1  11.669  -7.804  -8.651
   10    HE2  PHE   1           HE2      PHE   1   7.661  -7.812 -10.196
   11    HZ   PHE   1           HZ       PHE   1   9.922  -8.824 -10.087
   12    H    PHE   2           H        PHE   2   7.837  -2.217  -9.200
   13    HA   PHE   2           HA       PHE   2   7.899   0.481  -8.108
   14    HB2  PHE   2           2HB      PHE   2   6.260  -1.084 -10.093
   15    HB3  PHE   2           1HB      PHE   2   5.758   0.540  -9.619
   16    HD1  PHE   2           HD1      PHE   2   8.346   1.899  -9.225
   17    HD2  PHE   2           HD2      PHE   2   7.104  -0.855 -12.279
   18    HE1  PHE   2           HE1      PHE   2  10.019   2.868 -10.780
   19    HE2  PHE   2           HE2      PHE   2   8.777   0.114 -13.833
   20    HZ   PHE   2           HZ       PHE   2  10.235   1.975 -13.084
   21    H    HIS   3           H        HIS   3   6.513  -2.400  -7.015
   22    HA   HIS   3           HA       HIS   3   4.103  -1.158  -5.831
   23    HB2  HIS   3           2HB      HIS   3   5.297  -3.868  -6.200
   24    HB3  HIS   3           1HB      HIS   3   4.216  -3.659  -4.823
   25    HD1  HIS   3           HD1      HIS   3   2.313  -1.550  -6.229
   26    HD2  HIS   3           HD2      HIS   3   3.451  -5.221  -7.842
   27    HE1  HIS   3           HE1      HIS   3   0.538  -2.167  -7.927
   28    H    HIS   4           H        HIS   4   7.393  -1.803  -4.985
   29    HA   HIS   4           HA       HIS   4   6.867  -1.696  -2.068
   30    HB2  HIS   4           2HB      HIS   4   8.639  -3.047  -3.646
   31    HB3  HIS   4           1HB      HIS   4   9.621  -1.666  -3.158
   32    HD1  HIS   4           HD1      HIS   4   8.303  -1.325  -0.299
   33    HD2  HIS   4           HD2      HIS   4   9.780  -4.899  -1.857
   34    HE1  HIS   4           HE1      HIS   4   8.833  -2.806   1.685
   35    H    ILE   5           H        ILE   5   6.690   0.650  -4.191
   36    HA   ILE   5           HA       ILE   5   8.482   2.517  -2.687
   37    HB   ILE   5           HB       ILE   5   8.053   3.872  -4.920
   38   HG12  ILE   5          2HG1      ILE   5   8.000   1.171  -6.180
   39   HG13  ILE   5          1HG1      ILE   5   6.468   1.797  -5.577
   40   HG21  ILE   5          1HG2      ILE   5   9.917   2.158  -5.910
   41   HG22  ILE   5          2HG2      ILE   5   9.951   1.724  -4.202
   42   HG23  ILE   5          3HG2      ILE   5  10.266   3.387  -4.694
   43   HD11  ILE   5          3HD1      ILE   5   7.121   3.981  -6.821
   44   HD12  ILE   5          1HD1      ILE   5   6.543   2.616  -7.778
   45   HD13  ILE   5          2HD1      ILE   5   8.270   2.959  -7.685
   46    H    PHE   6           H        PHE   6   5.294   2.393  -4.356
   47    HA   PHE   6           HA       PHE   6   4.351   4.412  -2.382
   48    HB2  PHE   6           2HB      PHE   6   3.323   5.591  -4.164
   49    HB3  PHE   6           1HB      PHE   6   4.956   5.247  -4.687
   50    HD1  PHE   6           HD2      PHE   6   3.759   2.102  -5.026
   51    HD2  PHE   6           HD1      PHE   6   2.998   6.003  -6.663
   52    HE1  PHE   6           HE2      PHE   6   2.871   1.066  -7.084
   53    HE2  PHE   6           HE1      PHE   6   2.109   4.957  -8.723
   54    HZ   PHE   6           HZ       PHE   6   2.045   2.489  -8.935
   55    H    ARG   7           H        ARG   7   3.708   2.004  -1.562
   56    HA   ARG   7           HA       ARG   7   0.818   1.798  -2.103
   57    HB2  ARG   7           2HB      ARG   7   2.697   0.246  -3.531
   58    HB3  ARG   7           1HB      ARG   7   1.960  -0.843  -2.355
   59    HG2  ARG   7           2HG      ARG   7  -0.293   0.145  -3.107
   60    HG3  ARG   7           1HG      ARG   7   0.593   0.797  -4.485
   61    HD2  ARG   7           2HD      ARG   7   0.407  -1.213  -5.509
   62    HD3  ARG   7           1HD      ARG   7   1.360  -1.942  -4.202
   63    HE   ARG   7           HE       ARG   7  -0.680  -2.872  -3.478
   64   HH11  ARG   7          1HH2      ARG   7  -1.788  -1.084  -5.936
   65   HH12  ARG   7          2HH2      ARG   7  -3.203  -0.460  -5.157
   66   HH21  ARG   7          1HH1      ARG   7  -2.234  -1.491  -1.990
   67   HH22  ARG   7          2HH1      ARG   7  -3.455  -0.691  -2.922
   68    HA   PRO   8           HA       PRO   8   1.652  -1.413   1.363
   69    HB2  PRO   8           2HB      PRO   8   4.249  -1.639   2.202
   70    HB3  PRO   8           1HB      PRO   8   3.525  -2.723   0.996
   71    HG2  PRO   8           2HG      PRO   8   5.269  -0.339   0.591
   72    HG3  PRO   8           1HG      PRO   8   5.306  -1.913  -0.221
   73    HD2  PRO   8           2HD      PRO   8   4.207   0.261  -1.365
   74    HD3  PRO   8           1HD      PRO   8   3.578  -1.376  -1.640
   75    H    ILE   9           H        ILE   9   3.409   1.558   0.878
   76    HA   ILE   9           HA       ILE   9   4.072   2.428   3.438
   77    HB   ILE   9           HB       ILE   9   4.361   3.572   1.208
   78   HG12  ILE   9          2HG1      ILE   9   3.115   5.208   3.440
   79   HG13  ILE   9          1HG1      ILE   9   4.818   4.769   3.306
   80   HG21  ILE   9          1HG2      ILE   9   1.629   4.750   1.646
   81   HG22  ILE   9          2HG2      ILE   9   1.801   3.239   0.753
   82   HG23  ILE   9          3HG2      ILE   9   2.593   4.703   0.170
   83   HD11  ILE   9          3HD1      ILE   9   5.228   6.435   1.839
   84   HD12  ILE   9          1HD1      ILE   9   3.645   7.074   2.280
   85   HD13  ILE   9          2HD1      ILE   9   3.811   6.027   0.871
   86    H    VAL  10           H        VAL  10   0.835   2.193   2.008
   87    HA   VAL  10           HA       VAL  10  -0.465   3.648   4.188
   88    HB   VAL  10           HB       VAL  10  -1.315   3.626   1.885
   89   HG11  VAL  10          1HG1      VAL  10  -0.841   0.786   2.212
   90   HG12  VAL  10          2HG1      VAL  10  -1.136   1.697   0.731
   91   HG13  VAL  10          3HG1      VAL  10  -2.493   1.081   1.673
   92   HG21  VAL  10          3HG2      VAL  10  -3.662   2.578   2.495
   93   HG22  VAL  10          1HG2      VAL  10  -3.090   4.010   3.354
   94   HG23  VAL  10          2HG2      VAL  10  -2.945   2.417   4.101
   95    H    HIS  11           H        HIS  11  -1.763   2.739   5.829
   96    HA   HIS  11           HA       HIS  11  -0.960   0.439   7.177
   97    HB2  HIS  11           2HB      HIS  11  -2.447   2.193   8.060
   98    HB3  HIS  11           1HB      HIS  11  -3.716   1.683   6.947
   99    HD1  HIS  11           HD1      HIS  11  -3.320   1.483  10.307
  100    HD2  HIS  11           HD2      HIS  11  -3.682  -1.549   7.467
  101    HE1  HIS  11           HE1      HIS  11  -4.129  -0.572  11.550
  102    H    VAL  12           H        VAL  12  -4.037   0.537   5.369
  103    HA   VAL  12           HA       VAL  12  -4.395  -2.241   5.225
  104    HB   VAL  12           HB       VAL  12  -5.606  -1.561   2.994
  105   HG11  VAL  12          1HG1      VAL  12  -6.562  -0.132   5.450
  106   HG12  VAL  12          2HG1      VAL  12  -6.430  -1.892   5.454
  107   HG13  VAL  12          3HG1      VAL  12  -7.483  -1.087   4.287
  108   HG21  VAL  12          3HG2      VAL  12  -4.155   0.781   3.462
  109   HG22  VAL  12          1HG2      VAL  12  -5.783   1.172   4.019
  110   HG23  VAL  12          2HG2      VAL  12  -5.526   0.616   2.365
  111    H    GLY  13           H        GLY  13  -2.100  -0.245   3.554
  112    HA2  GLY  13           2HA      GLY  13  -1.532  -1.663   1.210
  113    HA3  GLY  13           1HA      GLY  13  -0.263  -0.961   2.227
  114    H    LYS  14           H        LYS  14  -0.777  -2.436   4.564
  115    HA   LYS  14           HA       LYS  14   0.514  -4.994   3.908
  116    HB2  LYS  14           2HB      LYS  14  -0.416  -3.582   6.427
  117    HB3  LYS  14           1HB      LYS  14   0.316  -5.187   6.462
  118    HG2  LYS  14           2HG      LYS  14   2.371  -4.290   6.311
  119    HG3  LYS  14           1HG      LYS  14   1.921  -3.455   4.823
  120    HD2  LYS  14           2HD      LYS  14   0.954  -2.350   7.435
  121    HD3  LYS  14           1HD      LYS  14   2.636  -2.079   6.974
  122    HE2  LYS  14           2HE      LYS  14   1.243  -1.512   4.630
  123    HE3  LYS  14           1HE      LYS  14   0.211  -0.835   5.905
  124    HZ1  LYS  14           3HZ      LYS  14   2.242   0.519   5.028
  125    HZ2  LYS  14           1HZ      LYS  14   3.122  -0.481   6.080
  126    HZ3  LYS  14           2HZ      LYS  14   1.878   0.505   6.687
  127    H    THR  15           H        THR  15  -2.652  -3.768   4.913
  128    HA   THR  15           HA       THR  15  -3.958  -6.168   5.625
  129    HB   THR  15           HB       THR  15  -4.863  -3.671   4.190
  130    HG1  THR  15           HG1      THR  15  -5.201  -4.681   6.820
  131   HG21  THR  15          3HG2      THR  15  -6.798  -4.689   3.691
  132   HG22  THR  15          1HG2      THR  15  -7.048  -5.009   5.408
  133   HG23  THR  15          2HG2      THR  15  -6.208  -6.193   4.402
  134    H    ILE  16           H        ILE  16  -4.444  -4.625   2.446
  135    HA   ILE  16           HA       ILE  16  -5.429  -6.819   1.042
  136    HB   ILE  16           HB       ILE  16  -4.703  -5.591  -0.929
  137   HG12  ILE  16          2HG1      ILE  16  -3.152  -3.482   0.124
  138   HG13  ILE  16          1HG1      ILE  16  -2.469  -4.962   0.796
  139   HG21  ILE  16          1HG2      ILE  16  -5.002  -3.309   0.943
  140   HG22  ILE  16          2HG2      ILE  16  -6.255  -4.546   1.035
  141   HG23  ILE  16          3HG2      ILE  16  -5.943  -3.718  -0.492
  142   HD11  ILE  16          3HD1      ILE  16  -3.106  -4.666  -2.144
  143   HD12  ILE  16          1HD1      ILE  16  -2.111  -5.899  -1.369
  144   HD13  ILE  16          2HD1      ILE  16  -1.535  -4.235  -1.468
  145    H    HIS  17           H        HIS  17  -2.146  -6.211   2.094
  146    HA   HIS  17           HA       HIS  17  -0.918  -8.210   0.344
  147    HB2  HIS  17           2HB      HIS  17   0.377  -6.329   1.150
  148    HB3  HIS  17           1HB      HIS  17  -0.044  -6.698   2.822
  149    HD1  HIS  17           HD1      HIS  17   2.780  -6.937   0.851
  150    HD2  HIS  17           HD2      HIS  17   0.745  -9.795   3.107
  151    HE1  HIS  17           HE1      HIS  17   4.432  -8.802   1.301
  152    H    ARG  18           H        ARG  18  -2.161  -8.039   3.659
  153    HA   ARG  18           HA       ARG  18  -1.197 -10.617   4.503
  154    HB2  ARG  18           2HB      ARG  18  -2.018  -8.808   5.986
  155    HB3  ARG  18           1HB      ARG  18  -3.644  -9.021   5.329
  156    HG2  ARG  18           2HG      ARG  18  -2.159 -11.365   6.481
  157    HG3  ARG  18           1HG      ARG  18  -3.022 -10.250   7.546
  158    HD2  ARG  18           2HD      ARG  18  -4.768 -10.831   5.363
  159    HD3  ARG  18           1HD      ARG  18  -4.125 -12.375   5.962
  160    HE   ARG  18           HE       ARG  18  -4.858 -10.580   8.131
  161   HH11  ARG  18          1HH2      ARG  18  -5.441 -13.519   6.591
  162   HH12  ARG  18          2HH2      ARG  18  -7.051 -13.712   7.198
  163   HH21  ARG  18          1HH1      ARG  18  -7.188 -10.545   8.603
  164   HH22  ARG  18          2HH1      ARG  18  -8.040 -12.028   8.338
  165    H    LEU  19           H        LEU  19  -3.695  -9.653   2.335
  166    HA   LEU  19           HA       LEU  19  -5.306 -12.085   2.645
  167    HB2  LEU  19           2HB      LEU  19  -5.333  -9.521   1.213
  168    HB3  LEU  19           1HB      LEU  19  -6.040 -10.856   0.300
  169    HG   LEU  19           HG       LEU  19  -6.894 -10.961   3.058
  170   HD11  LEU  19          1HD1      LEU  19  -7.121  -8.758   3.500
  171   HD12  LEU  19          2HD1      LEU  19  -8.388  -8.745   2.275
  172   HD13  LEU  19          3HD1      LEU  19  -6.734  -8.314   1.838
  173   HD21  LEU  19          3HD2      LEU  19  -9.027 -10.304   1.319
  174   HD22  LEU  19          1HD2      LEU  19  -8.559 -11.913   1.872
  175   HD23  LEU  19          2HD2      LEU  19  -7.900 -11.270   0.367
  176    H    VAL  20           H        VAL  20  -3.456 -10.710  -0.058
  177    HA   VAL  20           HA       VAL  20  -3.435 -12.830  -1.853
  178    HB   VAL  20           HB       VAL  20  -1.533 -11.806  -2.779
  179   HG11  VAL  20          1HG1      VAL  20  -1.924  -9.545  -2.643
  180   HG12  VAL  20          2HG1      VAL  20  -2.019  -9.572  -0.880
  181   HG13  VAL  20          3HG1      VAL  20  -3.383 -10.135  -1.843
  182   HG21  VAL  20          3HG2      VAL  20   0.257 -10.752  -1.418
  183   HG22  VAL  20          1HG2      VAL  20   0.022 -12.445  -0.980
  184   HG23  VAL  20          2HG2      VAL  20  -0.629 -11.168   0.048
  185    H    THR  21           H        THR  21  -1.503 -12.451   1.075
  186    HA   THR  21           HA       THR  21  -0.110 -14.972   0.690
  187    HB   THR  21           HB       THR  21  -0.300 -13.072   3.043
  188    HG1  THR  21           HG1      THR  21   1.678 -12.299   2.162
  189   HG21  THR  21          3HG2      THR  21   0.640 -15.552   3.227
  190   HG22  THR  21          1HG2      THR  21   1.452 -14.208   4.029
  191   HG23  THR  21          2HG2      THR  21   2.062 -14.816   2.490
  192    H    GLY  22           HN       GLY  22  -2.273 -13.737   3.248
  193    HA2  GLY  22           2HA      GLY  22  -3.081 -16.556   3.815
  194    HA3  GLY  22           1HA      GLY  22  -3.207 -15.224   4.967
  Start of MODEL    3
    1    H1   PHE   1           1HT      PHE   1   6.770  10.258  11.958
    2    H2   PHE   1           2HT      PHE   1   7.878   9.010  12.272
    3    H3   PHE   1           3HT      PHE   1   6.559   8.738  11.236
    4    HA   PHE   1           HA       PHE   1   7.457  10.295   9.618
    5    HB2  PHE   1           2HB      PHE   1   9.072  10.856  12.021
    6    HB3  PHE   1           1HB      PHE   1  10.003  10.828  10.523
    7    HD1  PHE   1           HD2      PHE   1   6.866  12.236  12.004
    8    HD2  PHE   1           HD1      PHE   1   9.992  12.690   9.094
    9    HE1  PHE   1           HE2      PHE   1   5.991  14.481  11.416
   10    HE2  PHE   1           HE1      PHE   1   9.118  14.935   8.506
   11    HZ   PHE   1           HZ       PHE   1   7.118  15.830   9.667
   12    H    PHE   2           H        PHE   2   9.912   8.511  11.533
   13    HA   PHE   2           HA       PHE   2  10.927   7.169   9.138
   14    HB2  PHE   2           2HB      PHE   2  11.804   7.852  11.721
   15    HB3  PHE   2           1HB      PHE   2  11.792   6.089  11.689
   16    HD1  PHE   2           HD2      PHE   2  12.368   8.478   8.878
   17    HD2  PHE   2           HD1      PHE   2  14.070   5.496  11.458
   18    HE1  PHE   2           HE2      PHE   2  14.443   8.488   7.521
   19    HE2  PHE   2           HE1      PHE   2  16.145   5.505  10.101
   20    HZ   PHE   2           HZ       PHE   2  16.331   7.001   8.132
   21    H    HIS   3           H        HIS   3   8.103   6.644  10.587
   22    HA   HIS   3           HA       HIS   3   8.358   3.688  10.867
   23    HB2  HIS   3           2HB      HIS   3   7.287   5.097  12.632
   24    HB3  HIS   3           1HB      HIS   3   6.067   5.590  11.458
   25    HD1  HIS   3           HD1      HIS   3   6.864   2.200  10.691
   26    HD2  HIS   3           HD2      HIS   3   4.495   4.024  13.595
   27    HE1  HIS   3           HE1      HIS   3   5.280   0.419  11.545
   28    H    HIS   4           H        HIS   4   7.007   6.156   8.778
   29    HA   HIS   4           HA       HIS   4   5.314   4.201   7.330
   30    HB2  HIS   4           2HB      HIS   4   5.805   7.178   7.268
   31    HB3  HIS   4           1HB      HIS   4   4.873   6.386   5.998
   32    HD1  HIS   4           HD1      HIS   4   3.477   4.261   7.867
   33    HD2  HIS   4           HD2      HIS   4   3.622   8.363   8.599
   34    HE1  HIS   4           HE1      HIS   4   1.537   4.782   9.408
   35    H    ILE   5           H        ILE   5   8.418   5.779   7.051
   36    HA   ILE   5           HA       ILE   5   8.724   5.271   4.179
   37    HB   ILE   5           HB       ILE   5  11.075   6.045   4.741
   38   HG12  ILE   5          2HG1      ILE   5  10.321   7.000   7.386
   39   HG13  ILE   5          1HG1      ILE   5  10.318   5.239   7.309
   40   HG21  ILE   5          1HG2      ILE   5   9.719   7.810   4.063
   41   HG22  ILE   5          2HG2      ILE   5  10.148   8.331   5.692
   42   HG23  ILE   5          3HG2      ILE   5   8.581   7.581   5.391
   43   HD11  ILE   5          3HD1      ILE   5  12.601   5.358   6.250
   44   HD12  ILE   5          1HD1      ILE   5  12.550   5.942   7.913
   45   HD13  ILE   5          2HD1      ILE   5  12.601   7.090   6.576
   46    H    PHE   6           H        PHE   6   9.453   3.596   7.171
   47    HA   PHE   6           HA       PHE   6  11.410   1.779   5.996
   48    HB2  PHE   6           2HB      PHE   6  10.440   2.553   8.544
   49    HB3  PHE   6           1HB      PHE   6  10.167   0.815   8.407
   50    HD1  PHE   6           HD1      PHE   6  12.749   3.476   8.049
   51    HD2  PHE   6           HD2      PHE   6  11.972  -0.728   8.494
   52    HE1  PHE   6           HE1      PHE   6  15.169   3.066   8.415
   53    HE2  PHE   6           HE2      PHE   6  14.392  -1.135   8.861
   54    HZ   PHE   6           HZ       PHE   6  15.989   0.761   8.821
   55    H    ARG   7           H        ARG   7  10.401  -0.628   7.224
   56    HA   ARG   7           HA       ARG   7   9.119  -1.931   5.116
   57    HB2  ARG   7           2HB      ARG   7   9.879  -2.394   7.830
   58    HB3  ARG   7           1HB      ARG   7   8.256  -3.048   7.602
   59    HG2  ARG   7           2HG      ARG   7   9.038  -4.269   5.600
   60    HG3  ARG   7           1HG      ARG   7  10.668  -3.643   5.869
   61    HD2  ARG   7           2HD      ARG   7  10.976  -4.922   7.822
   62    HD3  ARG   7           1HD      ARG   7   9.231  -5.147   8.058
   63    HE   ARG   7           HE       ARG   7  10.873  -6.855   6.465
   64   HH11  ARG   7          1HH1      ARG   7   7.796  -6.731   7.383
   65   HH12  ARG   7          2HH1      ARG   7   7.068  -7.113   5.858
   66   HH21  ARG   7          1HH2      ARG   7   9.989  -6.654   4.048
   67   HH22  ARG   7          2HH2      ARG   7   8.309  -7.069   3.969
   68    HA   PRO   8           HA       PRO   8   4.765  -1.885   7.236
   69    HB2  PRO   8           2HB      PRO   8   4.483   0.071   9.127
   70    HB3  PRO   8           1HB      PRO   8   4.904  -1.607   9.526
   71    HG2  PRO   8           2HG      PRO   8   6.664   0.782   9.298
   72    HG3  PRO   8           1HG      PRO   8   6.706  -0.545  10.472
   73    HD2  PRO   8           2HD      PRO   8   8.400  -0.385   8.356
   74    HD3  PRO   8           1HD      PRO   8   7.879  -1.925   9.072
   75    H    ILE   9           H        ILE   9   4.399  -0.961   5.141
   76    HA   ILE   9           HA       ILE   9   4.834   1.897   4.662
   77    HB   ILE   9           HB       ILE   9   3.192  -0.041   3.018
   78   HG12  ILE   9          2HG1      ILE   9   6.203   0.155   3.306
   79   HG13  ILE   9          1HG1      ILE   9   5.194  -1.279   3.497
   80   HG21  ILE   9          1HG2      ILE   9   5.154   1.936   1.929
   81   HG22  ILE   9          2HG2      ILE   9   3.640   2.555   2.587
   82   HG23  ILE   9          3HG2      ILE   9   3.616   1.398   1.256
   83   HD11  ILE   9          3HD1      ILE   9   4.613  -0.297   0.924
   84   HD12  ILE   9          1HD1      ILE   9   5.552  -1.736   1.322
   85   HD13  ILE   9          2HD1      ILE   9   6.366  -0.189   1.083
   86    H    VAL  10           H        VAL  10   2.029   1.574   3.140
   87    HA   VAL  10           HA       VAL  10   0.528   3.156   5.038
   88    HB   VAL  10           HB       VAL  10   0.215   3.448   2.671
   89   HG11  VAL  10          1HG1      VAL  10   0.532   0.634   2.624
   90   HG12  VAL  10          2HG1      VAL  10   0.360   1.715   1.242
   91   HG13  VAL  10          3HG1      VAL  10  -1.067   0.967   1.960
   92   HG21  VAL  10          3HG2      VAL  10  -1.841   3.807   3.836
   93   HG22  VAL  10          1HG2      VAL  10  -2.119   2.077   4.025
   94   HG23  VAL  10          2HG2      VAL  10  -2.259   2.824   2.433
   95    H    HIS  11           H        HIS  11  -1.479   2.526   6.079
   96    HA   HIS  11           HA       HIS  11  -1.456   0.145   7.554
   97    HB2  HIS  11           2HB      HIS  11  -2.804   2.145   8.038
   98    HB3  HIS  11           1HB      HIS  11  -3.800   1.827   6.618
   99    HD1  HIS  11           HD1      HIS  11  -4.266   1.594   9.992
  100    HD2  HIS  11           HD2      HIS  11  -4.498  -1.322   7.021
  101    HE1  HIS  11           HE1      HIS  11  -5.701  -0.271  10.928
  102    H    VAL  12           H        VAL  12  -4.192   0.537   5.345
  103    HA   VAL  12           HA       VAL  12  -4.654  -2.178   4.958
  104    HB   VAL  12           HB       VAL  12  -5.576  -1.313   2.665
  105   HG11  VAL  12          1HG1      VAL  12  -7.538  -0.599   3.799
  106   HG12  VAL  12          2HG1      VAL  12  -6.614  -0.014   5.182
  107   HG13  VAL  12          3HG1      VAL  12  -6.759  -1.749   4.889
  108   HG21  VAL  12          3HG2      VAL  12  -4.029   0.896   3.419
  109   HG22  VAL  12          1HG2      VAL  12  -5.685   1.379   3.785
  110   HG23  VAL  12          2HG2      VAL  12  -5.255   0.870   2.152
  111    H    GLY  13           H        GLY  13  -2.088  -0.252   3.606
  112    HA2  GLY  13           2HA      GLY  13  -1.385  -1.616   1.271
  113    HA3  GLY  13           1HA      GLY  13  -0.178  -1.039   2.429
  114    H    LYS  14           H        LYS  14  -0.983  -2.569   4.638
  115    HA   LYS  14           HA       LYS  14   0.205  -5.175   3.982
  116    HB2  LYS  14           2HB      LYS  14  -0.477  -3.517   6.337
  117    HB3  LYS  14           1HB      LYS  14  -0.646  -5.253   6.598
  118    HG2  LYS  14           2HG      LYS  14   1.583  -5.376   6.863
  119    HG3  LYS  14           1HG      LYS  14   1.763  -4.916   5.169
  120    HD2  LYS  14           2HD      LYS  14   1.226  -2.746   7.151
  121    HD3  LYS  14           1HD      LYS  14   2.843  -3.450   7.118
  122    HE2  LYS  14           2HE      LYS  14   1.407  -2.354   4.673
  123    HE3  LYS  14           1HE      LYS  14   2.659  -1.488   5.585
  124    HZ1  LYS  14           3HZ      LYS  14   3.978  -2.582   4.103
  125    HZ2  LYS  14           1HZ      LYS  14   2.899  -3.877   3.911
  126    HZ3  LYS  14           2HZ      LYS  14   3.879  -3.790   5.296
  127    H    THR  15           H        THR  15  -2.961  -3.796   4.773
  128    HA   THR  15           HA       THR  15  -4.475  -6.085   5.339
  129    HB   THR  15           HB       THR  15  -5.066  -3.557   3.806
  130    HG1  THR  15           HG1      THR  15  -4.749  -3.983   6.264
  131   HG21  THR  15          3HG2      THR  15  -6.934  -4.504   2.991
  132   HG22  THR  15          1HG2      THR  15  -7.485  -4.720   4.653
  133   HG23  THR  15          2HG2      THR  15  -6.592  -6.010   3.844
  134    H    ILE  16           H        ILE  16  -4.864  -4.675   2.113
  135    HA   ILE  16           HA       ILE  16  -5.641  -6.960   0.746
  136    HB   ILE  16           HB       ILE  16  -4.715  -5.772  -1.248
  137   HG12  ILE  16          2HG1      ILE  16  -3.686  -3.629   0.580
  138   HG13  ILE  16          1HG1      ILE  16  -2.662  -5.027   0.251
  139   HG21  ILE  16          1HG2      ILE  16  -6.393  -4.551   0.846
  140   HG22  ILE  16          2HG2      ILE  16  -6.703  -4.734  -0.880
  141   HG23  ILE  16          3HG2      ILE  16  -5.711  -3.396  -0.301
  142   HD11  ILE  16          3HD1      ILE  16  -2.379  -3.039  -1.331
  143   HD12  ILE  16          1HD1      ILE  16  -3.979  -3.437  -1.956
  144   HD13  ILE  16          2HD1      ILE  16  -2.662  -4.603  -2.095
  145    H    HIS  17           H        HIS  17  -2.405  -6.057   1.793
  146    HA   HIS  17           HA       HIS  17  -0.963  -8.018   0.220
  147    HB2  HIS  17           2HB      HIS  17   0.154  -6.080   1.125
  148    HB3  HIS  17           1HB      HIS  17  -0.403  -6.453   2.754
  149    HD1  HIS  17           HD1      HIS  17   2.609  -6.526   1.081
  150    HD2  HIS  17           HD2      HIS  17   0.549  -9.493   3.161
  151    HE1  HIS  17           HE1      HIS  17   4.327  -8.273   1.722
  152    H    ARG  18           H        ARG  18  -2.564  -8.000   3.366
  153    HA   ARG  18           HA       ARG  18  -1.482 -10.595   4.172
  154    HB2  ARG  18           2HB      ARG  18  -2.123  -8.912   5.805
  155    HB3  ARG  18           1HB      ARG  18  -3.757  -8.838   5.141
  156    HG2  ARG  18           2HG      ARG  18  -2.779 -11.518   5.964
  157    HG3  ARG  18           1HG      ARG  18  -3.123 -10.374   7.263
  158    HD2  ARG  18           2HD      ARG  18  -5.399 -10.021   6.386
  159    HD3  ARG  18           1HD      ARG  18  -5.066 -11.132   5.044
  160    HE   ARG  18           HE       ARG  18  -4.915 -12.960   6.649
  161   HH11  ARG  18          1HH1      ARG  18  -6.856 -10.379   7.510
  162   HH12  ARG  18          2HH1      ARG  18  -6.980 -10.794   9.187
  163   HH21  ARG  18          1HH2      ARG  18  -4.586 -13.297   9.017
  164   HH22  ARG  18          2HH2      ARG  18  -5.694 -12.448  10.041
  165    H    LEU  19           H        LEU  19  -3.939  -9.581   2.026
  166    HA   LEU  19           HA       LEU  19  -5.589 -12.009   2.423
  167    HB2  LEU  19           2HB      LEU  19  -5.962 -10.085   0.157
  168    HB3  LEU  19           1HB      LEU  19  -7.177 -10.874   1.159
  169    HG   LEU  19           HG       LEU  19  -5.465  -8.484   1.846
  170   HD11  LEU  19          1HD1      LEU  19  -7.553  -7.378   2.145
  171   HD12  LEU  19          2HD1      LEU  19  -8.443  -8.900   2.155
  172   HD13  LEU  19          3HD1      LEU  19  -7.728  -8.308   0.656
  173   HD21  LEU  19          3HD2      LEU  19  -6.613 -10.569   3.602
  174   HD22  LEU  19          1HD2      LEU  19  -6.995  -8.912   4.069
  175   HD23  LEU  19          2HD2      LEU  19  -5.312  -9.421   3.919
  176    H    VAL  20           H        VAL  20  -3.180 -10.705   0.266
  177    HA   VAL  20           HA       VAL  20  -3.530 -12.662  -1.861
  178    HB   VAL  20           HB       VAL  20  -1.659 -11.579  -2.800
  179   HG11  VAL  20          1HG1      VAL  20  -2.299  -9.413  -2.700
  180   HG12  VAL  20          2HG1      VAL  20  -2.032  -9.335  -0.958
  181   HG13  VAL  20          3HG1      VAL  20  -3.539  -9.996  -1.589
  182   HG21  VAL  20          3HG2      VAL  20  -0.753 -11.202   0.058
  183   HG22  VAL  20          1HG2      VAL  20   0.015 -10.356  -1.284
  184   HG23  VAL  20          2HG2      VAL  20   0.046 -12.119  -1.218
  185    H    THR  21           H        THR  21  -1.673 -12.412   1.104
  186    HA   THR  21           HA       THR  21  -0.185 -14.864   0.545
  187    HB   THR  21           HB       THR  21  -0.116 -13.679   3.243
  188    HG1  THR  21           HG1      THR  21   0.999 -12.113   1.221
  189   HG21  THR  21          3HG2      THR  21   1.808 -14.842   2.971
  190   HG22  THR  21          1HG2      THR  21   2.367 -13.424   2.084
  191   HG23  THR  21          2HG2      THR  21   1.687 -14.799   1.212
  192    H    GLY  22           HN       GLY  22  -2.562 -13.734   2.950
  193    HA2  GLY  22           2HA      GLY  22  -4.297 -14.978   3.984
  194    HA3  GLY  22           1HA      GLY  22  -3.763 -16.403   3.092
  Start of MODEL    4
    1    H1   PHE   1           1HT      PHE   1  20.358  -0.352  -3.884
    2    H2   PHE   1           2HT      PHE   1  18.840   0.360  -4.150
    3    H3   PHE   1           3HT      PHE   1  18.973  -1.325  -3.980
    4    HA   PHE   1           HA       PHE   1  19.605  -1.103  -1.672
    5    HB2  PHE   1           2HB      PHE   1  20.211   1.518  -2.709
    6    HB3  PHE   1           1HB      PHE   1  19.166   1.678  -1.298
    7    HD1  PHE   1           HD1      PHE   1  19.812   0.472   0.851
    8    HD2  PHE   1           HD2      PHE   1  22.491   0.912  -2.479
    9    HE1  PHE   1           HE1      PHE   1  21.737  -0.029   2.332
   10    HE2  PHE   1           HE2      PHE   1  24.415   0.410  -0.997
   11    HZ   PHE   1           HZ       PHE   1  24.038  -0.060   1.409
   12    H    PHE   2           H        PHE   2  17.142  -0.795  -3.678
   13    HA   PHE   2           HA       PHE   2  15.094   0.458  -2.011
   14    HB2  PHE   2           2HB      PHE   2  15.333  -0.969  -4.621
   15    HB3  PHE   2           1HB      PHE   2  13.736  -0.929  -3.874
   16    HD1  PHE   2           HD2      PHE   2  13.103   1.473  -2.838
   17    HD2  PHE   2           HD1      PHE   2  15.889   0.793  -6.036
   18    HE1  PHE   2           HE2      PHE   2  12.801   3.814  -3.599
   19    HE2  PHE   2           HE1      PHE   2  15.588   3.134  -6.796
   20    HZ   PHE   2           HZ       PHE   2  14.044   4.645  -5.578
   21    H    HIS   3           H        HIS   3  16.279  -1.377  -0.349
   22    HA   HIS   3           HA       HIS   3  14.292  -3.624  -0.271
   23    HB2  HIS   3           2HB      HIS   3  17.225  -3.506  -0.187
   24    HB3  HIS   3           1HB      HIS   3  16.534  -4.453   1.132
   25    HD1  HIS   3           HD1      HIS   3  14.643  -4.301  -2.071
   26    HD2  HIS   3           HD2      HIS   3  17.351  -6.877  -0.222
   27    HE1  HIS   3           HE1      HIS   3  14.569  -6.473  -3.371
   28    H    HIS   4           H        HIS   4  14.923  -0.783   1.148
   29    HA   HIS   4           HA       HIS   4  14.330  -1.779   3.913
   30    HB2  HIS   4           2HB      HIS   4  15.987   0.465   2.776
   31    HB3  HIS   4           1HB      HIS   4  15.366   0.575   4.420
   32    HD1  HIS   4           HD1      HIS   4  15.816  -2.889   3.992
   33    HD2  HIS   4           HD2      HIS   4  18.482   0.263   4.555
   34    HE1  HIS   4           HE1      HIS   4  17.968  -3.916   4.844
   35    H    ILE   5           H        ILE   5  12.755  -0.689   1.357
   36    HA   ILE   5           HA       ILE   5  11.043   1.248   2.884
   37    HB   ILE   5           HB       ILE   5  10.495   1.831   0.333
   38   HG12  ILE   5          2HG1      ILE   5  12.188  -0.088  -0.282
   39   HG13  ILE   5          1HG1      ILE   5  12.200   1.397  -1.201
   40   HG21  ILE   5          1HG2      ILE   5  12.457   2.791   2.293
   41   HG22  ILE   5          2HG2      ILE   5  11.285   3.697   1.337
   42   HG23  ILE   5          3HG2      ILE   5  12.838   3.250   0.633
   43   HD11  ILE   5          3HD1      ILE   5  14.448   0.382  -0.233
   44   HD12  ILE   5          1HD1      ILE   5  13.936   1.230   1.227
   45   HD13  ILE   5          2HD1      ILE   5  14.193   2.125  -0.270
   46    H    PHE   6           H        PHE   6  11.067  -1.293   0.399
   47    HA   PHE   6           HA       PHE   6   8.581  -1.803  -0.417
   48    HB2  PHE   6           2HB      PHE   6   9.141  -4.181  -0.225
   49    HB3  PHE   6           1HB      PHE   6  10.588  -3.255  -0.621
   50    HD1  PHE   6           HD2      PHE   6  11.865  -2.284   1.587
   51    HD2  PHE   6           HD1      PHE   6   9.343  -5.770   1.452
   52    HE1  PHE   6           HE2      PHE   6  12.946  -3.155   3.639
   53    HE2  PHE   6           HE1      PHE   6  10.440  -6.638   3.499
   54    HZ   PHE   6           HZ       PHE   6  12.240  -5.331   4.592
   55    H    ARG   7           H        ARG   7   6.660  -2.818   0.342
   56    HA   ARG   7           HA       ARG   7   4.859  -2.688   1.919
   57    HB2  ARG   7           2HB      ARG   7   5.302  -4.641   3.546
   58    HB3  ARG   7           1HB      ARG   7   5.358  -4.985   1.824
   59    HG2  ARG   7           2HG      ARG   7   7.273  -6.052   2.719
   60    HG3  ARG   7           1HG      ARG   7   7.886  -4.578   1.985
   61    HD2  ARG   7           2HD      ARG   7   8.887  -4.850   4.207
   62    HD3  ARG   7           1HD      ARG   7   7.769  -3.480   4.259
   63    HE   ARG   7           HE       ARG   7   6.145  -5.604   4.901
   64   HH11  ARG   7          1HH2      ARG   7   6.721  -3.676   7.025
   65   HH12  ARG   7          2HH2      ARG   7   7.587  -4.614   8.195
   66   HH21  ARG   7          1HH1      ARG   7   8.335  -7.176   5.982
   67   HH22  ARG   7          2HH1      ARG   7   8.501  -6.594   7.605
   68    HA   PRO   8           HA       PRO   8   7.627  -0.422   5.108
   69    HB2  PRO   8           2HB      PRO   8   6.644   2.084   4.617
   70    HB3  PRO   8           1HB      PRO   8   8.090   1.443   3.810
   71    HG2  PRO   8           2HG      PRO   8   5.311   1.691   2.796
   72    HG3  PRO   8           1HG      PRO   8   6.849   1.895   1.944
   73    HD2  PRO   8           2HD      PRO   8   5.278  -0.356   1.787
   74    HD3  PRO   8           1HD      PRO   8   7.021  -0.323   1.469
   75    H    ILE   9           H        ILE   9   6.173   1.651   6.378
   76    HA   ILE   9           HA       ILE   9   4.151   0.159   7.807
   77    HB   ILE   9           HB       ILE   9   5.618   1.979   8.702
   78   HG12  ILE   9          2HG1      ILE   9   2.630   2.497   8.877
   79   HG13  ILE   9          1HG1      ILE   9   3.543   1.374   9.884
   80   HG21  ILE   9          1HG2      ILE   9   4.230   4.294   8.052
   81   HG22  ILE   9          2HG2      ILE   9   4.300   3.422   6.520
   82   HG23  ILE   9          3HG2      ILE   9   5.788   3.810   7.383
   83   HD11  ILE   9          3HD1      ILE   9   3.170   4.199  10.247
   84   HD12  ILE   9          1HD1      ILE   9   4.886   3.874  10.009
   85   HD13  ILE   9          2HD1      ILE   9   4.005   3.057  11.300
   86    H    VAL  10           H        VAL  10   3.228  -0.100   5.262
   87    HA   VAL  10           HA       VAL  10   1.380   2.049   4.517
   88    HB   VAL  10           HB       VAL  10   2.610   0.421   2.986
   89   HG11  VAL  10          1HG1      VAL  10   1.647  -1.483   4.666
   90   HG12  VAL  10          2HG1      VAL  10   2.106  -1.817   2.995
   91   HG13  VAL  10          3HG1      VAL  10   0.415  -1.532   3.406
   92   HG21  VAL  10          3HG2      VAL  10   0.590   0.114   1.508
   93   HG22  VAL  10          1HG2      VAL  10   0.770   1.755   2.129
   94   HG23  VAL  10          2HG2      VAL  10  -0.412   0.664   2.854
   95    H    HIS  11           H        HIS  11  -0.771   2.178   5.113
   96    HA   HIS  11           HA       HIS  11  -1.790   0.538   7.224
   97    HB2  HIS  11           2HB      HIS  11  -2.353   2.955   6.427
   98    HB3  HIS  11           1HB      HIS  11  -3.468   2.161   5.316
   99    HD1  HIS  11           HD1      HIS  11  -3.761   3.819   8.300
  100    HD2  HIS  11           HD2      HIS  11  -4.846  -0.058   7.222
  101    HE1  HIS  11           HE1      HIS  11  -5.523   3.080   9.962
  102    H    VAL  12           H        VAL  12  -4.456   0.596   5.316
  103    HA   VAL  12           HA       VAL  12  -4.824  -2.135   5.118
  104    HB   VAL  12           HB       VAL  12  -6.174  -1.448   2.984
  105   HG11  VAL  12          1HG1      VAL  12  -6.924  -1.799   5.402
  106   HG12  VAL  12          2HG1      VAL  12  -7.941  -0.749   4.409
  107   HG13  VAL  12          3HG1      VAL  12  -6.820  -0.045   5.575
  108   HG21  VAL  12          3HG2      VAL  12  -4.663   0.756   3.002
  109   HG22  VAL  12          1HG2      VAL  12  -5.907   1.310   4.121
  110   HG23  VAL  12          2HG2      VAL  12  -6.348   0.814   2.487
  111    H    GLY  13           H        GLY  13  -2.666  -0.165   3.200
  112    HA2  GLY  13           2HA      GLY  13  -2.282  -1.721   0.900
  113    HA3  GLY  13           1HA      GLY  13  -0.947  -0.924   1.751
  114    H    LYS  14           H        LYS  14  -1.336  -2.270   4.247
  115    HA   LYS  14           HA       LYS  14   0.011  -4.828   3.666
  116    HB2  LYS  14           2HB      LYS  14   0.096  -2.930   5.668
  117    HB3  LYS  14           1HB      LYS  14  -0.889  -4.190   6.410
  118    HG2  LYS  14           2HG      LYS  14   0.901  -5.531   6.689
  119    HG3  LYS  14           1HG      LYS  14   1.382  -5.333   5.002
  120    HD2  LYS  14           2HD      LYS  14   3.116  -4.485   6.569
  121    HD3  LYS  14           1HD      LYS  14   2.476  -3.206   5.535
  122    HE2  LYS  14           2HE      LYS  14   0.818  -2.710   7.447
  123    HE3  LYS  14           1HE      LYS  14   1.875  -3.717   8.456
  124    HZ1  LYS  14           3HZ      LYS  14   3.717  -2.294   7.289
  125    HZ2  LYS  14           1HZ      LYS  14   2.921  -1.710   8.666
  126    HZ3  LYS  14           2HZ      LYS  14   2.456  -1.168   7.125
  127    H    THR  15           H        THR  15  -3.130  -3.634   4.777
  128    HA   THR  15           HA       THR  15  -4.344  -5.983   5.712
  129    HB   THR  15           HB       THR  15  -5.353  -3.620   4.134
  130    HG1  THR  15           HG1      THR  15  -5.677  -4.487   6.815
  131   HG21  THR  15          3HG2      THR  15  -7.245  -4.745   3.691
  132   HG22  THR  15          1HG2      THR  15  -7.510  -4.890   5.429
  133   HG23  THR  15          2HG2      THR  15  -6.647  -6.161   4.558
  134    H    ILE  16           H        ILE  16  -5.329  -4.825   2.517
  135    HA   ILE  16           HA       ILE  16  -6.102  -7.243   1.407
  136    HB   ILE  16           HB       ILE  16  -5.781  -6.126  -0.729
  137   HG12  ILE  16          2HG1      ILE  16  -4.170  -3.950   0.571
  138   HG13  ILE  16          1HG1      ILE  16  -3.355  -5.417   0.036
  139   HG21  ILE  16          1HG2      ILE  16  -6.191  -3.726   0.960
  140   HG22  ILE  16          2HG2      ILE  16  -7.233  -5.102   1.321
  141   HG23  ILE  16          3HG2      ILE  16  -7.222  -4.406  -0.300
  142   HD11  ILE  16          3HD1      ILE  16  -3.332  -4.594  -2.051
  143   HD12  ILE  16          1HD1      ILE  16  -4.290  -3.200  -1.550
  144   HD13  ILE  16          2HD1      ILE  16  -5.094  -4.684  -2.063
  145    H    HIS  17           H        HIS  17  -2.837  -6.065   1.948
  146    HA   HIS  17           HA       HIS  17  -1.491  -7.995   0.249
  147    HB2  HIS  17           2HB      HIS  17  -0.406  -5.938   0.882
  148    HB3  HIS  17           1HB      HIS  17  -0.690  -6.249   2.593
  149    HD1  HIS  17           HD1      HIS  17   2.053  -6.189   0.523
  150    HD2  HIS  17           HD2      HIS  17   0.544  -9.203   2.978
  151    HE1  HIS  17           HE1      HIS  17   3.977  -7.770   0.982
  152    H    ARG  18           H        ARG  18  -2.581  -7.905   3.613
  153    HA   ARG  18           HA       ARG  18  -1.171 -10.247   4.507
  154    HB2  ARG  18           2HB      ARG  18  -2.232  -8.545   5.957
  155    HB3  ARG  18           1HB      ARG  18  -3.822  -9.043   5.370
  156    HG2  ARG  18           2HG      ARG  18  -1.997 -11.135   6.475
  157    HG3  ARG  18           1HG      ARG  18  -2.824 -10.063   7.609
  158    HD2  ARG  18           2HD      ARG  18  -4.826 -10.782   5.785
  159    HD3  ARG  18           1HD      ARG  18  -3.920 -12.284   6.064
  160    HE   ARG  18           HE       ARG  18  -4.126 -11.395   8.599
  161   HH11  ARG  18          1HH2      ARG  18  -6.119 -13.344   7.202
  162   HH12  ARG  18          2HH2      ARG  18  -7.620 -12.665   7.731
  163   HH21  ARG  18          1HH1      ARG  18  -6.202  -9.684   8.794
  164   HH22  ARG  18          2HH1      ARG  18  -7.667 -10.594   8.633
  165    H    LEU  19           H        LEU  19  -3.880  -9.828   2.414
  166    HA   LEU  19           HA       LEU  19  -4.934 -12.546   2.860
  167    HB2  LEU  19           2HB      LEU  19  -5.695 -10.031   1.552
  168    HB3  LEU  19           1HB      LEU  19  -6.150 -11.465   0.629
  169    HG   LEU  19           HG       LEU  19  -6.682 -11.644   3.525
  170   HD11  LEU  19          1HD1      LEU  19  -8.918 -10.257   2.587
  171   HD12  LEU  19          2HD1      LEU  19  -7.546  -9.328   1.983
  172   HD13  LEU  19          3HD1      LEU  19  -7.706  -9.642   3.712
  173   HD21  LEU  19          3HD2      LEU  19  -8.131 -13.189   2.741
  174   HD22  LEU  19          1HD2      LEU  19  -7.482 -12.878   1.131
  175   HD23  LEU  19          2HD2      LEU  19  -8.908 -12.004   1.691
  176    H    VAL  20           H        VAL  20  -3.693 -10.739   0.076
  177    HA   VAL  20           HA       VAL  20  -3.403 -12.737  -1.827
  178    HB   VAL  20           HB       VAL  20  -1.859 -11.304  -2.856
  179   HG11  VAL  20          1HG1      VAL  20  -2.557  -9.304  -0.773
  180   HG12  VAL  20          2HG1      VAL  20  -3.882 -10.070  -1.652
  181   HG13  VAL  20          3HG1      VAL  20  -2.644  -9.167  -2.531
  182   HG21  VAL  20          3HG2      VAL  20  -0.050 -11.724  -1.200
  183   HG22  VAL  20          1HG2      VAL  20  -0.799 -10.556  -0.112
  184   HG23  VAL  20          2HG2      VAL  20  -0.139 -10.024  -1.659
  185    H    THR  21           H        THR  21  -1.242 -12.048   0.894
  186    HA   THR  21           HA       THR  21   0.500 -14.287   0.238
  187    HB   THR  21           HB       THR  21   0.327 -12.237   2.448
  188    HG1  THR  21           HG1      THR  21   2.326 -11.628   1.439
  189   HG21  THR  21          3HG2      THR  21   1.848 -14.763   2.332
  190   HG22  THR  21          1HG2      THR  21   1.438 -13.757   3.722
  191   HG23  THR  21          2HG2      THR  21   2.817 -13.337   2.705
  192    H    GLY  22           HN       GLY  22  -1.546 -13.430   3.036
  193    HA2  GLY  22           2HA      GLY  22  -1.407 -16.153   4.095
  194    HA3  GLY  22           1HA      GLY  22  -2.359 -14.828   4.767
  Start of MODEL    5
    1    H1   PHE   1           1HT      PHE   1   4.774  13.319   2.616
    2    H2   PHE   1           2HT      PHE   1   4.737  13.093   4.299
    3    H3   PHE   1           3HT      PHE   1   4.342  11.810   3.258
    4    HA   PHE   1           HA       PHE   1   7.019  13.068   3.155
    5    HB2  PHE   1           2HB      PHE   1   5.749  11.291   5.189
    6    HB3  PHE   1           1HB      PHE   1   7.402  10.905   4.712
    7    HD1  PHE   1           HD2      PHE   1   9.170  12.738   4.831
    8    HD2  PHE   1           HD1      PHE   1   5.290  13.111   6.636
    9    HE1  PHE   1           HE2      PHE   1  10.015  14.574   6.268
   10    HE2  PHE   1           HE1      PHE   1   6.135  14.947   8.073
   11    HZ   PHE   1           HZ       PHE   1   8.498  15.679   7.889
   12    H    PHE   2           H        PHE   2   8.555  11.113   2.621
   13    HA   PHE   2           HA       PHE   2   7.986  10.022   0.112
   14    HB2  PHE   2           2HB      PHE   2   9.798   9.443   2.399
   15    HB3  PHE   2           1HB      PHE   2   9.659   8.184   1.173
   16    HD1  PHE   2           HD2      PHE   2   9.216   9.743  -1.284
   17    HD2  PHE   2           HD1      PHE   2  11.881  10.474   2.005
   18    HE1  PHE   2           HE2      PHE   2  10.712  11.034  -2.783
   19    HE2  PHE   2           HE1      PHE   2  13.377  11.766   0.505
   20    HZ   PHE   2           HZ       PHE   2  12.792  12.045  -1.888
   21    H    HIS   3           H        HIS   3   8.415   7.600   2.595
   22    HA   HIS   3           HA       HIS   3   7.051   5.798   3.277
   23    HB2  HIS   3           2HB      HIS   3   5.349   7.991   2.777
   24    HB3  HIS   3           1HB      HIS   3   4.597   6.611   1.976
   25    HD1  HIS   3           HD1      HIS   3   3.531   4.841   3.443
   26    HD2  HIS   3           HD2      HIS   3   5.787   7.576   5.636
   27    HE1  HIS   3           HE1      HIS   3   3.066   4.358   5.884
   28    H    HIS   4           H        HIS   4   6.015   6.916   0.050
   29    HA   HIS   4           HA       HIS   4   5.461   4.332  -1.024
   30    HB2  HIS   4           2HB      HIS   4   6.216   7.029  -2.160
   31    HB3  HIS   4           1HB      HIS   4   5.875   5.656  -3.213
   32    HD1  HIS   4           HD1      HIS   4   3.926   5.646  -0.098
   33    HD2  HIS   4           HD2      HIS   4   3.457   7.186  -3.943
   34    HE1  HIS   4           HE1      HIS   4   1.475   6.237  -0.340
   35    H    ILE   5           H        ILE   5   8.465   6.068  -0.555
   36    HA   ILE   5           HA       ILE   5   9.947   4.040  -2.171
   37    HB   ILE   5           HB       ILE   5  11.791   5.771  -1.847
   38   HG12  ILE   5          2HG1      ILE   5   9.857   7.878  -1.241
   39   HG13  ILE   5          1HG1      ILE   5  10.068   6.740   0.089
   40   HG21  ILE   5          1HG2      ILE   5   9.266   6.846  -3.124
   41   HG22  ILE   5          2HG2      ILE   5  10.267   5.598  -3.865
   42   HG23  ILE   5          3HG2      ILE   5  10.932   7.207  -3.579
   43   HD11  ILE   5          3HD1      ILE   5  12.653   7.072  -0.636
   44   HD12  ILE   5          1HD1      ILE   5  11.859   8.075   0.577
   45   HD13  ILE   5          2HD1      ILE   5  12.011   8.652  -1.082
   46    H    PHE   6           H        PHE   6   9.500   5.289   1.086
   47    HA   PHE   6           HA       PHE   6  11.886   4.001   2.164
   48    HB2  PHE   6           2HB      PHE   6   9.967   5.936   2.904
   49    HB3  PHE   6           1HB      PHE   6   9.872   4.663   4.117
   50    HD1  PHE   6           HD1      PHE   6  12.077   7.132   2.490
   51    HD2  PHE   6           HD2      PHE   6  11.747   4.140   5.560
   52    HE1  PHE   6           HE1      PHE   6  14.197   7.935   3.504
   53    HE2  PHE   6           HE2      PHE   6  13.866   4.944   6.572
   54    HZ   PHE   6           HZ       PHE   6  15.090   6.840   5.543
   55    H    ARG   7           H        ARG   7  10.444   3.004   4.593
   56    HA   ARG   7           HA       ARG   7   9.173   0.545   3.448
   57    HB2  ARG   7           2HB      ARG   7  10.577  -0.629   5.281
   58    HB3  ARG   7           1HB      ARG   7  11.421  -0.064   3.841
   59    HG2  ARG   7           2HG      ARG   7  12.738   0.626   5.724
   60    HG3  ARG   7           1HG      ARG   7  11.948   2.070   5.102
   61    HD2  ARG   7           2HD      ARG   7  10.273   1.991   6.857
   62    HD3  ARG   7           1HD      ARG   7  10.884   0.422   7.422
   63    HE   ARG   7           HE       ARG   7  12.416   2.987   7.566
   64   HH11  ARG   7          1HH1      ARG   7  11.157   0.732   9.572
   65   HH12  ARG   7          2HH1      ARG   7  12.641   0.265  10.333
   66   HH21  ARG   7          1HH2      ARG   7  14.644   1.951   8.059
   67   HH22  ARG   7          2HH2      ARG   7  14.616   0.956   9.475
   68    HA   PRO   8           HA       PRO   8   7.158   1.952   7.365
   69    HB2  PRO   8           2HB      PRO   8   5.056   3.481   6.522
   70    HB3  PRO   8           1HB      PRO   8   6.653   4.161   6.889
   71    HG2  PRO   8           2HG      PRO   8   5.417   3.543   4.265
   72    HG3  PRO   8           1HG      PRO   8   6.486   4.873   4.732
   73    HD2  PRO   8           2HD      PRO   8   7.303   2.645   3.350
   74    HD3  PRO   8           1HD      PRO   8   8.369   3.663   4.333
   75    H    ILE   9           H        ILE   9   5.427   0.718   8.194
   76    HA   ILE   9           HA       ILE   9   4.255  -1.294   6.454
   77    HB   ILE   9           HB       ILE   9   3.977  -0.457   9.347
   78   HG12  ILE   9          2HG1      ILE   9   4.910  -3.105   8.250
   79   HG13  ILE   9          1HG1      ILE   9   6.007  -1.726   8.302
   80   HG21  ILE   9          1HG2      ILE   9   2.380  -2.445   7.758
   81   HG22  ILE   9          2HG2      ILE   9   1.842  -1.342   9.025
   82   HG23  ILE   9          3HG2      ILE   9   2.757  -2.790   9.446
   83   HD11  ILE   9          3HD1      ILE   9   6.445  -2.492  10.408
   84   HD12  ILE   9          1HD1      ILE   9   4.910  -3.351  10.523
   85   HD13  ILE   9          2HD1      ILE   9   4.969  -1.613  10.811
   86    H    VAL  10           H        VAL  10   3.140   0.253   4.941
   87    HA   VAL  10           HA       VAL  10   1.207   2.152   5.487
   88    HB   VAL  10           HB       VAL  10   1.308  -0.081   3.445
   89   HG11  VAL  10          1HG1      VAL  10  -0.461   2.371   3.307
   90   HG12  VAL  10          2HG1      VAL  10  -1.049   0.811   3.880
   91   HG13  VAL  10          3HG1      VAL  10  -0.459   0.979   2.226
   92   HG21  VAL  10          3HG2      VAL  10   2.850   1.289   2.534
   93   HG22  VAL  10          1HG2      VAL  10   2.572   2.494   3.792
   94   HG23  VAL  10          2HG2      VAL  10   1.589   2.505   2.327
   95    H    HIS  11           H        HIS  11  -1.111   2.062   5.796
   96    HA   HIS  11           HA       HIS  11  -1.992   0.112   7.701
   97    HB2  HIS  11           2HB      HIS  11  -2.735   2.534   7.317
   98    HB3  HIS  11           1HB      HIS  11  -3.708   1.920   5.984
   99    HD1  HIS  11           HD1      HIS  11  -4.082   2.765   9.383
  100    HD2  HIS  11           HD2      HIS  11  -5.335  -0.505   7.121
  101    HE1  HIS  11           HE1      HIS  11  -5.974   1.682  10.673
  102    H    VAL  12           H        VAL  12  -4.563   0.378   5.529
  103    HA   VAL  12           HA       VAL  12  -4.903  -2.341   5.121
  104    HB   VAL  12           HB       VAL  12  -6.017  -1.501   2.903
  105   HG11  VAL  12          1HG1      VAL  12  -7.936  -0.877   4.174
  106   HG12  VAL  12          2HG1      VAL  12  -6.944  -0.319   5.522
  107   HG13  VAL  12          3HG1      VAL  12  -7.051  -2.044   5.161
  108   HG21  VAL  12          3HG2      VAL  12  -6.255   0.830   2.646
  109   HG22  VAL  12          1HG2      VAL  12  -4.564   0.668   3.120
  110   HG23  VAL  12          2HG2      VAL  12  -5.770   1.155   4.310
  111    H    GLY  13           H        GLY  13  -2.569  -0.240   3.603
  112    HA2  GLY  13           2HA      GLY  13  -1.922  -1.565   1.231
  113    HA3  GLY  13           1HA      GLY  13  -0.689  -0.891   2.308
  114    H    LYS  14           H        LYS  14  -1.269  -2.463   4.582
  115    HA   LYS  14           HA       LYS  14   0.068  -4.983   3.858
  116    HB2  LYS  14           2HB      LYS  14  -0.382  -3.290   6.164
  117    HB3  LYS  14           1HB      LYS  14  -0.811  -4.957   6.553
  118    HG2  LYS  14           2HG      LYS  14   1.459  -5.014   6.997
  119    HG3  LYS  14           1HG      LYS  14   1.466  -5.477   5.295
  120    HD2  LYS  14           2HD      LYS  14   1.581  -2.566   5.997
  121    HD3  LYS  14           1HD      LYS  14   3.046  -3.536   6.149
  122    HE2  LYS  14           2HE      LYS  14   1.811  -4.210   3.654
  123    HE3  LYS  14           1HE      LYS  14   1.931  -2.442   3.759
  124    HZ1  LYS  14           3HZ      LYS  14   3.989  -3.948   3.066
  125    HZ2  LYS  14           1HZ      LYS  14   4.198  -3.990   4.747
  126    HZ3  LYS  14           2HZ      LYS  14   4.176  -2.499   3.933
  127    H    THR  15           H        THR  15  -3.138  -3.838   4.830
  128    HA   THR  15           HA       THR  15  -4.453  -6.226   5.469
  129    HB   THR  15           HB       THR  15  -5.310  -3.744   3.987
  130    HG1  THR  15           HG1      THR  15  -6.494  -3.599   6.049
  131   HG21  THR  15          3HG2      THR  15  -7.577  -5.085   4.996
  132   HG22  THR  15          1HG2      THR  15  -6.648  -6.297   4.109
  133   HG23  THR  15          2HG2      THR  15  -7.165  -4.813   3.303
  134    H    ILE  16           H        ILE  16  -5.154  -4.840   2.291
  135    HA   ILE  16           HA       ILE  16  -5.838  -7.168   0.947
  136    HB   ILE  16           HB       ILE  16  -5.163  -5.903  -1.086
  137   HG12  ILE  16          2HG1      ILE  16  -4.222  -3.537   0.328
  138   HG13  ILE  16          1HG1      ILE  16  -3.163  -4.919   0.601
  139   HG21  ILE  16          1HG2      ILE  16  -7.107  -4.849  -0.655
  140   HG22  ILE  16          2HG2      ILE  16  -6.167  -3.584   0.137
  141   HG23  ILE  16          3HG2      ILE  16  -6.820  -4.921   1.084
  142   HD11  ILE  16          3HD1      ILE  16  -2.452  -3.692  -1.403
  143   HD12  ILE  16          1HD1      ILE  16  -4.060  -3.880  -2.102
  144   HD13  ILE  16          2HD1      ILE  16  -3.039  -5.295  -1.845
  145    H    HIS  17           H        HIS  17  -2.639  -6.091   1.895
  146    HA   HIS  17           HA       HIS  17  -1.168  -7.915   0.160
  147    HB2  HIS  17           2HB      HIS  17  -0.137  -5.887   0.983
  148    HB3  HIS  17           1HB      HIS  17  -0.523  -6.308   2.650
  149    HD1  HIS  17           HD1      HIS  17   2.339  -6.125   0.754
  150    HD2  HIS  17           HD2      HIS  17   0.686  -9.286   2.918
  151    HE1  HIS  17           HE1      HIS  17   4.233  -7.741   1.223
  152    H    ARG  18           H        ARG  18  -2.500  -7.975   3.432
  153    HA   ARG  18           HA       ARG  18  -1.181 -10.449   4.205
  154    HB2  ARG  18           2HB      ARG  18  -1.994  -8.757   5.795
  155    HB3  ARG  18           1HB      ARG  18  -3.647  -9.002   5.225
  156    HG2  ARG  18           2HG      ARG  18  -2.016 -11.313   6.245
  157    HG3  ARG  18           1HG      ARG  18  -2.889 -10.266   7.367
  158    HD2  ARG  18           2HD      ARG  18  -4.666 -10.909   5.207
  159    HD3  ARG  18           1HD      ARG  18  -3.954 -12.418   5.815
  160    HE   ARG  18           HE       ARG  18  -4.629 -11.632   8.124
  161   HH11  ARG  18          1HH1      ARG  18  -7.077 -12.346   6.550
  162   HH12  ARG  18          2HH1      ARG  18  -8.085 -10.958   6.796
  163   HH21  ARG  18          1HH2      ARG  18  -5.491  -8.944   7.909
  164   HH22  ARG  18          2HH2      ARG  18  -7.186  -9.032   7.566
  165    H    LEU  19           H        LEU  19  -3.905  -9.661   2.242
  166    HA   LEU  19           HA       LEU  19  -5.289 -12.216   2.639
  167    HB2  LEU  19           2HB      LEU  19  -5.564  -9.734   1.001
  168    HB3  LEU  19           1HB      LEU  19  -6.439 -11.174   0.477
  169    HG   LEU  19           HG       LEU  19  -6.784 -10.928   3.296
  170   HD11  LEU  19          1HD1      LEU  19  -7.906  -8.480   2.025
  171   HD12  LEU  19          2HD1      LEU  19  -6.190  -8.453   2.429
  172   HD13  LEU  19          3HD1      LEU  19  -7.389  -8.746   3.690
  173   HD21  LEU  19          3HD2      LEU  19  -8.296 -11.300   0.877
  174   HD22  LEU  19          1HD2      LEU  19  -9.120 -10.117   1.891
  175   HD23  LEU  19          2HD2      LEU  19  -8.750 -11.719   2.528
  176    H    VAL  20           H        VAL  20  -3.520 -10.681  -0.021
  177    HA   VAL  20           HA       VAL  20  -3.512 -12.796  -1.884
  178    HB   VAL  20           HB       VAL  20  -1.745 -11.623  -2.899
  179   HG11  VAL  20          1HG1      VAL  20  -3.658 -10.090  -1.780
  180   HG12  VAL  20          2HG1      VAL  20  -2.352  -9.427  -2.767
  181   HG13  VAL  20          3HG1      VAL  20  -2.230  -9.405  -1.003
  182   HG21  VAL  20          3HG2      VAL  20  -0.086 -12.165  -1.132
  183   HG22  VAL  20          1HG2      VAL  20  -0.751 -10.874  -0.133
  184   HG23  VAL  20          2HG2      VAL  20   0.051 -10.487  -1.655
  185    H    THR  21           H        THR  21  -1.445 -12.232   0.920
  186    HA   THR  21           HA       THR  21   0.159 -14.600   0.498
  187    HB   THR  21           HB       THR  21  -0.147 -13.012   3.044
  188    HG1  THR  21           HG1      THR  21   1.397 -12.311   0.775
  189   HG21  THR  21          3HG2      THR  21   2.533 -13.425   2.460
  190   HG22  THR  21          1HG2      THR  21   1.764 -14.916   1.919
  191   HG23  THR  21          2HG2      THR  21   1.566 -14.377   3.587
  192    H    GLY  22           HN       GLY  22  -2.114 -13.667   3.090
  193    HA2  GLY  22           2HA      GLY  22  -3.929 -15.194   3.776
  194    HA3  GLY  22           1HA      GLY  22  -2.887 -16.545   3.326
  Start of MODEL    6
    1    H1   PHE   1           1HT      PHE   1   8.961  15.478   1.249
    2    H2   PHE   1           2HT      PHE   1  10.035  16.002   2.456
    3    H3   PHE   1           3HT      PHE   1   8.972  14.713   2.763
    4    HA   PHE   1           HA       PHE   1  10.776  14.366   0.496
    5    HB2  PHE   1           2HB      PHE   1  11.621  14.464   3.411
    6    HB3  PHE   1           1HB      PHE   1  12.618  13.805   2.113
    7    HD1  PHE   1           HD2      PHE   1  12.890  15.402   0.003
    8    HD2  PHE   1           HD1      PHE   1  11.872  16.716   3.963
    9    HE1  PHE   1           HE2      PHE   1  13.682  17.686  -0.552
   10    HE2  PHE   1           HE1      PHE   1  12.662  19.000   3.409
   11    HZ   PHE   1           HZ       PHE   1  13.568  19.485   1.150
   12    H    PHE   2           H        PHE   2   9.849  13.127   3.736
   13    HA   PHE   2           HA       PHE   2   9.950  10.347   2.826
   14    HB2  PHE   2           2HB      PHE   2   9.401  11.896   5.318
   15    HB3  PHE   2           1HB      PHE   2   8.762  10.254   5.235
   16    HD1  PHE   2           HD1      PHE   2  11.899  12.227   4.707
   17    HD2  PHE   2           HD2      PHE   2  10.163   8.412   5.654
   18    HE1  PHE   2           HE1      PHE   2  14.155  11.321   5.198
   19    HE2  PHE   2           HE2      PHE   2  12.419   7.507   6.144
   20    HZ   PHE   2           HZ       PHE   2  14.415   8.962   5.916
   21    H    HIS   3           H        HIS   3   8.212  11.518   1.088
   22    HA   HIS   3           HA       HIS   3   5.464  10.960   2.135
   23    HB2  HIS   3           2HB      HIS   3   6.716  12.777   0.147
   24    HB3  HIS   3           1HB      HIS   3   5.137  12.130  -0.298
   25    HD1  HIS   3           HD1      HIS   3   6.021  12.754   3.295
   26    HD2  HIS   3           HD2      HIS   3   3.790  14.577   0.282
   27    HE1  HIS   3           HE1      HIS   3   4.659  14.572   4.413
   28    H    HIS   4           H        HIS   4   7.845   9.303   0.661
   29    HA   HIS   4           HA       HIS   4   6.007   7.868  -1.215
   30    HB2  HIS   4           2HB      HIS   4   8.960   8.433  -1.116
   31    HB3  HIS   4           1HB      HIS   4   8.348   7.088  -2.067
   32    HD1  HIS   4           HD1      HIS   4   9.494   9.001  -3.903
   33    HD2  HIS   4           HD2      HIS   4   5.715   9.623  -2.313
   34    HE1  HIS   4           HE1      HIS   4   8.337  10.640  -5.454
   35    H    ILE   5           H        ILE   5   7.021   7.658   1.870
   36    HA   ILE   5           HA       ILE   5   7.394   4.683   1.759
   37    HB   ILE   5           HB       ILE   5   8.397   5.350   4.159
   38   HG12  ILE   5          2HG1      ILE   5   7.847   7.820   3.609
   39   HG13  ILE   5          1HG1      ILE   5   9.443   7.457   4.247
   40   HG21  ILE   5          1HG2      ILE   5   9.699   4.118   2.603
   41   HG22  ILE   5          2HG2      ILE   5  10.649   5.562   2.956
   42   HG23  ILE   5          3HG2      ILE   5   9.732   5.456   1.453
   43   HD11  ILE   5          3HD1      ILE   5   9.024   8.931   2.013
   44   HD12  ILE   5          1HD1      ILE   5   9.199   7.329   1.300
   45   HD13  ILE   5          2HD1      ILE   5  10.490   7.994   2.298
   46    H    PHE   6           H        PHE   6   6.124   7.330   3.797
   47    HA   PHE   6           HA       PHE   6   4.286   5.391   5.108
   48    HB2  PHE   6           2HB      PHE   6   4.532   6.744   6.966
   49    HB3  PHE   6           1HB      PHE   6   6.045   7.119   6.157
   50    HD1  PHE   6           HD2      PHE   6   5.635   9.023   4.165
   51    HD2  PHE   6           HD1      PHE   6   3.404   8.580   7.816
   52    HE1  PHE   6           HE2      PHE   6   4.957  11.403   4.045
   53    HE2  PHE   6           HE1      PHE   6   2.725  10.959   7.689
   54    HZ   PHE   6           HZ       PHE   6   3.502  12.371   5.804
   55    H    ARG   7           H        ARG   7   4.408   8.195   3.055
   56    HA   ARG   7           HA       ARG   7   1.908   9.382   3.340
   57    HB2  ARG   7           2HB      ARG   7   4.067   9.538   1.691
   58    HB3  ARG   7           1HB      ARG   7   2.850   8.912   0.581
   59    HG2  ARG   7           2HG      ARG   7   1.644  10.949   2.176
   60    HG3  ARG   7           1HG      ARG   7   3.156  11.580   1.522
   61    HD2  ARG   7           2HD      ARG   7   1.972  10.160  -0.608
   62    HD3  ARG   7           1HD      ARG   7   0.655  11.089   0.138
   63    HE   ARG   7           HE       ARG   7   3.223  12.499  -0.342
   64   HH11  ARG   7          1HH2      ARG   7   0.936  11.584  -2.477
   65   HH12  ARG   7          2HH2      ARG   7   0.302  13.161  -2.815
   66   HH21  ARG   7          1HH1      ARG   7   1.975  14.689  -0.191
   67   HH22  ARG   7          2HH1      ARG   7   0.890  14.918  -1.521
   68    HA   PRO   8           HA       PRO   8  -0.062   6.591  -0.112
   69    HB2  PRO   8           2HB      PRO   8   1.113   4.127  -0.328
   70    HB3  PRO   8           1HB      PRO   8   1.507   5.486  -1.400
   71    HG2  PRO   8           2HG      PRO   8   2.980   4.459   0.972
   72    HG3  PRO   8           1HG      PRO   8   3.603   5.053  -0.575
   73    HD2  PRO   8           2HD      PRO   8   3.606   6.540   1.689
   74    HD3  PRO   8           1HD      PRO   8   3.485   7.245   0.064
   75    H    ILE   9           H        ILE   9  -1.633   4.955   0.470
   76    HA   ILE   9           HA       ILE   9  -2.191   4.674   3.239
   77    HB   ILE   9           HB       ILE   9  -3.062   3.006   0.856
   78   HG12  ILE   9          2HG1      ILE   9  -3.422   5.468   0.618
   79   HG13  ILE   9          1HG1      ILE   9  -4.937   4.572   0.723
   80   HG21  ILE   9          1HG2      ILE   9  -5.021   3.405   2.955
   81   HG22  ILE   9          2HG2      ILE   9  -3.568   2.642   3.601
   82   HG23  ILE   9          3HG2      ILE   9  -4.433   1.897   2.256
   83   HD11  ILE   9          3HD1      ILE   9  -3.731   6.479   2.649
   84   HD12  ILE   9          1HD1      ILE   9  -4.494   5.055   3.355
   85   HD13  ILE   9          2HD1      ILE   9  -5.428   6.134   2.319
   86    H    VAL  10           H        VAL  10  -0.044   3.900   4.032
   87    HA   VAL  10           HA       VAL  10   1.005   1.306   3.324
   88    HB   VAL  10           HB       VAL  10   2.292   1.704   5.465
   89   HG11  VAL  10          1HG1      VAL  10   3.078   4.095   4.595
   90   HG12  VAL  10          2HG1      VAL  10   2.061   3.665   3.220
   91   HG13  VAL  10          3HG1      VAL  10   3.418   2.632   3.670
   92   HG21  VAL  10          3HG2      VAL  10   0.933   4.383   5.584
   93   HG22  VAL  10          1HG2      VAL  10   1.814   3.526   6.849
   94   HG23  VAL  10          2HG2      VAL  10   0.194   3.000   6.393
   95    H    HIS  11           H        HIS  11  -1.497   2.382   5.524
   96    HA   HIS  11           HA       HIS  11  -1.561   0.221   7.361
   97    HB2  HIS  11           2HB      HIS  11  -2.810   2.354   7.530
   98    HB3  HIS  11           1HB      HIS  11  -3.818   1.865   6.170
   99    HD1  HIS  11           HD1      HIS  11  -4.908   2.381   9.104
  100    HD2  HIS  11           HD2      HIS  11  -4.046  -1.359   7.475
  101    HE1  HIS  11           HE1      HIS  11  -6.268   0.695  10.417
  102    H    VAL  12           H        VAL  12  -4.472   0.276   5.472
  103    HA   VAL  12           HA       VAL  12  -4.689  -2.483   5.210
  104    HB   VAL  12           HB       VAL  12  -6.031  -1.798   3.063
  105   HG11  VAL  12          1HG1      VAL  12  -6.844  -0.544   5.681
  106   HG12  VAL  12          2HG1      VAL  12  -6.807  -2.295   5.454
  107   HG13  VAL  12          3HG1      VAL  12  -7.875  -1.296   4.463
  108   HG21  VAL  12          3HG2      VAL  12  -6.296   0.895   4.146
  109   HG22  VAL  12          1HG2      VAL  12  -6.034   0.388   2.477
  110   HG23  VAL  12          2HG2      VAL  12  -4.659   0.596   3.562
  111    H    GLY  13           H        GLY  13  -2.599  -0.334   3.437
  112    HA2  GLY  13           2HA      GLY  13  -2.089  -1.692   1.053
  113    HA3  GLY  13           1HA      GLY  13  -0.800  -0.941   2.008
  114    H    LYS  14           H        LYS  14  -1.127  -2.487   4.349
  115    HA   LYS  14           HA       LYS  14   0.271  -4.958   3.582
  116    HB2  LYS  14           2HB      LYS  14  -0.313  -3.321   5.977
  117    HB3  LYS  14           1HB      LYS  14  -0.253  -5.057   6.285
  118    HG2  LYS  14           2HG      LYS  14   1.984  -4.279   6.564
  119    HG3  LYS  14           1HG      LYS  14   1.946  -5.070   4.989
  120    HD2  LYS  14           2HD      LYS  14   3.050  -3.046   4.528
  121    HD3  LYS  14           1HD      LYS  14   1.382  -2.700   4.069
  122    HE2  LYS  14           2HE      LYS  14   2.056  -0.833   5.407
  123    HE3  LYS  14           1HE      LYS  14   1.089  -1.845   6.500
  124    HZ1  LYS  14           3HZ      LYS  14   3.008  -1.581   7.716
  125    HZ2  LYS  14           1HZ      LYS  14   4.012  -1.546   6.350
  126    HZ3  LYS  14           2HZ      LYS  14   3.358  -3.020   6.884
  127    H    THR  15           H        THR  15  -2.879  -3.936   4.833
  128    HA   THR  15           HA       THR  15  -4.051  -6.380   5.546
  129    HB   THR  15           HB       THR  15  -5.134  -3.926   4.166
  130    HG1  THR  15           HG1      THR  15  -4.790  -4.859   6.759
  131   HG21  THR  15          3HG2      THR  15  -6.358  -6.505   4.407
  132   HG22  THR  15          1HG2      THR  15  -7.045  -5.021   3.745
  133   HG23  THR  15          2HG2      THR  15  -7.200  -5.373   5.467
  134    H    ILE  16           H        ILE  16  -4.969  -4.929   2.439
  135    HA   ILE  16           HA       ILE  16  -5.801  -7.207   1.106
  136    HB   ILE  16           HB       ILE  16  -5.172  -5.937  -0.947
  137   HG12  ILE  16          2HG1      ILE  16  -3.982  -3.798   0.777
  138   HG13  ILE  16          1HG1      ILE  16  -2.972  -5.172   0.333
  139   HG21  ILE  16          1HG2      ILE  16  -6.771  -5.021   1.253
  140   HG22  ILE  16          2HG2      ILE  16  -7.019  -4.746  -0.472
  141   HG23  ILE  16          3HG2      ILE  16  -6.034  -3.624   0.469
  142   HD11  ILE  16          3HD1      ILE  16  -2.916  -3.163  -1.257
  143   HD12  ILE  16          1HD1      ILE  16  -4.555  -3.621  -1.719
  144   HD13  ILE  16          2HD1      ILE  16  -3.217  -4.737  -1.993
  145    H    HIS  17           H        HIS  17  -2.505  -6.210   1.817
  146    HA   HIS  17           HA       HIS  17  -1.224  -8.137   0.040
  147    HB2  HIS  17           2HB      HIS  17  -0.060  -6.124   0.669
  148    HB3  HIS  17           1HB      HIS  17  -0.351  -6.425   2.381
  149    HD1  HIS  17           HD1      HIS  17   2.387  -6.462   0.305
  150    HD2  HIS  17           HD2      HIS  17   0.780  -9.420   2.765
  151    HE1  HIS  17           HE1      HIS  17   4.257  -8.108   0.762
  152    H    ARG  18           H        ARG  18  -2.242  -8.029   3.427
  153    HA   ARG  18           HA       ARG  18  -0.919 -10.480   4.204
  154    HB2  ARG  18           2HB      ARG  18  -1.626  -8.793   5.810
  155    HB3  ARG  18           1HB      ARG  18  -3.305  -8.945   5.282
  156    HG2  ARG  18           2HG      ARG  18  -1.870 -11.402   6.194
  157    HG3  ARG  18           1HG      ARG  18  -2.431 -10.260   7.416
  158    HD2  ARG  18           2HD      ARG  18  -4.426 -10.881   5.309
  159    HD3  ARG  18           1HD      ARG  18  -4.016 -12.234   6.383
  160    HE   ARG  18           HE       ARG  18  -4.390 -10.481   8.275
  161   HH11  ARG  18          1HH1      ARG  18  -5.479  -9.332   5.326
  162   HH12  ARG  18          2HH1      ARG  18  -7.106  -9.032   5.839
  163   HH21  ARG  18          1HH2      ARG  18  -6.711 -10.601   8.906
  164   HH22  ARG  18          2HH2      ARG  18  -7.804  -9.751   7.865
  165    H    LEU  19           H        LEU  19  -3.781  -9.755   2.401
  166    HA   LEU  19           HA       LEU  19  -5.177 -12.253   2.955
  167    HB2  LEU  19           2HB      LEU  19  -5.408  -9.887   1.152
  168    HB3  LEU  19           1HB      LEU  19  -6.303 -11.341   0.709
  169    HG   LEU  19           HG       LEU  19  -6.436 -10.255   3.514
  170   HD11  LEU  19          1HD1      LEU  19  -7.502  -8.413   2.781
  171   HD12  LEU  19          2HD1      LEU  19  -8.753  -9.461   2.111
  172   HD13  LEU  19          3HD1      LEU  19  -7.388  -8.965   1.110
  173   HD21  LEU  19          3HD2      LEU  19  -8.849 -11.368   2.384
  174   HD22  LEU  19          1HD2      LEU  19  -7.907 -11.945   3.759
  175   HD23  LEU  19          2HD2      LEU  19  -7.503 -12.478   2.126
  176    H    VAL  20           H        VAL  20  -3.635 -10.992   0.024
  177    HA   VAL  20           HA       VAL  20  -3.635 -13.225  -1.624
  178    HB   VAL  20           HB       VAL  20  -1.877 -12.175  -2.770
  179   HG11  VAL  20          1HG1      VAL  20  -2.360  -9.930  -2.739
  180   HG12  VAL  20          2HG1      VAL  20  -2.300  -9.844  -0.976
  181   HG13  VAL  20          3HG1      VAL  20  -3.717 -10.523  -1.778
  182   HG21  VAL  20          3HG2      VAL  20  -0.009 -11.010  -1.673
  183   HG22  VAL  20          1HG2      VAL  20  -0.173 -12.641  -1.023
  184   HG23  VAL  20          2HG2      VAL  20  -0.763 -11.260  -0.099
  185    H    THR  21           H        THR  21  -1.439 -12.543   1.064
  186    HA   THR  21           HA       THR  21   0.008 -15.037   0.720
  187    HB   THR  21           HB       THR  21   0.230 -13.533   3.249
  188    HG1  THR  21           HG1      THR  21   0.424 -11.638   2.396
  189   HG21  THR  21          3HG2      THR  21   2.647 -13.436   2.312
  190   HG22  THR  21          1HG2      THR  21   2.051 -14.539   1.072
  191   HG23  THR  21          2HG2      THR  21   1.999 -15.010   2.771
  192    H    GLY  22           HN       GLY  22  -2.000 -13.698   3.350
  193    HA2  GLY  22           2HA      GLY  22  -2.279 -16.325   4.602
  194    HA3  GLY  22           1HA      GLY  22  -3.054 -14.835   5.141
  Start of MODEL    7
    1    H1   PHE   1           1HT      PHE   1  -5.409  17.902  -6.377
    2    H2   PHE   1           2HT      PHE   1  -6.059  18.030  -4.812
    3    H3   PHE   1           3HT      PHE   1  -6.593  16.804  -5.860
    4    HA   PHE   1           HA       PHE   1  -4.207  15.962  -5.859
    5    HB2  PHE   1           2HB      PHE   1  -4.123  18.384  -4.288
    6    HB3  PHE   1           1HB      PHE   1  -3.582  17.023  -3.305
    7    HD1  PHE   1           HD2      PHE   1  -3.284  17.636  -6.986
    8    HD2  PHE   1           HD1      PHE   1  -1.237  17.125  -3.245
    9    HE1  PHE   1           HE2      PHE   1  -1.110  17.640  -8.176
   10    HE2  PHE   1           HE1      PHE   1   0.938  17.127  -4.435
   11    HZ   PHE   1           HZ       PHE   1   1.002  17.385  -6.901
   12    H    PHE   2           H        PHE   2  -4.422  13.924  -5.003
   13    HA   PHE   2           HA       PHE   2  -6.605  13.329  -3.152
   14    HB2  PHE   2           2HB      PHE   2  -5.537  11.997  -5.163
   15    HB3  PHE   2           1HB      PHE   2  -4.410  11.429  -3.930
   16    HD1  PHE   2           HD1      PHE   2  -8.103  12.117  -4.053
   17    HD2  PHE   2           HD2      PHE   2  -4.973   9.341  -3.081
   18    HE1  PHE   2           HE1      PHE   2  -9.796  10.490  -3.253
   19    HE2  PHE   2           HE2      PHE   2  -6.666   7.713  -2.281
   20    HZ   PHE   2           HZ       PHE   2  -9.077   8.288  -2.367
   21    H    HIS   3           H        HIS   3  -3.328  14.249  -2.804
   22    HA   HIS   3           HA       HIS   3  -2.779  12.794  -0.326
   23    HB2  HIS   3           2HB      HIS   3  -1.372  14.199  -2.297
   24    HB3  HIS   3           1HB      HIS   3  -1.203  15.192  -0.850
   25    HD1  HIS   3           HD1      HIS   3  -0.255  13.922   1.325
   26    HD2  HIS   3           HD2      HIS   3   0.171  11.875  -2.281
   27    HE1  HIS   3           HE1      HIS   3   1.451  12.096   1.737
   28    H    HIS   4           H        HIS   4  -4.760  15.409  -1.058
   29    HA   HIS   4           HA       HIS   4  -4.296  16.764   1.563
   30    HB2  HIS   4           2HB      HIS   4  -5.477  17.455  -1.100
   31    HB3  HIS   4           1HB      HIS   4  -6.069  18.322   0.317
   32    HD1  HIS   4           HD1      HIS   4  -3.340  18.373   1.886
   33    HD2  HIS   4           HD2      HIS   4  -3.818  19.486  -2.102
   34    HE1  HIS   4           HE1      HIS   4  -1.414  19.924   1.340
   35    H    ILE   5           H        ILE   5  -6.692  14.954  -0.289
   36    HA   ILE   5           HA       ILE   5  -8.895  15.442   1.548
   37    HB   ILE   5           HB       ILE   5 -10.044  13.921   0.098
   38   HG12  ILE   5          2HG1      ILE   5  -8.169  12.814  -1.630
   39   HG13  ILE   5          1HG1      ILE   5  -7.394  12.686  -0.057
   40   HG21  ILE   5          1HG2      ILE   5  -8.179  14.789  -1.991
   41   HG22  ILE   5          2HG2      ILE   5  -8.609  16.081  -0.870
   42   HG23  ILE   5          3HG2      ILE   5  -9.872  15.218  -1.749
   43   HD11  ILE   5          3HD1      ILE   5 -10.010  11.511  -0.963
   44   HD12  ILE   5          1HD1      ILE   5  -9.708  11.794   0.750
   45   HD13  ILE   5          2HD1      ILE   5  -8.658  10.711  -0.163
   46    H    PHE   6           H        PHE   6  -6.271  13.123   1.360
   47    HA   PHE   6           HA       PHE   6  -7.268  11.878   3.887
   48    HB2  PHE   6           2HB      PHE   6  -7.338  10.753   1.280
   49    HB3  PHE   6           1HB      PHE   6  -6.061   9.913   2.158
   50    HD1  PHE   6           HD2      PHE   6  -6.759   9.461   4.764
   51    HD2  PHE   6           HD1      PHE   6  -9.454   9.808   1.437
   52    HE1  PHE   6           HE2      PHE   6  -8.467   8.164   6.012
   53    HE2  PHE   6           HE1      PHE   6 -11.161   8.511   2.684
   54    HZ   PHE   6           HZ       PHE   6 -10.667   7.689   4.971
   55    H    ARG   7           H        ARG   7  -5.171   9.877   3.839
   56    HA   ARG   7           HA       ARG   7  -2.665  11.504   3.876
   57    HB2  ARG   7           2HB      ARG   7  -2.292  10.981   6.157
   58    HB3  ARG   7           1HB      ARG   7  -4.013  11.328   6.093
   59    HG2  ARG   7           2HG      ARG   7  -4.562   8.972   6.017
   60    HG3  ARG   7           1HG      ARG   7  -2.858   8.537   5.872
   61    HD2  ARG   7           2HD      ARG   7  -3.634   8.240   8.205
   62    HD3  ARG   7           1HD      ARG   7  -2.439   9.550   8.119
   63    HE   ARG   7           HE       ARG   7  -4.161  11.023   8.760
   64   HH11  ARG   7          1HH1      ARG   7  -5.627   8.104   8.856
   65   HH12  ARG   7          2HH1      ARG   7  -7.189   8.625   8.317
   66   HH21  ARG   7          1HH2      ARG   7  -6.099  11.770   7.347
   67   HH22  ARG   7          2HH2      ARG   7  -7.457  10.700   7.463
   68    HA   PRO   8           HA       PRO   8  -0.571   7.965   2.429
   69    HB2  PRO   8           2HB      PRO   8   1.092   6.985   4.359
   70    HB3  PRO   8           1HB      PRO   8   1.453   8.449   3.425
   71    HG2  PRO   8           2HG      PRO   8   0.567   8.169   6.212
   72    HG3  PRO   8           1HG      PRO   8   1.491   9.463   5.441
   73    HD2  PRO   8           2HD      PRO   8  -1.246   9.489   6.094
   74    HD3  PRO   8           1HD      PRO   8  -0.371  10.690   5.125
   75    H    ILE   9           H        ILE   9  -2.351   6.550   2.235
   76    HA   ILE   9           HA       ILE   9  -3.404   5.067   4.523
   77    HB   ILE   9           HB       ILE   9  -4.849   4.093   2.788
   78   HG12  ILE   9          2HG1      ILE   9  -3.968   5.526   0.486
   79   HG13  ILE   9          1HG1      ILE   9  -2.571   4.674   1.144
   80   HG21  ILE   9          1HG2      ILE   9  -6.009   6.023   2.794
   81   HG22  ILE   9          2HG2      ILE   9  -4.875   6.746   1.653
   82   HG23  ILE   9          3HG2      ILE   9  -4.565   6.844   3.385
   83   HD11  ILE   9          3HD1      ILE   9  -4.422   3.516  -0.495
   84   HD12  ILE   9          1HD1      ILE   9  -5.068   3.097   1.091
   85   HD13  ILE   9          2HD1      ILE   9  -3.427   2.622   0.654
   86    H    VAL  10           H        VAL  10  -0.643   4.515   4.345
   87    HA   VAL  10           HA       VAL  10  -0.040   2.149   2.810
   88    HB   VAL  10           HB       VAL  10   1.641   3.696   3.731
   89   HG11  VAL  10          1HG1      VAL  10   1.753   2.917   6.448
   90   HG12  VAL  10          2HG1      VAL  10   0.066   3.311   6.118
   91   HG13  VAL  10          3HG1      VAL  10   1.327   4.505   5.808
   92   HG21  VAL  10          3HG2      VAL  10   2.198   1.264   3.389
   93   HG22  VAL  10          1HG2      VAL  10   1.848   0.995   5.097
   94   HG23  VAL  10          2HG2      VAL  10   3.183   2.047   4.624
   95    H    HIS  11           H        HIS  11  -1.881   2.699   5.659
   96    HA   HIS  11           HA       HIS  11  -1.553   0.390   7.209
   97    HB2  HIS  11           2HB      HIS  11  -2.998   2.347   7.703
   98    HB3  HIS  11           1HB      HIS  11  -4.116   1.822   6.447
   99    HD1  HIS  11           HD1      HIS  11  -4.249   1.868   9.829
  100    HD2  HIS  11           HD2      HIS  11  -4.362  -1.359   7.195
  101    HE1  HIS  11           HE1      HIS  11  -5.342  -0.042  11.083
  102    H    VAL  12           H        VAL  12  -4.407   0.589   5.102
  103    HA   VAL  12           HA       VAL  12  -4.784  -2.178   4.889
  104    HB   VAL  12           HB       VAL  12  -5.877  -1.457   2.623
  105   HG11  VAL  12          1HG1      VAL  12  -6.800  -0.130   5.175
  106   HG12  VAL  12          2HG1      VAL  12  -6.942  -1.866   4.883
  107   HG13  VAL  12          3HG1      VAL  12  -7.799  -0.721   3.845
  108   HG21  VAL  12          3HG2      VAL  12  -6.056   1.276   3.620
  109   HG22  VAL  12          1HG2      VAL  12  -5.679   0.708   1.993
  110   HG23  VAL  12          2HG2      VAL  12  -4.398   0.856   3.197
  111    H    GLY  13           H        GLY  13  -2.372  -0.204   3.375
  112    HA2  GLY  13           2HA      GLY  13  -1.721  -1.591   1.035
  113    HA3  GLY  13           1HA      GLY  13  -0.490  -0.932   2.123
  114    H    LYS  14           H        LYS  14  -1.094  -2.429   4.404
  115    HA   LYS  14           HA       LYS  14   0.152  -5.004   3.756
  116    HB2  LYS  14           2HB      LYS  14  -0.910  -3.781   6.330
  117    HB3  LYS  14           1HB      LYS  14   0.122  -5.208   6.227
  118    HG2  LYS  14           2HG      LYS  14   0.937  -2.543   5.056
  119    HG3  LYS  14           1HG      LYS  14   1.312  -2.995   6.720
  120    HD2  LYS  14           2HD      LYS  14   2.995  -4.346   6.063
  121    HD3  LYS  14           1HD      LYS  14   1.975  -5.133   4.857
  122    HE2  LYS  14           2HE      LYS  14   2.351  -3.212   3.312
  123    HE3  LYS  14           1HE      LYS  14   3.446  -2.494   4.511
  124    HZ1  LYS  14           3HZ      LYS  14   4.408  -4.938   4.468
  125    HZ2  LYS  14           1HZ      LYS  14   4.943  -3.755   3.378
  126    HZ3  LYS  14           2HZ      LYS  14   3.791  -4.901   2.885
  127    H    THR  15           H        THR  15  -3.030  -3.723   4.645
  128    HA   THR  15           HA       THR  15  -4.402  -6.067   5.375
  129    HB   THR  15           HB       THR  15  -5.203  -3.613   3.816
  130    HG1  THR  15           HG1      THR  15  -6.415  -3.457   5.911
  131   HG21  THR  15          3HG2      THR  15  -7.514  -4.300   4.007
  132   HG22  THR  15          1HG2      THR  15  -7.052  -5.749   4.900
  133   HG23  THR  15          2HG2      THR  15  -6.625  -5.591   3.197
  134    H    ILE  16           H        ILE  16  -4.854  -4.707   2.109
  135    HA   ILE  16           HA       ILE  16  -5.706  -7.014   0.812
  136    HB   ILE  16           HB       ILE  16  -4.984  -5.888  -1.212
  137   HG12  ILE  16          2HG1      ILE  16  -3.334  -3.946   0.385
  138   HG13  ILE  16          1HG1      ILE  16  -2.624  -5.474  -0.130
  139   HG21  ILE  16          1HG2      ILE  16  -6.453  -4.218  -0.862
  140   HG22  ILE  16          2HG2      ILE  16  -5.343  -3.402   0.239
  141   HG23  ILE  16          3HG2      ILE  16  -6.434  -4.647   0.849
  142   HD11  ILE  16          3HD1      ILE  16  -2.445  -4.790  -2.266
  143   HD12  ILE  16          1HD1      ILE  16  -2.789  -3.167  -1.666
  144   HD13  ILE  16          2HD1      ILE  16  -4.098  -4.175  -2.283
  145    H    HIS  17           H        HIS  17  -2.463  -6.136   1.812
  146    HA   HIS  17           HA       HIS  17  -1.087  -8.209   0.307
  147    HB2  HIS  17           2HB      HIS  17   0.086  -6.225   0.998
  148    HB3  HIS  17           1HB      HIS  17  -0.425  -6.434   2.671
  149    HD1  HIS  17           HD1      HIS  17   2.537  -6.702   0.928
  150    HD2  HIS  17           HD2      HIS  17   0.508  -9.437   3.331
  151    HE1  HIS  17           HE1      HIS  17   4.255  -8.401   1.686
  152    H    ARG  18           H        ARG  18  -2.589  -7.918   3.479
  153    HA   ARG  18           HA       ARG  18  -1.458 -10.344   4.581
  154    HB2  ARG  18           2HB      ARG  18  -2.373  -8.531   5.942
  155    HB3  ARG  18           1HB      ARG  18  -3.959  -8.745   5.199
  156    HG2  ARG  18           2HG      ARG  18  -2.720 -11.159   6.400
  157    HG3  ARG  18           1HG      ARG  18  -3.287  -9.922   7.525
  158    HD2  ARG  18           2HD      ARG  18  -5.483  -9.939   6.140
  159    HD3  ARG  18           1HD      ARG  18  -4.895 -11.483   5.493
  160    HE   ARG  18           HE       ARG  18  -5.444 -10.942   8.378
  161   HH11  ARG  18          1HH2      ARG  18  -7.096 -12.938   6.940
  162   HH12  ARG  18          2HH2      ARG  18  -6.307 -14.431   7.320
  163   HH21  ARG  18          1HH1      ARG  18  -3.370 -12.922   8.374
  164   HH22  ARG  18          2HH1      ARG  18  -4.198 -14.423   8.132
  165    H    LEU  19           H        LEU  19  -4.003  -9.717   2.306
  166    HA   LEU  19           HA       LEU  19  -5.294 -12.334   2.821
  167    HB2  LEU  19           2HB      LEU  19  -5.874 -10.226   0.727
  168    HB3  LEU  19           1HB      LEU  19  -6.957 -11.508   1.267
  169    HG   LEU  19           HG       LEU  19  -5.977  -9.906   3.497
  170   HD11  LEU  19          1HD1      LEU  19  -7.866  -8.147   2.430
  171   HD12  LEU  19          2HD1      LEU  19  -6.810  -8.525   1.068
  172   HD13  LEU  19          3HD1      LEU  19  -6.131  -7.861   2.553
  173   HD21  LEU  19          3HD2      LEU  19  -7.975 -11.539   3.293
  174   HD22  LEU  19          1HD2      LEU  19  -8.813 -10.207   2.499
  175   HD23  LEU  19          2HD2      LEU  19  -8.251 -10.029   4.160
  176    H    VAL  20           H        VAL  20  -3.241 -10.764   0.425
  177    HA   VAL  20           HA       VAL  20  -3.426 -12.804  -1.604
  178    HB   VAL  20           HB       VAL  20  -1.655 -11.621  -2.609
  179   HG11  VAL  20          1HG1      VAL  20  -2.472  -9.526  -2.542
  180   HG12  VAL  20          2HG1      VAL  20  -2.051  -9.348  -0.838
  181   HG13  VAL  20          3HG1      VAL  20  -3.570 -10.117  -1.295
  182   HG21  VAL  20          3HG2      VAL  20   0.019 -12.135  -0.874
  183   HG22  VAL  20          1HG2      VAL  20  -0.694 -10.915   0.177
  184   HG23  VAL  20          2HG2      VAL  20   0.095 -10.431  -1.323
  185    H    THR  21           H        THR  21  -1.364 -12.311   1.212
  186    HA   THR  21           HA       THR  21   0.141 -14.756   0.688
  187    HB   THR  21           HB       THR  21   0.159 -12.558   2.748
  188    HG1  THR  21           HG1      THR  21   1.877 -13.489   0.708
  189   HG21  THR  21          3HG2      THR  21   2.079 -13.648   3.814
  190   HG22  THR  21          1HG2      THR  21   1.921 -15.024   2.721
  191   HG23  THR  21          2HG2      THR  21   0.659 -14.689   3.906
  192    H    GLY  22           HN       GLY  22  -2.027 -13.531   3.239
  193    HA2  GLY  22           2HA      GLY  22  -2.519 -16.372   4.046
  194    HA3  GLY  22           1HA      GLY  22  -2.547 -15.027   5.187
  Start of MODEL    8
    1    H1   PHE   1           1HT      PHE   1  11.273  15.377   2.160
    2    H2   PHE   1           2HT      PHE   1  12.321  14.581   1.087
    3    H3   PHE   1           3HT      PHE   1  12.947  15.619   2.276
    4    HA   PHE   1           HA       PHE   1  13.144  13.151   2.755
    5    HB2  PHE   1           2HB      PHE   1  12.759  15.464   4.257
    6    HB3  PHE   1           1HB      PHE   1  11.629  14.314   4.974
    7    HD1  PHE   1           HD2      PHE   1  12.815  11.756   4.875
    8    HD2  PHE   1           HD1      PHE   1  14.767  15.542   5.433
    9    HE1  PHE   1           HE2      PHE   1  14.696  10.617   6.022
   10    HE2  PHE   1           HE1      PHE   1  16.647  14.403   6.582
   11    HZ   PHE   1           HZ       PHE   1  16.611  11.940   6.877
   12    H    PHE   2           H        PHE   2  11.791  11.579   1.814
   13    HA   PHE   2           HA       PHE   2   8.885  11.651   2.127
   14    HB2  PHE   2           2HB      PHE   2  10.848   9.560   1.134
   15    HB3  PHE   2           1HB      PHE   2   9.100   9.461   0.945
   16    HD1  PHE   2           HD2      PHE   2   8.386  12.263   0.356
   17    HD2  PHE   2           HD1      PHE   2  11.681   9.892  -1.049
   18    HE1  PHE   2           HE2      PHE   2   8.524  13.664  -1.686
   19    HE2  PHE   2           HE1      PHE   2  11.820  11.294  -3.089
   20    HZ   PHE   2           HZ       PHE   2  10.241  13.180  -3.408
   21    H    HIS   3           H        HIS   3   9.938  11.756   4.694
   22    HA   HIS   3           HA       HIS   3   9.273   9.033   5.747
   23    HB2  HIS   3           2HB      HIS   3  11.691   9.341   5.783
   24    HB3  HIS   3           1HB      HIS   3  11.510  10.916   6.555
   25    HD1  HIS   3           HD1      HIS   3   9.772   7.645   7.440
   26    HD2  HIS   3           HD2      HIS   3  12.389  10.410   9.138
   27    HE1  HIS   3           HE1      HIS   3  10.103   6.933   9.848
   28    H    HIS   4           H        HIS   4   9.405  12.526   6.311
   29    HA   HIS   4           HA       HIS   4   7.868  12.309   8.822
   30    HB2  HIS   4           2HB      HIS   4   9.575  13.965   8.759
   31    HB3  HIS   4           1HB      HIS   4   9.084  14.521   7.160
   32    HD1  HIS   4           HD1      HIS   4   6.599  13.893   9.922
   33    HD2  HIS   4           HD2      HIS   4   8.398  17.132   8.010
   34    HE1  HIS   4           HE1      HIS   4   5.358  15.961  10.697
   35    H    ILE   5           H        ILE   5   7.320  13.023   5.427
   36    HA   ILE   5           HA       ILE   5   4.686  14.222   5.814
   37    HB   ILE   5           HB       ILE   5   4.702  14.288   3.417
   38   HG12  ILE   5          2HG1      ILE   5   6.900  12.876   2.515
   39   HG13  ILE   5          1HG1      ILE   5   6.253  11.817   3.760
   40   HG21  ILE   5          1HG2      ILE   5   7.553  14.493   3.390
   41   HG22  ILE   5          2HG2      ILE   5   6.979  15.059   4.958
   42   HG23  ILE   5          3HG2      ILE   5   6.367  15.797   3.478
   43   HD11  ILE   5          3HD1      ILE   5   5.161  11.243   1.686
   44   HD12  ILE   5          1HD1      ILE   5   4.773  12.934   1.368
   45   HD13  ILE   5          2HD1      ILE   5   3.982  12.082   2.695
   46    H    PHE   6           H        PHE   6   5.957  10.981   5.374
   47    HA   PHE   6           HA       PHE   6   3.182   9.910   5.634
   48    HB2  PHE   6           2HB      PHE   6   4.743  10.017   3.261
   49    HB3  PHE   6           1HB      PHE   6   4.719   8.331   3.781
   50    HD1  PHE   6           HD2      PHE   6   2.292   7.573   4.729
   51    HD2  PHE   6           HD1      PHE   6   3.014  10.696   1.870
   52    HE1  PHE   6           HE2      PHE   6  -0.035   7.349   3.899
   53    HE2  PHE   6           HE1      PHE   6   0.686  10.473   1.040
   54    HZ   PHE   6           HZ       PHE   6  -0.837   8.800   2.054
   55    H    ARG   7           H        ARG   7   4.089   7.195   5.149
   56    HA   ARG   7           HA       ARG   7   6.126   6.735   7.279
   57    HB2  ARG   7           2HB      ARG   7   4.568   5.187   8.399
   58    HB3  ARG   7           1HB      ARG   7   3.851   6.794   8.289
   59    HG2  ARG   7           2HG      ARG   7   2.242   6.121   6.816
   60    HG3  ARG   7           1HG      ARG   7   3.327   5.005   5.987
   61    HD2  ARG   7           2HD      ARG   7   1.652   3.674   7.137
   62    HD3  ARG   7           1HD      ARG   7   3.169   3.502   8.043
   63    HE   ARG   7           HE       ARG   7   2.032   4.534   9.830
   64   HH11  ARG   7          1HH2      ARG   7   0.406   5.194   6.896
   65   HH12  ARG   7          2HH2      ARG   7  -0.509   6.520   7.531
   66   HH21  ARG   7          1HH1      ARG   7   1.058   6.467  10.624
   67   HH22  ARG   7          2HH1      ARG   7  -0.141   7.240   9.642
   68    HA   PRO   8           HA       PRO   8   6.561   3.149   4.663
   69    HB2  PRO   8           2HB      PRO   8   7.784   1.365   6.337
   70    HB3  PRO   8           1HB      PRO   8   8.548   2.881   5.814
   71    HG2  PRO   8           2HG      PRO   8   7.194   2.232   8.380
   72    HG3  PRO   8           1HG      PRO   8   8.643   3.203   8.080
   73    HD2  PRO   8           2HD      PRO   8   6.190   4.277   8.577
   74    HD3  PRO   8           1HD      PRO   8   7.443   5.091   7.617
   75    H    ILE   9           H        ILE   9   5.497   1.720   7.785
   76    HA   ILE   9           HA       ILE   9   4.217  -0.543   6.481
   77    HB   ILE   9           HB       ILE   9   4.030   0.591   9.293
   78   HG12  ILE   9          2HG1      ILE   9   5.615  -1.797   9.023
   79   HG13  ILE   9          1HG1      ILE   9   6.202  -0.583   7.886
   80   HG21  ILE   9          1HG2      ILE   9   2.362  -1.252   8.247
   81   HG22  ILE   9          2HG2      ILE   9   2.907  -1.309   9.923
   82   HG23  ILE   9          3HG2      ILE   9   3.699  -2.307   8.705
   83   HD11  ILE   9          3HD1      ILE   9   5.687   0.841  10.244
   84   HD12  ILE   9          1HD1      ILE   9   7.271   0.387   9.616
   85   HD13  ILE   9          2HD1      ILE   9   6.452  -0.655  10.780
   86    H    VAL  10           H        VAL  10   2.824   0.850   4.996
   87    HA   VAL  10           HA       VAL  10   0.790   2.603   5.867
   88    HB   VAL  10           HB       VAL  10   1.301   2.375   3.543
   89   HG11  VAL  10          1HG1      VAL  10   0.733  -0.555   4.024
   90   HG12  VAL  10          2HG1      VAL  10   2.206   0.181   3.394
   91   HG13  VAL  10          3HG1      VAL  10   0.752   0.134   2.401
   92   HG21  VAL  10          3HG2      VAL  10  -0.850   2.532   2.819
   93   HG22  VAL  10          1HG2      VAL  10  -1.269   2.254   4.510
   94   HG23  VAL  10          2HG2      VAL  10  -1.247   0.904   3.374
   95    H    HIS  11           H        HIS  11  -1.438   2.242   6.396
   96    HA   HIS  11           HA       HIS  11  -1.972   0.006   8.063
   97    HB2  HIS  11           2HB      HIS  11  -4.340   0.950   7.917
   98    HB3  HIS  11           1HB      HIS  11  -3.089   2.092   8.407
   99    HD1  HIS  11           HD1      HIS  11  -4.866   3.908   7.355
  100    HD2  HIS  11           HD2      HIS  11  -2.917   1.374   4.703
  101    HE1  HIS  11           HE1      HIS  11  -5.135   4.950   5.057
  102    H    VAL  12           H        VAL  12  -4.681   0.283   6.019
  103    HA   VAL  12           HA       VAL  12  -4.977  -2.385   5.460
  104    HB   VAL  12           HB       VAL  12  -6.098  -1.486   3.292
  105   HG11  VAL  12          1HG1      VAL  12  -6.971  -0.302   5.926
  106   HG12  VAL  12          2HG1      VAL  12  -7.097  -2.028   5.573
  107   HG13  VAL  12          3HG1      VAL  12  -7.990  -0.858   4.596
  108   HG21  VAL  12          3HG2      VAL  12  -4.612   0.648   3.485
  109   HG22  VAL  12          1HG2      VAL  12  -5.756   1.146   4.732
  110   HG23  VAL  12          2HG2      VAL  12  -6.317   0.861   3.084
  111    H    GLY  13           H        GLY  13  -2.616  -0.261   3.984
  112    HA2  GLY  13           2HA      GLY  13  -2.011  -1.568   1.588
  113    HA3  GLY  13           1HA      GLY  13  -0.765  -0.898   2.651
  114    H    LYS  14           H        LYS  14  -1.347  -2.484   4.924
  115    HA   LYS  14           HA       LYS  14  -0.008  -4.998   4.187
  116    HB2  LYS  14           2HB      LYS  14  -0.259  -3.294   6.439
  117    HB3  LYS  14           1HB      LYS  14  -1.002  -4.824   6.904
  118    HG2  LYS  14           2HG      LYS  14   1.225  -5.241   7.430
  119    HG3  LYS  14           1HG      LYS  14   1.151  -5.860   5.780
  120    HD2  LYS  14           2HD      LYS  14   1.935  -3.009   6.416
  121    HD3  LYS  14           1HD      LYS  14   3.115  -4.314   6.286
  122    HE2  LYS  14           2HE      LYS  14   1.874  -4.773   3.980
  123    HE3  LYS  14           1HE      LYS  14   1.445  -3.059   4.137
  124    HZ1  LYS  14           3HZ      LYS  14   4.197  -4.091   4.540
  125    HZ2  LYS  14           1HZ      LYS  14   3.711  -2.471   4.407
  126    HZ3  LYS  14           2HZ      LYS  14   3.645  -3.490   3.050
  127    H    THR  15           H        THR  15  -3.224  -3.858   5.135
  128    HA   THR  15           HA       THR  15  -4.533  -6.246   5.781
  129    HB   THR  15           HB       THR  15  -5.374  -3.766   4.293
  130    HG1  THR  15           HG1      THR  15  -6.657  -3.737   6.345
  131   HG21  THR  15          3HG2      THR  15  -7.189  -4.849   3.528
  132   HG22  THR  15          1HG2      THR  15  -7.672  -5.101   5.206
  133   HG23  THR  15          2HG2      THR  15  -6.716  -6.327   4.369
  134    H    ILE  16           H        ILE  16  -5.297  -4.916   2.608
  135    HA   ILE  16           HA       ILE  16  -5.897  -7.283   1.295
  136    HB   ILE  16           HB       ILE  16  -5.471  -6.008  -0.740
  137   HG12  ILE  16          2HG1      ILE  16  -4.323  -3.612   0.274
  138   HG13  ILE  16          1HG1      ILE  16  -3.324  -4.948   0.843
  139   HG21  ILE  16          1HG2      ILE  16  -6.908  -5.016   1.519
  140   HG22  ILE  16          2HG2      ILE  16  -7.244  -4.742  -0.189
  141   HG23  ILE  16          3HG2      ILE  16  -6.185  -3.638   0.689
  142   HD11  ILE  16          3HD1      ILE  16  -3.343  -5.830  -1.541
  143   HD12  ILE  16          1HD1      ILE  16  -2.457  -4.323  -1.305
  144   HD13  ILE  16          2HD1      ILE  16  -4.072  -4.295  -2.014
  145    H    HIS  17           H        HIS  17  -2.730  -6.065   2.178
  146    HA   HIS  17           HA       HIS  17  -1.183  -7.780   0.415
  147    HB2  HIS  17           2HB      HIS  17  -0.223  -5.767   1.319
  148    HB3  HIS  17           1HB      HIS  17  -0.653  -6.233   2.962
  149    HD1  HIS  17           HD1      HIS  17   2.263  -5.931   1.157
  150    HD2  HIS  17           HD2      HIS  17   0.645  -9.161   3.235
  151    HE1  HIS  17           HE1      HIS  17   4.193  -7.488   1.673
  152    H    ARG  18           H        ARG  18  -2.575  -8.048   3.643
  153    HA   ARG  18           HA       ARG  18  -1.154 -10.518   4.293
  154    HB2  ARG  18           2HB      ARG  18  -1.908  -8.998   6.024
  155    HB3  ARG  18           1HB      ARG  18  -3.568  -9.074   5.428
  156    HG2  ARG  18           2HG      ARG  18  -2.228 -11.641   6.143
  157    HG3  ARG  18           1HG      ARG  18  -2.758 -10.596   7.463
  158    HD2  ARG  18           2HD      ARG  18  -4.985 -10.487   5.947
  159    HD3  ARG  18           1HD      ARG  18  -4.399 -12.091   5.468
  160    HE   ARG  18           HE       ARG  18  -4.861 -11.281   8.315
  161   HH11  ARG  18          1HH1      ARG  18  -5.891 -13.322   5.883
  162   HH12  ARG  18          2HH1      ARG  18  -5.789 -14.781   6.811
  163   HH21  ARG  18          1HH2      ARG  18  -4.169 -13.280   9.485
  164   HH22  ARG  18          2HH2      ARG  18  -4.813 -14.758   8.850
  165    H    LEU  19           H        LEU  19  -3.983  -9.707   2.462
  166    HA   LEU  19           HA       LEU  19  -5.212 -12.366   2.780
  167    HB2  LEU  19           2HB      LEU  19  -5.787  -9.844   1.226
  168    HB3  LEU  19           1HB      LEU  19  -6.734 -11.310   0.970
  169    HG   LEU  19           HG       LEU  19  -6.897 -11.277   3.611
  170   HD11  LEU  19          1HD1      LEU  19  -5.340  -9.291   3.725
  171   HD12  LEU  19          2HD1      LEU  19  -6.881  -9.053   4.548
  172   HD13  LEU  19          3HD1      LEU  19  -6.607  -8.332   2.962
  173   HD21  LEU  19          3HD2      LEU  19  -8.703 -10.954   1.780
  174   HD22  LEU  19          1HD2      LEU  19  -8.516  -9.229   2.094
  175   HD23  LEU  19          2HD2      LEU  19  -9.047 -10.308   3.385
  176    H    VAL  20           H        VAL  20  -3.127 -10.692   0.516
  177    HA   VAL  20           HA       VAL  20  -3.450 -12.566  -1.681
  178    HB   VAL  20           HB       VAL  20  -1.749 -11.281  -2.684
  179   HG11  VAL  20          1HG1      VAL  20  -3.651  -9.927  -1.209
  180   HG12  VAL  20          2HG1      VAL  20  -2.616  -9.219  -2.450
  181   HG13  VAL  20          3HG1      VAL  20  -2.142  -9.141  -0.752
  182   HG21  VAL  20          3HG2      VAL  20  -0.062 -10.006  -1.257
  183   HG22  VAL  20          1HG2      VAL  20   0.088 -11.763  -1.217
  184   HG23  VAL  20          2HG2      VAL  20  -0.681 -10.914   0.121
  185    H    THR  21           H        THR  21  -1.361 -12.285   1.134
  186    HA   THR  21           HA       THR  21   0.221 -14.607   0.323
  187    HB   THR  21           HB       THR  21   1.195 -14.010   2.709
  188    HG1  THR  21           HG1      THR  21   0.763 -11.746   3.079
  189   HG21  THR  21          3HG2      THR  21   1.589 -12.989   0.039
  190   HG22  THR  21          1HG2      THR  21   2.785 -13.270   1.304
  191   HG23  THR  21          2HG2      THR  21   1.933 -11.728   1.222
  192    H    GLY  22           HN       GLY  22  -1.964 -13.699   2.986
  193    HA2  GLY  22           2HA      GLY  22  -1.949 -16.358   4.157
  194    HA3  GLY  22           1HA      GLY  22  -3.049 -15.047   4.589
  Start of MODEL    9
    1    H1   PHE   1           1HT      PHE   1  -5.004   9.658  -7.866
    2    H2   PHE   1           2HT      PHE   1  -3.922   9.803  -9.168
    3    H3   PHE   1           3HT      PHE   1  -5.185  10.924  -8.980
    4    HA   PHE   1           HA       PHE   1  -2.758  10.625  -7.296
    5    HB2  PHE   1           2HB      PHE   1  -3.698  12.246  -9.508
    6    HB3  PHE   1           1HB      PHE   1  -3.328  13.262  -8.115
    7    HD1  PHE   1           HD2      PHE   1  -1.953  10.652 -10.380
    8    HD2  PHE   1           HD1      PHE   1  -1.081  13.615  -7.394
    9    HE1  PHE   1           HE2      PHE   1   0.472  10.397 -10.834
   10    HE2  PHE   1           HE1      PHE   1   1.344  13.359  -7.849
   11    HZ   PHE   1           HZ       PHE   1   2.120  11.750  -9.568
   12    H    PHE   2           H        PHE   2  -6.095  10.983  -7.109
   13    HA   PHE   2           HA       PHE   2  -6.412  13.130  -5.239
   14    HB2  PHE   2           2HB      PHE   2  -7.988  11.349  -6.641
   15    HB3  PHE   2           1HB      PHE   2  -8.210  10.814  -4.975
   16    HD1  PHE   2           HD2      PHE   2  -8.491  12.840  -3.229
   17    HD2  PHE   2           HD1      PHE   2  -9.404  13.024  -7.421
   18    HE1  PHE   2           HE2      PHE   2 -10.012  14.754  -2.813
   19    HE2  PHE   2           HE1      PHE   2 -10.925  14.938  -7.006
   20    HZ   PHE   2           HZ       PHE   2 -11.229  15.804  -4.702
   21    H    HIS   3           H        HIS   3  -4.999  10.016  -4.886
   22    HA   HIS   3           HA       HIS   3  -5.595   9.663  -2.044
   23    HB2  HIS   3           2HB      HIS   3  -3.910   8.371  -4.167
   24    HB3  HIS   3           1HB      HIS   3  -3.622   7.953  -2.478
   25    HD1  HIS   3           HD1      HIS   3  -6.897   8.581  -4.339
   26    HD2  HIS   3           HD2      HIS   3  -5.030   5.607  -2.090
   27    HE1  HIS   3           HE1      HIS   3  -8.584   6.710  -4.083
   28    H    HIS   4           H        HIS   4  -3.191  11.343  -3.924
   29    HA   HIS   4           HA       HIS   4  -1.275  11.524  -1.681
   30    HB2  HIS   4           2HB      HIS   4  -1.431  12.348  -4.566
   31    HB3  HIS   4           1HB      HIS   4  -0.219  13.095  -3.525
   32    HD1  HIS   4           HD1      HIS   4  -0.858   9.758  -2.324
   33    HD2  HIS   4           HD2      HIS   4   1.502  11.383  -5.352
   34    HE1  HIS   4           HE1      HIS   4   0.851   7.988  -2.929
   35    H    ILE   5           H        ILE   5  -3.891  13.367  -3.069
   36    HA   ILE   5           HA       ILE   5  -3.132  15.980  -2.117
   37    HB   ILE   5           HB       ILE   5  -5.425  16.516  -2.701
   38   HG12  ILE   5          2HG1      ILE   5  -6.555  14.023  -3.395
   39   HG13  ILE   5          1HG1      ILE   5  -5.869  13.807  -1.789
   40   HG21  ILE   5          1HG2      ILE   5  -4.851  14.280  -4.607
   41   HG22  ILE   5          2HG2      ILE   5  -3.670  15.582  -4.462
   42   HG23  ILE   5          3HG2      ILE   5  -5.327  15.944  -4.945
   43   HD11  ILE   5          3HD1      ILE   5  -8.144  14.617  -1.545
   44   HD12  ILE   5          1HD1      ILE   5  -7.824  15.959  -2.645
   45   HD13  ILE   5          2HD1      ILE   5  -7.038  15.906  -1.067
   46    H    PHE   6           H        PHE   6  -4.581  13.189  -0.590
   47    HA   PHE   6           HA       PHE   6  -5.100  14.825   1.874
   48    HB2  PHE   6           2HB      PHE   6  -6.757  13.167   0.347
   49    HB3  PHE   6           1HB      PHE   6  -6.329  12.181   1.745
   50    HD1  PHE   6           HD1      PHE   6  -7.777  15.437   0.689
   51    HD2  PHE   6           HD2      PHE   6  -7.162  12.684   3.930
   52    HE1  PHE   6           HE1      PHE   6  -9.362  16.731   2.090
   53    HE2  PHE   6           HE2      PHE   6  -8.747  13.978   5.330
   54    HZ   PHE   6           HZ       PHE   6  -9.848  16.003   4.411
   55    H    ARG   7           H        ARG   7  -4.681  11.326   1.277
   56    HA   ARG   7           HA       ARG   7  -2.147  11.262   2.775
   57    HB2  ARG   7           2HB      ARG   7  -3.033  10.072   4.668
   58    HB3  ARG   7           1HB      ARG   7  -4.081  11.471   4.428
   59    HG2  ARG   7           2HG      ARG   7  -5.705   9.847   4.576
   60    HG3  ARG   7           1HG      ARG   7  -5.374   9.732   2.848
   61    HD2  ARG   7           2HD      ARG   7  -4.177   7.744   3.070
   62    HD3  ARG   7           1HD      ARG   7  -3.728   8.087   4.753
   63    HE   ARG   7           HE       ARG   7  -6.613   7.714   4.189
   64   HH11  ARG   7          1HH1      ARG   7  -3.632   6.237   5.040
   65   HH12  ARG   7          2HH1      ARG   7  -4.345   5.114   6.149
   66   HH21  ARG   7          1HH2      ARG   7  -7.551   6.384   5.786
   67   HH22  ARG   7          2HH2      ARG   7  -6.564   5.197   6.572
   68    HA   PRO   8           HA       PRO   8  -2.234   7.390   0.628
   69    HB2  PRO   8           2HB      PRO   8   0.126   6.335   1.520
   70    HB3  PRO   8           1HB      PRO   8   0.046   7.734   0.431
   71    HG2  PRO   8           2HG      PRO   8   0.496   7.648   3.369
   72    HG3  PRO   8           1HG      PRO   8   1.241   8.684   2.142
   73    HD2  PRO   8           2HD      PRO   8  -0.754   9.519   3.793
   74    HD3  PRO   8           1HD      PRO   8  -0.485  10.183   2.168
   75    H    ILE   9           H        ILE   9  -3.473   5.604   1.058
   76    HA   ILE   9           HA       ILE   9  -3.937   4.630   3.749
   77    HB   ILE   9           HB       ILE   9  -5.225   2.887   2.468
   78   HG12  ILE   9          2HG1      ILE   9  -5.026   4.084  -0.124
   79   HG13  ILE   9          1HG1      ILE   9  -3.395   3.689   0.421
   80   HG21  ILE   9          1HG2      ILE   9  -6.405   4.898   2.973
   81   HG22  ILE   9          2HG2      ILE   9  -6.698   4.597   1.260
   82   HG23  ILE   9          3HG2      ILE   9  -5.519   5.811   1.752
   83   HD11  ILE   9          3HD1      ILE   9  -3.852   1.412   0.581
   84   HD12  ILE   9          1HD1      ILE   9  -4.846   1.861  -0.805
   85   HD13  ILE   9          2HD1      ILE   9  -5.585   1.670   0.785
   86    H    VAL  10           H        VAL  10  -1.264   4.463   3.693
   87    HA   VAL  10           HA       VAL  10  -0.086   2.120   2.545
   88    HB   VAL  10           HB       VAL  10   1.121   4.104   3.412
   89   HG11  VAL  10          1HG1      VAL  10   0.483   3.049   6.175
   90   HG12  VAL  10          2HG1      VAL  10  -0.459   4.330   5.409
   91   HG13  VAL  10          3HG1      VAL  10   1.254   4.578   5.751
   92   HG21  VAL  10          3HG2      VAL  10   2.321   2.234   5.250
   93   HG22  VAL  10          1HG2      VAL  10   2.900   2.743   3.665
   94   HG23  VAL  10          2HG2      VAL  10   1.795   1.376   3.802
   95    H    HIS  11           H        HIS  11  -1.609   2.702   5.719
   96    HA   HIS  11           HA       HIS  11  -1.028   0.396   7.129
   97    HB2  HIS  11           2HB      HIS  11  -2.490   2.271   7.851
   98    HB3  HIS  11           1HB      HIS  11  -3.750   1.687   6.765
   99    HD1  HIS  11           HD1      HIS  11  -3.150   1.641  10.171
  100    HD2  HIS  11           HD2      HIS  11  -3.946  -1.430   7.466
  101    HE1  HIS  11           HE1      HIS  11  -4.010  -0.311  11.536
  102    H    VAL  12           H        VAL  12  -4.149   0.458   5.428
  103    HA   VAL  12           HA       VAL  12  -4.441  -2.323   5.266
  104    HB   VAL  12           HB       VAL  12  -5.828  -1.657   3.147
  105   HG11  VAL  12          1HG1      VAL  12  -6.504  -0.325   5.770
  106   HG12  VAL  12          2HG1      VAL  12  -6.569  -2.075   5.547
  107   HG13  VAL  12          3HG1      VAL  12  -7.614  -1.022   4.589
  108   HG21  VAL  12          3HG2      VAL  12  -4.375   0.709   3.523
  109   HG22  VAL  12          1HG2      VAL  12  -5.980   1.076   4.157
  110   HG23  VAL  12          2HG2      VAL  12  -5.796   0.512   2.497
  111    H    GLY  13           H        GLY  13  -2.309  -0.264   3.465
  112    HA2  GLY  13           2HA      GLY  13  -1.882  -1.617   1.063
  113    HA3  GLY  13           1HA      GLY  13  -0.554  -0.931   2.012
  114    H    LYS  14           H        LYS  14  -0.821  -2.471   4.324
  115    HA   LYS  14           HA       LYS  14   0.388  -5.010   3.479
  116    HB2  LYS  14           2HB      LYS  14  -0.347  -3.846   6.194
  117    HB3  LYS  14           1HB      LYS  14   0.696  -5.242   5.930
  118    HG2  LYS  14           2HG      LYS  14   2.201  -3.753   4.552
  119    HG3  LYS  14           1HG      LYS  14   1.223  -2.383   5.085
  120    HD2  LYS  14           2HD      LYS  14   1.845  -3.879   7.410
  121    HD3  LYS  14           1HD      LYS  14   3.344  -3.728   6.493
  122    HE2  LYS  14           2HE      LYS  14   3.491  -1.665   7.469
  123    HE3  LYS  14           1HE      LYS  14   2.258  -1.186   6.285
  124    HZ1  LYS  14           3HZ      LYS  14   0.639  -2.249   7.963
  125    HZ2  LYS  14           1HZ      LYS  14   1.237  -0.695   8.289
  126    HZ3  LYS  14           2HZ      LYS  14   1.898  -2.042   9.085
  127    H    THR  15           H        THR  15  -2.672  -3.812   4.806
  128    HA   THR  15           HA       THR  15  -3.869  -6.202   5.674
  129    HB   THR  15           HB       THR  15  -4.941  -3.774   4.235
  130    HG1  THR  15           HG1      THR  15  -4.137  -4.042   6.585
  131   HG21  THR  15          3HG2      THR  15  -7.040  -5.136   5.547
  132   HG22  THR  15          1HG2      THR  15  -6.195  -6.345   4.577
  133   HG23  THR  15          2HG2      THR  15  -6.843  -4.893   3.811
  134    H    ILE  16           H        ILE  16  -5.011  -4.913   2.593
  135    HA   ILE  16           HA       ILE  16  -5.819  -7.232   1.347
  136    HB   ILE  16           HB       ILE  16  -6.093  -5.077   0.322
  137   HG12  ILE  16          2HG1      ILE  16  -5.430  -5.525  -1.948
  138   HG13  ILE  16          1HG1      ILE  16  -4.104  -6.556  -1.410
  139   HG21  ILE  16          1HG2      ILE  16  -4.457  -3.521   0.148
  140   HG22  ILE  16          2HG2      ILE  16  -3.318  -4.681  -0.537
  141   HG23  ILE  16          3HG2      ILE  16  -3.529  -4.579   1.210
  142   HD11  ILE  16          3HD1      ILE  16  -5.611  -8.231  -0.602
  143   HD12  ILE  16          1HD1      ILE  16  -6.192  -7.783  -2.205
  144   HD13  ILE  16          2HD1      ILE  16  -6.998  -7.156  -0.767
  145    H    HIS  17           H        HIS  17  -2.498  -6.057   1.681
  146    HA   HIS  17           HA       HIS  17  -1.239  -7.922  -0.054
  147    HB2  HIS  17           2HB      HIS  17   0.024  -6.079   0.701
  148    HB3  HIS  17           1HB      HIS  17  -0.458  -6.324   2.376
  149    HD1  HIS  17           HD1      HIS  17   2.489  -6.500   0.622
  150    HD2  HIS  17           HD2      HIS  17   0.500  -9.351   2.919
  151    HE1  HIS  17           HE1      HIS  17   4.237  -8.195   1.323
  152    H    ARG  18           H        ARG  18  -2.158  -8.130   3.380
  153    HA   ARG  18           HA       ARG  18  -0.921 -10.689   3.861
  154    HB2  ARG  18           2HB      ARG  18  -2.018 -10.493   5.928
  155    HB3  ARG  18           1HB      ARG  18  -1.932  -8.819   5.391
  156    HG2  ARG  18           2HG      ARG  18  -4.158  -8.903   5.930
  157    HG3  ARG  18           1HG      ARG  18  -4.243  -9.430   4.253
  158    HD2  ARG  18           2HD      ARG  18  -4.974 -11.494   4.848
  159    HD3  ARG  18           1HD      ARG  18  -3.708 -11.655   6.081
  160    HE   ARG  18           HE       ARG  18  -5.183 -10.667   7.683
  161   HH11  ARG  18          1HH1      ARG  18  -6.183  -8.542   5.695
  162   HH12  ARG  18          2HH1      ARG  18  -7.867  -8.940   5.624
  163   HH21  ARG  18          1HH2      ARG  18  -7.463 -12.066   7.069
  164   HH22  ARG  18          2HH2      ARG  18  -8.592 -10.935   6.400
  165    H    LEU  19           H        LEU  19  -3.967  -9.709   2.457
  166    HA   LEU  19           HA       LEU  19  -5.378 -12.183   2.587
  167    HB2  LEU  19           2HB      LEU  19  -5.481  -9.620   1.195
  168    HB3  LEU  19           1HB      LEU  19  -6.059 -10.941   0.179
  169    HG   LEU  19           HG       LEU  19  -7.082 -11.237   2.865
  170   HD11  LEU  19          1HD1      LEU  19  -6.988  -8.889   3.182
  171   HD12  LEU  19          2HD1      LEU  19  -8.635  -9.192   2.627
  172   HD13  LEU  19          3HD1      LEU  19  -7.427  -8.563   1.505
  173   HD21  LEU  19          3HD2      LEU  19  -7.852 -11.629   0.177
  174   HD22  LEU  19          1HD2      LEU  19  -9.030 -10.505   0.855
  175   HD23  LEU  19          2HD2      LEU  19  -8.764 -12.072   1.619
  176    H    VAL  20           H        VAL  20  -3.590 -10.848  -0.171
  177    HA   VAL  20           HA       VAL  20  -3.577 -13.046  -1.892
  178    HB   VAL  20           HB       VAL  20  -1.780 -11.975  -2.949
  179   HG11  VAL  20          1HG1      VAL  20  -2.228  -9.699  -1.090
  180   HG12  VAL  20          2HG1      VAL  20  -3.622 -10.326  -1.969
  181   HG13  VAL  20          3HG1      VAL  20  -2.220  -9.720  -2.854
  182   HG21  VAL  20          3HG2      VAL  20  -0.081 -10.630  -1.505
  183   HG22  VAL  20          1HG2      VAL  20   0.028 -12.391  -1.495
  184   HG23  VAL  20          2HG2      VAL  20  -0.742 -11.548  -0.153
  185    H    THR  21           H        THR  21  -1.737 -12.535   1.051
  186    HA   THR  21           HA       THR  21  -0.128 -14.935   0.677
  187    HB   THR  21           HB       THR  21  -0.301 -13.576   3.305
  188    HG1  THR  21           HG1      THR  21   0.915 -11.796   2.322
  189   HG21  THR  21          3HG2      THR  21   2.272 -13.400   2.329
  190   HG22  THR  21          1HG2      THR  21   1.672 -14.871   1.563
  191   HG23  THR  21          2HG2      THR  21   1.651 -14.720   3.320
  192    H    GLY  22           HN       GLY  22  -2.360 -13.879   3.256
  193    HA2  GLY  22           2HA      GLY  22  -4.294 -15.372   3.821
  194    HA3  GLY  22           1HA      GLY  22  -3.210 -16.736   3.547
  Start of MODEL   10
    1    H1   PHE   1           1HT      PHE   1  -3.173  16.016   3.942
    2    H2   PHE   1           2HT      PHE   1  -2.695  17.644   4.033
    3    H3   PHE   1           3HT      PHE   1  -1.648  16.485   3.364
    4    HA   PHE   1           HA       PHE   1  -4.198  17.488   2.209
    5    HB2  PHE   1           2HB      PHE   1  -2.359  18.964   1.854
    6    HB3  PHE   1           1HB      PHE   1  -1.243  17.626   1.581
    7    HD1  PHE   1           HD2      PHE   1  -4.290  19.279   0.183
    8    HD2  PHE   1           HD1      PHE   1  -0.880  16.783  -0.592
    9    HE1  PHE   1           HE2      PHE   1  -4.781  19.360  -2.247
   10    HE2  PHE   1           HE1      PHE   1  -1.372  16.865  -3.022
   11    HZ   PHE   1           HZ       PHE   1  -3.323  18.153  -3.848
   12    H    PHE   2           H        PHE   2  -1.367  15.488   1.285
   13    HA   PHE   2           HA       PHE   2  -2.694  13.971  -0.714
   14    HB2  PHE   2           2HB      PHE   2  -0.261  14.122  -0.427
   15    HB3  PHE   2           1HB      PHE   2  -0.374  13.290   1.123
   16    HD1  PHE   2           HD1      PHE   2  -2.570  12.347  -1.658
   17    HD2  PHE   2           HD2      PHE   2   1.112  11.470   0.372
   18    HE1  PHE   2           HE1      PHE   2  -2.451  10.160  -2.821
   19    HE2  PHE   2           HE2      PHE   2   1.232   9.283  -0.791
   20    HZ   PHE   2           HZ       PHE   2  -0.550   8.627  -2.388
   21    H    HIS   3           H        HIS   3  -2.743  13.688   2.771
   22    HA   HIS   3           HA       HIS   3  -3.810  10.943   2.757
   23    HB2  HIS   3           2HB      HIS   3  -2.286  12.124   4.488
   24    HB3  HIS   3           1HB      HIS   3  -3.760  12.916   5.046
   25    HD1  HIS   3           HD1      HIS   3  -5.637  10.396   4.531
   26    HD2  HIS   3           HD2      HIS   3  -2.073  10.365   6.693
   27    HE1  HIS   3           HE1      HIS   3  -5.761   8.403   6.088
   28    H    HIS   4           H        HIS   4  -5.086  14.018   2.192
   29    HA   HIS   4           HA       HIS   4  -7.728  13.470   3.420
   30    HB2  HIS   4           2HB      HIS   4  -6.364  15.762   2.020
   31    HB3  HIS   4           1HB      HIS   4  -8.108  15.788   2.270
   32    HD1  HIS   4           HD1      HIS   4  -6.702  13.962   5.011
   33    HD2  HIS   4           HD2      HIS   4  -7.073  18.015   4.103
   34    HE1  HIS   4           HE1      HIS   4  -6.408  15.216   7.193
   35    H    ILE   5           H        ILE   5  -6.165  13.520   0.262
   36    HA   ILE   5           HA       ILE   5  -8.685  13.304  -1.226
   37    HB   ILE   5           HB       ILE   5  -7.205  13.310  -3.125
   38   HG12  ILE   5          2HG1      ILE   5  -5.061  12.577  -1.112
   39   HG13  ILE   5          1HG1      ILE   5  -5.662  11.567  -2.425
   40   HG21  ILE   5          1HG2      ILE   5  -6.604  15.452  -2.762
   41   HG22  ILE   5          2HG2      ILE   5  -5.395  14.963  -1.576
   42   HG23  ILE   5          3HG2      ILE   5  -7.066  15.227  -1.075
   43   HD11  ILE   5          3HD1      ILE   5  -4.923  13.866  -3.744
   44   HD12  ILE   5          1HD1      ILE   5  -3.935  12.412  -3.610
   45   HD13  ILE   5          2HD1      ILE   5  -3.698  13.745  -2.480
   46    H    PHE   6           H        PHE   6  -5.955  11.132  -0.409
   47    HA   PHE   6           HA       PHE   6  -7.682   8.823  -1.240
   48    HB2  PHE   6           2HB      PHE   6  -5.134   9.677  -2.079
   49    HB3  PHE   6           1HB      PHE   6  -4.837   8.279  -1.044
   50    HD1  PHE   6           HD2      PHE   6  -5.957   6.096  -1.535
   51    HD2  PHE   6           HD1      PHE   6  -6.200   9.446  -4.212
   52    HE1  PHE   6           HE2      PHE   6  -6.712   4.587  -3.352
   53    HE2  PHE   6           HE1      PHE   6  -6.956   7.936  -6.031
   54    HZ   PHE   6           HZ       PHE   6  -7.212   5.507  -5.600
   55    H    ARG   7           H        ARG   7  -6.878   6.743  -0.038
   56    HA   ARG   7           HA       ARG   7  -6.979   7.307   2.862
   57    HB2  ARG   7           2HB      ARG   7  -7.480   4.913   2.966
   58    HB3  ARG   7           1HB      ARG   7  -8.420   5.638   1.666
   59    HG2  ARG   7           2HG      ARG   7  -7.211   4.591   0.015
   60    HG3  ARG   7           1HG      ARG   7  -5.723   4.581   0.963
   61    HD2  ARG   7           2HD      ARG   7  -6.156   2.405   1.437
   62    HD3  ARG   7           1HD      ARG   7  -7.535   2.965   2.404
   63    HE   ARG   7           HE       ARG   7  -7.724   1.740  -0.206
   64   HH11  ARG   7          1HH1      ARG   7  -9.696   2.464   2.219
   65   HH12  ARG   7          2HH1      ARG   7 -10.949   3.232   1.303
   66   HH21  ARG   7          1HH2      ARG   7  -9.046   3.489  -1.584
   67   HH22  ARG   7          2HH2      ARG   7 -10.580   3.813  -0.850
   68    HA   PRO   8           HA       PRO   8  -2.776   6.342   3.607
   69    HB2  PRO   8           2HB      PRO   8  -2.766   4.652   5.756
   70    HB3  PRO   8           1HB      PRO   8  -3.158   6.379   5.887
   71    HG2  PRO   8           2HG      PRO   8  -4.964   4.025   5.842
   72    HG3  PRO   8           1HG      PRO   8  -5.094   5.535   6.757
   73    HD2  PRO   8           2HD      PRO   8  -6.521   4.981   4.492
   74    HD3  PRO   8           1HD      PRO   8  -6.152   6.619   5.057
   75    H    ILE   9           H        ILE   9  -1.587   5.088   2.232
   76    HA   ILE   9           HA       ILE   9  -2.449   2.483   1.312
   77    HB   ILE   9           HB       ILE   9   0.310   3.705   1.115
   78   HG12  ILE   9          2HG1      ILE   9  -1.230   4.455  -1.130
   79   HG13  ILE   9          1HG1      ILE   9  -2.220   4.835   0.280
   80   HG21  ILE   9          1HG2      ILE   9  -0.457   1.353   0.191
   81   HG22  ILE   9          2HG2      ILE   9   0.544   2.410  -0.804
   82   HG23  ILE   9          3HG2      ILE   9  -1.196   2.324  -1.082
   83   HD11  ILE   9          3HD1      ILE   9   0.695   5.592   0.202
   84   HD12  ILE   9          1HD1      ILE   9  -0.597   6.280   1.185
   85   HD13  ILE   9          2HD1      ILE   9  -0.524   6.626  -0.543
   86    H    VAL  10           H        VAL  10   0.468   3.448   3.167
   87    HA   VAL  10           HA       VAL  10   1.576   1.022   3.815
   88    HB   VAL  10           HB       VAL  10   2.229   3.363   4.540
   89   HG11  VAL  10          1HG1      VAL  10   1.309   4.203   6.638
   90   HG12  VAL  10          2HG1      VAL  10   0.288   2.773   6.795
   91   HG13  VAL  10          3HG1      VAL  10  -0.007   3.930   5.498
   92   HG21  VAL  10          3HG2      VAL  10   2.887   0.930   5.604
   93   HG22  VAL  10          1HG2      VAL  10   2.321   1.784   7.040
   94   HG23  VAL  10          2HG2      VAL  10   3.643   2.450   6.082
   95    H    HIS  11           H        HIS  11  -1.310   2.434   5.375
   96    HA   HIS  11           HA       HIS  11  -1.651   0.406   7.364
   97    HB2  HIS  11           2HB      HIS  11  -2.737   2.643   7.318
   98    HB3  HIS  11           1HB      HIS  11  -3.692   2.136   5.925
   99    HD1  HIS  11           HD1      HIS  11  -4.881   2.895   8.791
  100    HD2  HIS  11           HD2      HIS  11  -4.263  -0.969   7.353
  101    HE1  HIS  11           HE1      HIS  11  -6.440   1.385  10.097
  102    H    VAL  12           H        VAL  12  -4.455   0.529   5.360
  103    HA   VAL  12           HA       VAL  12  -4.774  -2.227   5.137
  104    HB   VAL  12           HB       VAL  12  -6.012  -1.528   2.932
  105   HG11  VAL  12          1HG1      VAL  12  -7.882  -0.917   4.253
  106   HG12  VAL  12          2HG1      VAL  12  -6.863  -0.187   5.495
  107   HG13  VAL  12          3HG1      VAL  12  -6.896  -1.942   5.300
  108   HG21  VAL  12          3HG2      VAL  12  -4.548   0.801   3.393
  109   HG22  VAL  12          1HG2      VAL  12  -6.162   1.200   3.985
  110   HG23  VAL  12          2HG2      VAL  12  -5.942   0.656   2.322
  111    H    GLY  13           H        GLY  13  -2.559  -0.179   3.391
  112    HA2  GLY  13           2HA      GLY  13  -2.012  -1.589   1.051
  113    HA3  GLY  13           1HA      GLY  13  -0.731  -0.869   2.040
  114    H    LYS  14           H        LYS  14  -1.188  -2.367   4.388
  115    HA   LYS  14           HA       LYS  14   0.128  -4.906   3.685
  116    HB2  LYS  14           2HB      LYS  14  -0.126  -3.116   5.915
  117    HB3  LYS  14           1HB      LYS  14  -0.669  -4.714   6.430
  118    HG2  LYS  14           2HG      LYS  14   1.728  -4.552   6.800
  119    HG3  LYS  14           1HG      LYS  14   1.433  -5.680   5.475
  120    HD2  LYS  14           2HD      LYS  14   3.077  -4.379   4.503
  121    HD3  LYS  14           1HD      LYS  14   1.652  -3.458   4.017
  122    HE2  LYS  14           2HE      LYS  14   1.950  -1.894   5.843
  123    HE3  LYS  14           1HE      LYS  14   3.250  -2.884   6.537
  124    HZ1  LYS  14           3HZ      LYS  14   4.383  -1.320   5.258
  125    HZ2  LYS  14           1HZ      LYS  14   3.244  -1.364   4.002
  126    HZ3  LYS  14           2HZ      LYS  14   4.305  -2.672   4.232
  127    H    THR  15           H        THR  15  -3.013  -3.745   4.881
  128    HA   THR  15           HA       THR  15  -4.294  -6.100   5.631
  129    HB   THR  15           HB       THR  15  -5.219  -3.685   4.076
  130    HG1  THR  15           HG1      THR  15  -4.602  -3.736   6.402
  131   HG21  THR  15          3HG2      THR  15  -7.439  -4.998   5.228
  132   HG22  THR  15          1HG2      THR  15  -6.545  -6.228   4.333
  133   HG23  THR  15          2HG2      THR  15  -7.102  -4.769   3.511
  134    H    ILE  16           H        ILE  16  -4.906  -4.803   2.368
  135    HA   ILE  16           HA       ILE  16  -5.763  -7.117   1.107
  136    HB   ILE  16           HB       ILE  16  -5.731  -4.996  -0.029
  137   HG12  ILE  16          2HG1      ILE  16  -3.848  -7.028  -1.240
  138   HG13  ILE  16          1HG1      ILE  16  -5.558  -6.793  -1.594
  139   HG21  ILE  16          1HG2      ILE  16  -3.855  -3.646  -0.325
  140   HG22  ILE  16          2HG2      ILE  16  -2.740  -5.008  -0.240
  141   HG23  ILE  16          3HG2      ILE  16  -3.489  -4.389   1.231
  142   HD11  ILE  16          3HD1      ILE  16  -4.460  -4.300  -2.103
  143   HD12  ILE  16          1HD1      ILE  16  -4.863  -5.508  -3.322
  144   HD13  ILE  16          2HD1      ILE  16  -3.221  -5.411  -2.686
  145    H    HIS  17           H        HIS  17  -2.385  -6.034   1.500
  146    HA   HIS  17           HA       HIS  17  -1.106  -8.156   0.167
  147    HB2  HIS  17           2HB      HIS  17   0.083  -6.197   0.942
  148    HB3  HIS  17           1HB      HIS  17  -0.374  -6.522   2.614
  149    HD1  HIS  17           HD1      HIS  17   2.527  -6.672   0.762
  150    HD2  HIS  17           HD2      HIS  17   0.564  -9.569   3.028
  151    HE1  HIS  17           HE1      HIS  17   4.258  -8.431   1.329
  152    H    ARG  18           H        ARG  18  -2.482  -7.968   3.423
  153    HA   ARG  18           HA       ARG  18  -1.394 -10.466   4.375
  154    HB2  ARG  18           2HB      ARG  18  -2.269  -8.639   5.791
  155    HB3  ARG  18           1HB      ARG  18  -3.887  -8.917   5.143
  156    HG2  ARG  18           2HG      ARG  18  -2.398 -11.229   6.315
  157    HG3  ARG  18           1HG      ARG  18  -3.138 -10.060   7.412
  158    HD2  ARG  18           2HD      ARG  18  -4.919 -10.845   5.202
  159    HD3  ARG  18           1HD      ARG  18  -4.477 -12.194   6.270
  160    HE   ARG  18           HE       ARG  18  -5.382  -9.612   7.465
  161   HH11  ARG  18          1HH2      ARG  18  -4.737 -12.311   8.869
  162   HH12  ARG  18          2HH2      ARG  18  -6.341 -12.845   9.246
  163   HH21  ARG  18          1HH1      ARG  18  -7.878 -10.585   7.110
  164   HH22  ARG  18          2HH1      ARG  18  -8.121 -11.867   8.248
  165    H    LEU  19           H        LEU  19  -4.020  -9.682   2.238
  166    HA   LEU  19           HA       LEU  19  -5.377 -12.271   2.623
  167    HB2  LEU  19           2HB      LEU  19  -5.747  -9.776   0.993
  168    HB3  LEU  19           1HB      LEU  19  -6.664 -11.227   0.587
  169    HG   LEU  19           HG       LEU  19  -6.721 -10.748   3.444
  170   HD11  LEU  19          1HD1      LEU  19  -6.428  -8.373   2.430
  171   HD12  LEU  19          2HD1      LEU  19  -7.763  -8.635   3.554
  172   HD13  LEU  19          3HD1      LEU  19  -8.066  -8.596   1.816
  173   HD21  LEU  19          3HD2      LEU  19  -8.694 -11.765   3.055
  174   HD22  LEU  19          1HD2      LEU  19  -8.376 -11.685   1.322
  175   HD23  LEU  19          2HD2      LEU  19  -9.243 -10.373   2.121
  176    H    VAL  20           H        VAL  20  -3.760 -10.585  -0.044
  177    HA   VAL  20           HA       VAL  20  -3.723 -12.555  -2.015
  178    HB   VAL  20           HB       VAL  20  -1.950 -11.338  -2.948
  179   HG11  VAL  20          1HG1      VAL  20  -3.801  -9.844  -1.769
  180   HG12  VAL  20          2HG1      VAL  20  -2.403  -9.113  -2.562
  181   HG13  VAL  20          3HG1      VAL  20  -2.419  -9.323  -0.809
  182   HG21  VAL  20          3HG2      VAL  20  -0.282 -12.082  -1.262
  183   HG22  VAL  20          1HG2      VAL  20  -0.882 -10.854  -0.149
  184   HG23  VAL  20          2HG2      VAL  20  -0.097 -10.372  -1.651
  185    H    THR  21           H        THR  21  -1.618 -12.262   0.810
  186    HA   THR  21           HA       THR  21  -0.205 -14.729   0.169
  187    HB   THR  21           HB       THR  21  -0.133 -12.634   2.328
  188    HG1  THR  21           HG1      THR  21   0.934 -12.728   0.068
  189   HG21  THR  21          3HG2      THR  21   2.081 -14.247   2.757
  190   HG22  THR  21          1HG2      THR  21   0.776 -15.407   2.509
  191   HG23  THR  21          2HG2      THR  21   0.641 -14.185   3.774
  192    H    GLY  22           HN       GLY  22  -2.147 -13.597   2.943
  193    HA2  GLY  22           2HA      GLY  22  -3.741 -14.779   4.227
  194    HA3  GLY  22           1HA      GLY  22  -3.571 -16.139   3.116
  Start of MODEL   11
    1    H1   PHE   1           1HT      PHE   1  -3.884  12.574  15.523
    2    H2   PHE   1           2HT      PHE   1  -2.371  13.341  15.633
    3    H3   PHE   1           3HT      PHE   1  -2.833  12.195  16.799
    4    HA   PHE   1           HA       PHE   1  -1.235  11.575  14.787
    5    HB2  PHE   1           2HB      PHE   1  -3.330  10.152  16.389
    6    HB3  PHE   1           1HB      PHE   1  -2.449   9.237  15.164
    7    HD1  PHE   1           HD2      PHE   1   0.081   9.189  15.239
    8    HD2  PHE   1           HD1      PHE   1  -2.303  10.756  18.450
    9    HE1  PHE   1           HE2      PHE   1   2.020   8.999  16.772
   10    HE2  PHE   1           HE1      PHE   1  -0.363  10.567  19.983
   11    HZ   PHE   1           HZ       PHE   1   1.798   9.688  19.144
   12    H    PHE   2           H        PHE   2  -3.059  13.183  13.350
   13    HA   PHE   2           HA       PHE   2  -4.858  11.507  11.758
   14    HB2  PHE   2           2HB      PHE   2  -4.001  14.357  11.961
   15    HB3  PHE   2           1HB      PHE   2  -4.679  13.837  10.419
   16    HD1  PHE   2           HD2      PHE   2  -5.339  14.277  14.021
   17    HD2  PHE   2           HD1      PHE   2  -7.000  13.136  10.229
   18    HE1  PHE   2           HE2      PHE   2  -7.621  14.393  14.986
   19    HE2  PHE   2           HE1      PHE   2  -9.282  13.250  11.192
   20    HZ   PHE   2           HZ       PHE   2  -9.593  13.879  13.572
   21    H    HIS   3           H        HIS   3  -2.447  10.259  11.544
   22    HA   HIS   3           HA       HIS   3  -1.313  11.151   8.914
   23    HB2  HIS   3           2HB      HIS   3   0.339  11.145  10.645
   24    HB3  HIS   3           1HB      HIS   3  -0.231   9.599  11.277
   25    HD1  HIS   3           HD1      HIS   3   1.019  10.842   7.880
   26    HD2  HIS   3           HD2      HIS   3   1.422   7.570  10.431
   27    HE1  HIS   3           HE1      HIS   3   2.624   9.244   6.747
   28    H    HIS   4           H        HIS   4  -3.359   8.870  10.315
   29    HA   HIS   4           HA       HIS   4  -2.633   6.725   8.370
   30    HB2  HIS   4           2HB      HIS   4  -3.832   6.936  11.049
   31    HB3  HIS   4           1HB      HIS   4  -4.675   5.803   9.991
   32    HD1  HIS   4           HD1      HIS   4  -2.126   4.898   8.361
   33    HD2  HIS   4           HD2      HIS   4  -2.393   5.010  12.520
   34    HE1  HIS   4           HE1      HIS   4  -0.383   3.281   9.235
   35    H    ILE   5           H        ILE   5  -4.474   9.415   8.281
   36    HA   ILE   5           HA       ILE   5  -6.731   8.070   6.842
   37    HB   ILE   5           HB       ILE   5  -7.647  10.565   7.268
   38   HG12  ILE   5          2HG1      ILE   5  -5.410  11.106   8.441
   39   HG13  ILE   5          1HG1      ILE   5  -6.889  11.540   9.290
   40   HG21  ILE   5          1HG2      ILE   5  -8.867   8.654   7.993
   41   HG22  ILE   5          2HG2      ILE   5  -8.613   9.632   9.440
   42   HG23  ILE   5          3HG2      ILE   5  -7.616   8.206   9.154
   43   HD11  ILE   5          3HD1      ILE   5  -4.831  10.016  10.338
   44   HD12  ILE   5          1HD1      ILE   5  -6.016   8.801   9.857
   45   HD13  ILE   5          2HD1      ILE   5  -6.474  10.088  10.974
   46    H    PHE   6           H        PHE   6  -4.684  11.021   6.754
   47    HA   PHE   6           HA       PHE   6  -5.298  11.306   3.863
   48    HB2  PHE   6           2HB      PHE   6  -4.716  13.533   4.200
   49    HB3  PHE   6           1HB      PHE   6  -5.261  13.106   5.815
   50    HD1  PHE   6           HD2      PHE   6  -3.531  12.393   7.539
   51    HD2  PHE   6           HD1      PHE   6  -2.481  14.213   3.795
   52    HE1  PHE   6           HE2      PHE   6  -1.292  12.966   8.445
   53    HE2  PHE   6           HE1      PHE   6  -0.244  14.787   4.698
   54    HZ   PHE   6           HZ       PHE   6   0.350  14.162   7.023
   55    H    ARG   7           H        ARG   7  -2.876  12.516   3.047
   56    HA   ARG   7           HA       ARG   7  -0.743  11.909   2.209
   57    HB2  ARG   7           2HB      ARG   7  -0.917  11.471   4.999
   58    HB3  ARG   7           1HB      ARG   7  -0.055  10.084   4.343
   59    HG2  ARG   7           2HG      ARG   7   1.442  11.675   3.105
   60    HG3  ARG   7           1HG      ARG   7   0.642  13.007   3.938
   61    HD2  ARG   7           2HD      ARG   7   1.360  12.140   6.111
   62    HD3  ARG   7           1HD      ARG   7   2.084  10.721   5.328
   63    HE   ARG   7           HE       ARG   7   3.107  13.085   4.086
   64   HH11  ARG   7          1HH1      ARG   7   3.353  11.026   6.831
   65   HH12  ARG   7          2HH1      ARG   7   4.883  11.658   7.339
   66   HH21  ARG   7          1HH2      ARG   7   5.037  14.035   4.819
   67   HH22  ARG   7          2HH2      ARG   7   5.836  13.362   6.200
   68    HA   PRO   8           HA       PRO   8  -1.058   7.736   0.861
   69    HB2  PRO   8           2HB      PRO   8   1.312   6.409   1.214
   70    HB3  PRO   8           1HB      PRO   8   1.112   7.750   0.067
   71    HG2  PRO   8           2HG      PRO   8   2.286   7.755   2.799
   72    HG3  PRO   8           1HG      PRO   8   2.809   8.614   1.341
   73    HD2  PRO   8           2HD      PRO   8   1.427   9.802   3.344
   74    HD3  PRO   8           1HD      PRO   8   1.319  10.323   1.652
   75    H    ILE   9           H        ILE   9  -2.659   7.013   2.430
   76    HA   ILE   9           HA       ILE   9  -2.111   5.764   4.921
   77    HB   ILE   9           HB       ILE   9  -4.319   6.505   4.217
   78   HG12  ILE   9          2HG1      ILE   9  -4.214   3.478   4.438
   79   HG13  ILE   9          1HG1      ILE   9  -4.228   4.604   5.795
   80   HG21  ILE   9          1HG2      ILE   9  -4.852   6.228   2.043
   81   HG22  ILE   9          2HG2      ILE   9  -5.200   4.541   2.421
   82   HG23  ILE   9          3HG2      ILE   9  -3.603   5.001   1.833
   83   HD11  ILE   9          3HD1      ILE   9  -6.465   4.877   5.659
   84   HD12  ILE   9          1HD1      ILE   9  -6.470   3.500   4.558
   85   HD13  ILE   9          2HD1      ILE   9  -6.394   5.142   3.916
   86    H    VAL  10           H        VAL  10  -0.133   4.488   4.271
   87    HA   VAL  10           HA       VAL  10  -0.333   2.234   2.471
   88    HB   VAL  10           HB       VAL  10   1.740   3.456   3.211
   89   HG11  VAL  10          1HG1      VAL  10   2.148   3.707   5.409
   90   HG12  VAL  10          2HG1      VAL  10   2.218   1.956   5.607
   91   HG13  VAL  10          3HG1      VAL  10   0.680   2.802   5.774
   92   HG21  VAL  10          3HG2      VAL  10   2.881   1.095   3.919
   93   HG22  VAL  10          1HG2      VAL  10   2.440   1.493   2.259
   94   HG23  VAL  10          2HG2      VAL  10   1.360   0.511   3.248
   95    H    HIS  11           H        HIS  11  -1.721   2.768   5.493
   96    HA   HIS  11           HA       HIS  11  -1.440   0.486   7.035
   97    HB2  HIS  11           2HB      HIS  11  -2.883   2.404   7.561
   98    HB3  HIS  11           1HB      HIS  11  -3.981   1.951   6.258
   99    HD1  HIS  11           HD1      HIS  11  -4.122   1.861   9.668
  100    HD2  HIS  11           HD2      HIS  11  -4.424  -1.209   6.864
  101    HE1  HIS  11           HE1      HIS  11  -5.336  -0.041  10.817
  102    H    VAL  12           H        VAL  12  -4.369   0.584   5.044
  103    HA   VAL  12           HA       VAL  12  -4.699  -2.182   4.875
  104    HB   VAL  12           HB       VAL  12  -5.863  -1.522   2.626
  105   HG11  VAL  12          1HG1      VAL  12  -6.758  -0.121   5.142
  106   HG12  VAL  12          2HG1      VAL  12  -6.838  -1.875   4.957
  107   HG13  VAL  12          3HG1      VAL  12  -7.762  -0.828   3.875
  108   HG21  VAL  12          3HG2      VAL  12  -6.013   1.234   3.594
  109   HG22  VAL  12          1HG2      VAL  12  -5.739   0.641   1.956
  110   HG23  VAL  12          2HG2      VAL  12  -4.384   0.801   3.074
  111    H    GLY  13           H        GLY  13  -2.373  -0.198   3.225
  112    HA2  GLY  13           2HA      GLY  13  -1.767  -1.622   0.904
  113    HA3  GLY  13           1HA      GLY  13  -0.511  -0.932   1.943
  114    H    LYS  14           H        LYS  14  -1.018  -2.405   4.263
  115    HA   LYS  14           HA       LYS  14   0.229  -4.981   3.597
  116    HB2  LYS  14           2HB      LYS  14  -0.047  -3.171   5.828
  117    HB3  LYS  14           1HB      LYS  14  -0.556  -4.784   6.330
  118    HG2  LYS  14           2HG      LYS  14   1.548  -5.738   5.570
  119    HG3  LYS  14           1HG      LYS  14   2.050  -4.184   4.902
  120    HD2  LYS  14           2HD      LYS  14   1.288  -4.302   7.793
  121    HD3  LYS  14           1HD      LYS  14   2.857  -4.949   7.315
  122    HE2  LYS  14           2HE      LYS  14   3.703  -2.875   6.817
  123    HE3  LYS  14           1HE      LYS  14   2.157  -2.297   6.165
  124    HZ1  LYS  14           3HZ      LYS  14   3.047  -1.553   8.541
  125    HZ2  LYS  14           1HZ      LYS  14   2.230  -2.965   9.002
  126    HZ3  LYS  14           2HZ      LYS  14   1.392  -1.723   8.201
  127    H    THR  15           H        THR  15  -2.922  -3.714   4.627
  128    HA   THR  15           HA       THR  15  -4.252  -6.039   5.451
  129    HB   THR  15           HB       THR  15  -5.112  -3.642   3.837
  130    HG1  THR  15           HG1      THR  15  -5.561  -4.561   6.483
  131   HG21  THR  15          3HG2      THR  15  -6.988  -4.723   3.237
  132   HG22  THR  15          1HG2      THR  15  -7.383  -4.883   4.949
  133   HG23  THR  15          2HG2      THR  15  -6.489  -6.164   4.125
  134    H    ILE  16           H        ILE  16  -5.023  -4.868   2.198
  135    HA   ILE  16           HA       ILE  16  -5.765  -7.273   1.042
  136    HB   ILE  16           HB       ILE  16  -4.879  -6.146  -1.098
  137   HG12  ILE  16          2HG1      ILE  16  -4.502  -3.580   0.110
  138   HG13  ILE  16          1HG1      ILE  16  -3.407  -4.723   0.889
  139   HG21  ILE  16          1HG2      ILE  16  -7.006  -5.469   0.677
  140   HG22  ILE  16          2HG2      ILE  16  -6.935  -5.234  -1.070
  141   HG23  ILE  16          3HG2      ILE  16  -6.366  -3.965   0.014
  142   HD11  ILE  16          3HD1      ILE  16  -3.491  -3.814  -1.952
  143   HD12  ILE  16          1HD1      ILE  16  -3.023  -5.487  -1.648
  144   HD13  ILE  16          2HD1      ILE  16  -2.100  -4.169  -0.927
  145    H    HIS  17           H        HIS  17  -2.476  -6.083   1.632
  146    HA   HIS  17           HA       HIS  17  -1.066  -8.070   0.097
  147    HB2  HIS  17           2HB      HIS  17   0.018  -6.044   0.839
  148    HB3  HIS  17           1HB      HIS  17  -0.403  -6.373   2.520
  149    HD1  HIS  17           HD1      HIS  17   2.484  -6.381   0.635
  150    HD2  HIS  17           HD2      HIS  17   0.720  -9.352   2.971
  151    HE1  HIS  17           HE1      HIS  17   4.323  -8.022   1.217
  152    H    ARG  18           H        ARG  18  -2.419  -7.975   3.357
  153    HA   ARG  18           HA       ARG  18  -1.175 -10.485   4.186
  154    HB2  ARG  18           2HB      ARG  18  -1.801  -8.753   5.785
  155    HB3  ARG  18           1HB      ARG  18  -3.477  -8.805   5.231
  156    HG2  ARG  18           2HG      ARG  18  -2.282 -11.380   6.105
  157    HG3  ARG  18           1HG      ARG  18  -2.619 -10.197   7.370
  158    HD2  ARG  18           2HD      ARG  18  -4.945 -10.133   6.847
  159    HD3  ARG  18           1HD      ARG  18  -4.694 -10.943   5.286
  160    HE   ARG  18           HE       ARG  18  -4.083 -12.994   6.548
  161   HH11  ARG  18          1HH1      ARG  18  -3.821 -11.068   9.076
  162   HH12  ARG  18          2HH1      ARG  18  -5.092 -11.737  10.046
  163   HH21  ARG  18          1HH2      ARG  18  -6.466 -13.577   7.447
  164   HH22  ARG  18          2HH2      ARG  18  -6.589 -13.158   9.123
  165    H    LEU  19           H        LEU  19  -3.986  -9.560   2.372
  166    HA   LEU  19           HA       LEU  19  -5.410 -12.083   2.859
  167    HB2  LEU  19           2HB      LEU  19  -5.780  -9.659   1.095
  168    HB3  LEU  19           1HB      LEU  19  -6.866 -11.047   1.000
  169    HG   LEU  19           HG       LEU  19  -7.047 -10.777   3.587
  170   HD11  LEU  19          1HD1      LEU  19  -5.267  -9.163   3.894
  171   HD12  LEU  19          2HD1      LEU  19  -6.798  -8.366   4.261
  172   HD13  LEU  19          3HD1      LEU  19  -5.997  -8.072   2.717
  173   HD21  LEU  19          3HD2      LEU  19  -9.020  -9.557   3.279
  174   HD22  LEU  19          1HD2      LEU  19  -8.722 -10.165   1.650
  175   HD23  LEU  19          2HD2      LEU  19  -8.295  -8.505   2.063
  176    H    VAL  20           H        VAL  20  -3.154 -10.790   0.529
  177    HA   VAL  20           HA       VAL  20  -3.637 -12.837  -1.505
  178    HB   VAL  20           HB       VAL  20  -1.930 -11.699  -2.664
  179   HG11  VAL  20          1HG1      VAL  20  -3.747 -10.145  -1.286
  180   HG12  VAL  20          2HG1      VAL  20  -2.708  -9.585  -2.597
  181   HG13  VAL  20          3HG1      VAL  20  -2.204  -9.381  -0.918
  182   HG21  VAL  20          3HG2      VAL  20  -0.018 -12.028  -1.333
  183   HG22  VAL  20          1HG2      VAL  20  -0.765 -11.279   0.077
  184   HG23  VAL  20          2HG2      VAL  20  -0.232 -10.279  -1.273
  185    H    THR  21           H        THR  21  -1.608 -12.373   1.300
  186    HA   THR  21           HA       THR  21   0.032 -14.719   0.716
  187    HB   THR  21           HB       THR  21  -0.025 -13.119   3.266
  188    HG1  THR  21           HG1      THR  21   0.939 -12.387   0.715
  189   HG21  THR  21          3HG2      THR  21   2.476 -13.480   3.001
  190   HG22  THR  21          1HG2      THR  21   2.093 -14.562   1.663
  191   HG23  THR  21          2HG2      THR  21   1.528 -14.939   3.290
  192    H    GLY  22           HN       GLY  22  -2.301 -13.701   3.209
  193    HA2  GLY  22           2HA      GLY  22  -2.367 -16.418   4.350
  194    HA3  GLY  22           1HA      GLY  22  -3.268 -15.023   4.946
  Start of MODEL   12
    1    H1   PHE   1           1HT      PHE   1   6.528   0.735   8.143
    2    H2   PHE   1           2HT      PHE   1   6.867  -0.227   6.785
    3    H3   PHE   1           3HT      PHE   1   5.905   1.164   6.626
    4    HA   PHE   1           HA       PHE   1   8.811   1.076   7.261
    5    HB2  PHE   1           2HB      PHE   1   7.656   0.700   4.903
    6    HB3  PHE   1           1HB      PHE   1   7.471   2.453   4.956
    7    HD1  PHE   1           HD2      PHE   1   9.922   3.203   6.489
    8    HD2  PHE   1           HD1      PHE   1   9.365   0.397   3.284
    9    HE1  PHE   1           HE2      PHE   1  12.299   3.477   5.836
   10    HE2  PHE   1           HE1      PHE   1  11.743   0.670   2.631
   11    HZ   PHE   1           HZ       PHE   1  13.210   2.210   3.907
   12    H    PHE   2           H        PHE   2   6.370   3.439   6.115
   13    HA   PHE   2           HA       PHE   2   7.648   5.631   7.528
   14    HB2  PHE   2           2HB      PHE   2   4.876   5.449   6.316
   15    HB3  PHE   2           1HB      PHE   2   5.841   6.904   6.546
   16    HD1  PHE   2           HD2      PHE   2   8.255   6.830   5.441
   17    HD2  PHE   2           HD1      PHE   2   4.925   4.402   4.233
   18    HE1  PHE   2           HE2      PHE   2   9.312   6.482   3.225
   19    HE2  PHE   2           HE1      PHE   2   5.983   4.054   2.016
   20    HZ   PHE   2           HZ       PHE   2   8.176   5.094   1.513
   21    H    HIS   3           H        HIS   3   5.827   3.113   8.697
   22    HA   HIS   3           HA       HIS   3   3.894   4.316  10.407
   23    HB2  HIS   3           2HB      HIS   3   3.967   1.937   9.964
   24    HB3  HIS   3           1HB      HIS   3   5.602   1.817  10.615
   25    HD1  HIS   3           HD1      HIS   3   2.484   3.472  12.073
   26    HD2  HIS   3           HD2      HIS   3   5.292   0.550  13.048
   27    HE1  HIS   3           HE1      HIS   3   1.938   2.711  14.426
   28    H    HIS   4           H        HIS   4   7.320   4.472  10.494
   29    HA   HIS   4           HA       HIS   4   7.398   5.056  13.410
   30    HB2  HIS   4           2HB      HIS   4   9.129   3.927  11.410
   31    HB3  HIS   4           1HB      HIS   4   9.927   5.323  12.134
   32    HD1  HIS   4           HD1      HIS   4   8.456   4.913  14.972
   33    HD2  HIS   4           HD2      HIS   4  10.678   2.057  12.901
   34    HE1  HIS   4           HE1      HIS   4   9.240   3.228  16.693
   35    H    ILE   5           H        ILE   5   7.960   6.582  10.257
   36    HA   ILE   5           HA       ILE   5   8.708   9.147  11.520
   37    HB   ILE   5           HB       ILE   5   9.267   9.758   9.268
   38   HG12  ILE   5          2HG1      ILE   5   8.559   7.677   7.597
   39   HG13  ILE   5          1HG1      ILE   5   7.152   7.823   8.643
   40   HG21  ILE   5          1HG2      ILE   5  10.681   7.864   8.558
   41   HG22  ILE   5          2HG2      ILE   5   9.788   6.793   9.637
   42   HG23  ILE   5          3HG2      ILE   5  10.772   8.096  10.304
   43   HD11  ILE   5          3HD1      ILE   5   7.264   9.302   6.500
   44   HD12  ILE   5          1HD1      ILE   5   8.399  10.278   7.434
   45   HD13  ILE   5          2HD1      ILE   5   6.750  10.045   8.014
   46    H    PHE   6           H        PHE   6   5.931   7.632   9.987
   47    HA   PHE   6           HA       PHE   6   4.386  10.155  10.459
   48    HB2  PHE   6           2HB      PHE   6   5.137   9.005   7.994
   49    HB3  PHE   6           1HB      PHE   6   3.425   8.628   8.192
   50    HD1  PHE   6           HD2      PHE   6   2.052  10.723   9.301
   51    HD2  PHE   6           HD1      PHE   6   5.611  11.001   6.906
   52    HE1  PHE   6           HE2      PHE   6   1.471  13.060   8.706
   53    HE2  PHE   6           HE1      PHE   6   5.026  13.337   6.311
   54    HZ   PHE   6           HZ       PHE   6   2.957  14.366   7.211
   55    H    ARG   7           H        ARG   7   1.977   8.861   9.349
   56    HA   ARG   7           HA       ARG   7   1.207   7.340  11.751
   57    HB2  ARG   7           2HB      ARG   7   0.006   9.055   9.844
   58    HB3  ARG   7           1HB      ARG   7  -0.793   7.489   9.677
   59    HG2  ARG   7           2HG      ARG   7  -0.928   7.496  12.250
   60    HG3  ARG   7           1HG      ARG   7  -0.559   9.217  12.136
   61    HD2  ARG   7           2HD      ARG   7  -2.515   9.346  10.447
   62    HD3  ARG   7           1HD      ARG   7  -2.981   7.750  11.073
   63    HE   ARG   7           HE       ARG   7  -3.358  10.213  12.479
   64   HH11  ARG   7          1HH2      ARG   7  -4.711   7.656  13.219
   65   HH12  ARG   7          2HH2      ARG   7  -3.994   7.290  14.753
   66   HH21  ARG   7          1HH1      ARG   7  -1.331   9.469  14.328
   67   HH22  ARG   7          2HH1      ARG   7  -2.082   8.316  15.380
   68    HA   PRO   8           HA       PRO   8   0.990   3.706   9.193
   69    HB2  PRO   8           2HB      PRO   8  -1.289   2.414   9.964
   70    HB3  PRO   8           1HB      PRO   8   0.072   2.713  11.062
   71    HG2  PRO   8           2HG      PRO   8  -2.517   4.137  10.825
   72    HG3  PRO   8           1HG      PRO   8  -1.546   3.784  12.262
   73    HD2  PRO   8           2HD      PRO   8  -1.636   6.224  11.005
   74    HD3  PRO   8           1HD      PRO   8  -0.299   5.669  12.034
   75    H    ILE   9           H        ILE   9  -0.211   5.849   7.561
   76    HA   ILE   9           HA       ILE   9  -2.590   5.287   6.230
   77    HB   ILE   9           HB       ILE   9   0.113   6.164   5.165
   78   HG12  ILE   9          2HG1      ILE   9  -1.786   8.263   5.265
   79   HG13  ILE   9          1HG1      ILE   9  -1.922   7.400   6.798
   80   HG21  ILE   9          1HG2      ILE   9  -2.637   6.410   3.907
   81   HG22  ILE   9          2HG2      ILE   9  -1.332   5.374   3.330
   82   HG23  ILE   9          3HG2      ILE   9  -1.155   7.128   3.275
   83   HD11  ILE   9          3HD1      ILE   9   0.527   7.574   7.105
   84   HD12  ILE   9          1HD1      ILE   9  -0.216   9.166   6.955
   85   HD13  ILE   9          2HD1      ILE   9   0.648   8.464   5.588
   86    H    VAL  10           H        VAL  10   0.415   3.504   6.132
   87    HA   VAL  10           HA       VAL  10  -0.224   1.906   3.764
   88    HB   VAL  10           HB       VAL  10   1.862   0.823   4.367
   89   HG11  VAL  10          1HG1      VAL  10   1.814   3.316   3.644
   90   HG12  VAL  10          2HG1      VAL  10   3.307   2.694   4.347
   91   HG13  VAL  10          3HG1      VAL  10   2.206   3.662   5.329
   92   HG21  VAL  10          3HG2      VAL  10   2.539   2.094   6.823
   93   HG22  VAL  10          1HG2      VAL  10   2.262   0.375   6.541
   94   HG23  VAL  10          2HG2      VAL  10   0.918   1.417   7.021
   95    H    HIS  11           H        HIS  11  -1.404   1.930   6.895
   96    HA   HIS  11           HA       HIS  11  -1.454  -0.566   7.962
   97    HB2  HIS  11           2HB      HIS  11  -3.897   0.038   8.547
   98    HB3  HIS  11           1HB      HIS  11  -2.637   1.190   8.996
   99    HD1  HIS  11           HD1      HIS  11  -4.850   2.888   8.793
  100    HD2  HIS  11           HD2      HIS  11  -3.202   1.380   5.285
  101    HE1  HIS  11           HE1      HIS  11  -5.685   4.382   6.921
  102    H    VAL  12           H        VAL  12  -4.579  -0.159   6.434
  103    HA   VAL  12           HA       VAL  12  -4.898  -2.798   5.691
  104    HB   VAL  12           HB       VAL  12  -6.346  -1.733   3.800
  105   HG11  VAL  12          1HG1      VAL  12  -6.890  -0.858   6.634
  106   HG12  VAL  12          2HG1      VAL  12  -6.986  -2.550   6.137
  107   HG13  VAL  12          3HG1      VAL  12  -8.056  -1.351   5.404
  108   HG21  VAL  12          3HG2      VAL  12  -4.813   0.494   4.512
  109   HG22  VAL  12          1HG2      VAL  12  -6.366   0.775   5.299
  110   HG23  VAL  12          2HG2      VAL  12  -6.294   0.520   3.555
  111    H    GLY  13           H        GLY  13  -2.843  -0.434   4.121
  112    HA2  GLY  13           2HA      GLY  13  -2.562  -1.480   1.535
  113    HA3  GLY  13           1HA      GLY  13  -1.189  -0.860   2.468
  114    H    LYS  14           H        LYS  14  -1.428  -2.684   4.625
  115    HA   LYS  14           HA       LYS  14  -0.081  -5.035   3.511
  116    HB2  LYS  14           2HB      LYS  14  -0.978  -4.405   6.344
  117    HB3  LYS  14           1HB      LYS  14   0.299  -5.519   5.859
  118    HG2  LYS  14           2HG      LYS  14   0.691  -2.832   4.773
  119    HG3  LYS  14           1HG      LYS  14   0.658  -2.853   6.537
  120    HD2  LYS  14           2HD      LYS  14   2.228  -4.977   6.182
  121    HD3  LYS  14           1HD      LYS  14   2.584  -4.158   4.662
  122    HE2  LYS  14           2HE      LYS  14   3.503  -2.280   5.738
  123    HE3  LYS  14           1HE      LYS  14   2.667  -2.629   7.264
  124    HZ1  LYS  14           3HZ      LYS  14   5.080  -3.281   7.196
  125    HZ2  LYS  14           1HZ      LYS  14   4.659  -4.465   6.058
  126    HZ3  LYS  14           2HZ      LYS  14   4.004  -4.525   7.624
  127    H    THR  15           H        THR  15  -3.224  -4.190   4.954
  128    HA   THR  15           HA       THR  15  -4.349  -6.664   5.518
  129    HB   THR  15           HB       THR  15  -5.456  -4.176   4.228
  130    HG1  THR  15           HG1      THR  15  -6.176  -5.334   6.679
  131   HG21  THR  15          3HG2      THR  15  -7.243  -5.342   3.517
  132   HG22  THR  15          1HG2      THR  15  -7.602  -5.684   5.211
  133   HG23  THR  15          2HG2      THR  15  -6.637  -6.821   4.266
  134    H    ILE  16           H        ILE  16  -5.274  -5.204   2.417
  135    HA   ILE  16           HA       ILE  16  -5.942  -7.508   1.025
  136    HB   ILE  16           HB       ILE  16  -5.270  -6.140  -0.995
  137   HG12  ILE  16          2HG1      ILE  16  -4.640  -3.689   0.072
  138   HG13  ILE  16          1HG1      ILE  16  -3.762  -4.787   1.138
  139   HG21  ILE  16          1HG2      ILE  16  -6.738  -4.160  -0.349
  140   HG22  ILE  16          2HG2      ILE  16  -6.797  -4.844   1.274
  141   HG23  ILE  16          3HG2      ILE  16  -7.456  -5.749  -0.089
  142   HD11  ILE  16          3HD1      ILE  16  -2.845  -3.919  -1.305
  143   HD12  ILE  16          1HD1      ILE  16  -3.552  -5.482  -1.713
  144   HD13  ILE  16          2HD1      ILE  16  -2.291  -5.378  -0.486
  145    H    HIS  17           H        HIS  17  -2.688  -6.163   1.547
  146    HA   HIS  17           HA       HIS  17  -1.262  -7.981  -0.167
  147    HB2  HIS  17           2HB      HIS  17  -0.252  -5.938   0.622
  148    HB3  HIS  17           1HB      HIS  17  -0.572  -6.365   2.303
  149    HD1  HIS  17           HD1      HIS  17   2.219  -6.098   0.307
  150    HD2  HIS  17           HD2      HIS  17   0.745  -9.292   2.547
  151    HE1  HIS  17           HE1      HIS  17   4.181  -7.644   0.726
  152    H    ARG  18           H        ARG  18  -2.442  -8.141   3.155
  153    HA   ARG  18           HA       ARG  18  -0.991 -10.562   3.843
  154    HB2  ARG  18           2HB      ARG  18  -1.818  -8.978   5.512
  155    HB3  ARG  18           1HB      ARG  18  -3.475  -9.209   4.947
  156    HG2  ARG  18           2HG      ARG  18  -1.970 -11.654   5.702
  157    HG3  ARG  18           1HG      ARG  18  -2.455 -10.587   7.022
  158    HD2  ARG  18           2HD      ARG  18  -4.431 -11.433   4.884
  159    HD3  ARG  18           1HD      ARG  18  -4.160 -12.409   6.343
  160    HE   ARG  18           HE       ARG  18  -5.741 -10.088   6.327
  161   HH11  ARG  18          1HH1      ARG  18  -4.309 -12.033   8.524
  162   HH12  ARG  18          2HH1      ARG  18  -3.985 -10.819   9.716
  163   HH21  ARG  18          1HH2      ARG  18  -4.729  -8.172   7.602
  164   HH22  ARG  18          2HH2      ARG  18  -4.223  -8.630   9.194
  165    H    LEU  19           H        LEU  19  -3.982  -9.816   2.191
  166    HA   LEU  19           HA       LEU  19  -5.251 -12.382   2.490
  167    HB2  LEU  19           2HB      LEU  19  -5.524  -9.884   0.992
  168    HB3  LEU  19           1HB      LEU  19  -6.090 -11.290   0.088
  169    HG   LEU  19           HG       LEU  19  -7.007 -11.592   2.755
  170   HD11  LEU  19          1HD1      LEU  19  -8.526  -9.413   2.554
  171   HD12  LEU  19          2HD1      LEU  19  -7.113  -8.798   1.695
  172   HD13  LEU  19          3HD1      LEU  19  -6.958  -9.360   3.361
  173   HD21  LEU  19          3HD2      LEU  19  -9.137 -10.739   1.119
  174   HD22  LEU  19          1HD2      LEU  19  -8.631 -12.403   1.410
  175   HD23  LEU  19          2HD2      LEU  19  -7.991 -11.516   0.026
  176    H    VAL  20           H        VAL  20  -3.575 -10.996  -0.307
  177    HA   VAL  20           HA       VAL  20  -3.447 -13.202  -1.998
  178    HB   VAL  20           HB       VAL  20  -1.702 -12.063  -3.069
  179   HG11  VAL  20          1HG1      VAL  20  -2.268  -9.784  -1.255
  180   HG12  VAL  20          2HG1      VAL  20  -3.633 -10.506  -2.108
  181   HG13  VAL  20          3HG1      VAL  20  -2.273  -9.843  -3.019
  182   HG21  VAL  20          3HG2      VAL  20  -0.705 -11.141  -0.362
  183   HG22  VAL  20          1HG2      VAL  20   0.089 -10.857  -1.908
  184   HG23  VAL  20          2HG2      VAL  20  -0.039 -12.495  -1.269
  185    H    THR  21           H        THR  21  -1.304 -12.482   0.747
  186    HA   THR  21           HA       THR  21   0.181 -14.947   0.385
  187    HB   THR  21           HB       THR  21   1.180 -12.851   1.240
  188    HG1  THR  21           HG1      THR  21   1.209 -14.642   3.395
  189   HG21  THR  21          3HG2      THR  21  -0.563 -13.340   3.672
  190   HG22  THR  21          1HG2      THR  21  -0.829 -12.068   2.481
  191   HG23  THR  21          2HG2      THR  21   0.622 -12.048   3.480
  192    H    GLY  22           HN       GLY  22  -2.167 -13.722   2.761
  193    HA2  GLY  22           2HA      GLY  22  -3.339 -16.322   3.175
  194    HA3  GLY  22           1HA      GLY  22  -2.254 -15.920   4.508
  Start of MODEL   13
    1    H1   PHE   1           1HT      PHE   1  -3.936   7.151  14.556
    2    H2   PHE   1           2HT      PHE   1  -3.778   6.238  15.980
    3    H3   PHE   1           3HT      PHE   1  -2.562   6.186  14.794
    4    HA   PHE   1           HA       PHE   1  -3.207   8.808  15.926
    5    HB2  PHE   1           2HB      PHE   1  -2.279   6.392  17.384
    6    HB3  PHE   1           1HB      PHE   1  -1.377   7.873  17.703
    7    HD1  PHE   1           HD2      PHE   1  -4.938   7.824  16.720
    8    HD2  PHE   1           HD1      PHE   1  -2.160   8.197  19.974
    9    HE1  PHE   1           HE2      PHE   1  -6.768   8.623  18.191
   10    HE2  PHE   1           HE1      PHE   1  -3.989   8.996  21.445
   11    HZ   PHE   1           HZ       PHE   1  -6.293   9.209  20.553
   12    H    PHE   2           H        PHE   2  -0.292   6.838  16.244
   13    HA   PHE   2           HA       PHE   2   1.286   8.835  14.797
   14    HB2  PHE   2           2HB      PHE   2   2.165   7.731  16.768
   15    HB3  PHE   2           1HB      PHE   2   1.869   6.141  16.062
   16    HD1  PHE   2           HD1      PHE   2   3.123   9.020  14.115
   17    HD2  PHE   2           HD2      PHE   2   4.173   5.383  16.147
   18    HE1  PHE   2           HE1      PHE   2   5.363   9.071  13.052
   19    HE2  PHE   2           HE2      PHE   2   6.413   5.437  15.084
   20    HZ   PHE   2           HZ       PHE   2   7.007   7.281  13.537
   21    H    HIS   3           H        HIS   3  -0.566   7.902  12.976
   22    HA   HIS   3           HA       HIS   3   1.135   6.262  11.137
   23    HB2  HIS   3           2HB      HIS   3  -0.995   5.266  12.497
   24    HB3  HIS   3           1HB      HIS   3  -1.811   5.889  11.063
   25    HD1  HIS   3           HD1      HIS   3  -0.426   2.868  12.176
   26    HD2  HIS   3           HD2      HIS   3  -0.019   5.014   8.626
   27    HE1  HIS   3           HE1      HIS   3   0.404   1.224  10.437
   28    H    HIS   4           H        HIS   4   0.006   9.213  11.543
   29    HA   HIS   4           HA       HIS   4  -1.024   9.528   8.747
   30    HB2  HIS   4           2HB      HIS   4  -1.554  10.834  11.385
   31    HB3  HIS   4           1HB      HIS   4  -1.783  11.778   9.920
   32    HD1  HIS   4           HD1      HIS   4  -4.370  11.415  11.155
   33    HD2  HIS   4           HD2      HIS   4  -2.666   8.372   8.912
   34    HE1  HIS   4           HE1      HIS   4  -6.278   9.890  10.474
   35    H    ILE   5           H        ILE   5   1.268  10.721  11.159
   36    HA   ILE   5           HA       ILE   5   2.320  12.813   9.382
   37    HB   ILE   5           HB       ILE   5   3.662  13.342  11.300
   38   HG12  ILE   5          2HG1      ILE   5   3.178  11.387  13.219
   39   HG13  ILE   5          1HG1      ILE   5   3.449  10.460  11.749
   40   HG21  ILE   5          1HG2      ILE   5   0.888  13.058  11.439
   41   HG22  ILE   5          2HG2      ILE   5   1.893  14.008  12.534
   42   HG23  ILE   5          3HG2      ILE   5   1.473  12.344  12.941
   43   HD11  ILE   5          3HD1      ILE   5   5.560  10.932  13.006
   44   HD12  ILE   5          1HD1      ILE   5   5.288  12.653  12.742
   45   HD13  ILE   5          2HD1      ILE   5   5.572  11.585  11.368
   46    H    PHE   6           H        PHE   6   3.055   9.493  10.221
   47    HA   PHE   6           HA       PHE   6   5.701   9.669   8.848
   48    HB2  PHE   6           2HB      PHE   6   4.751   8.431  11.167
   49    HB3  PHE   6           1HB      PHE   6   4.920   7.108  10.012
   50    HD1  PHE   6           HD1      PHE   6   6.753  10.096  11.334
   51    HD2  PHE   6           HD2      PHE   6   7.031   6.172   9.605
   52    HE1  PHE   6           HE1      PHE   6   9.213  10.128  11.653
   53    HE2  PHE   6           HE2      PHE   6   9.490   6.206   9.924
   54    HZ   PHE   6           HZ       PHE   6  10.581   8.184  10.949
   55    H    ARG   7           H        ARG   7   6.206   8.026   7.222
   56    HA   ARG   7           HA       ARG   7   5.647   7.064   5.122
   57    HB2  ARG   7           2HB      ARG   7   4.563   4.950   5.525
   58    HB3  ARG   7           1HB      ARG   7   5.490   5.332   6.974
   59    HG2  ARG   7           2HG      ARG   7   3.542   6.022   8.161
   60    HG3  ARG   7           1HG      ARG   7   2.570   6.063   6.690
   61    HD2  ARG   7           2HD      ARG   7   1.904   3.979   7.387
   62    HD3  ARG   7           1HD      ARG   7   3.445   3.463   6.672
   63    HE   ARG   7           HE       ARG   7   3.284   4.313   9.537
   64   HH11  ARG   7          1HH1      ARG   7   5.953   3.639   8.469
   65   HH12  ARG   7          2HH1      ARG   7   6.115   1.960   8.863
   66   HH21  ARG   7          1HH2      ARG   7   2.726   1.494   9.430
   67   HH22  ARG   7          2HH2      ARG   7   4.288   0.745   9.407
   68    HA   PRO   8           HA       PRO   8   1.462   8.293   4.073
   69    HB2  PRO   8           2HB      PRO   8   1.036   6.848   1.794
   70    HB3  PRO   8           1HB      PRO   8   2.294   8.092   1.923
   71    HG2  PRO   8           2HG      PRO   8   2.534   5.145   1.998
   72    HG3  PRO   8           1HG      PRO   8   3.657   6.357   1.370
   73    HD2  PRO   8           2HD      PRO   8   3.905   5.048   3.796
   74    HD3  PRO   8           1HD      PRO   8   4.716   6.564   3.360
   75    H    ILE   9           H        ILE   9  -0.595   6.891   2.663
   76    HA   ILE   9           HA       ILE   9  -1.909   5.532   4.891
   77    HB   ILE   9           HB       ILE   9  -2.792   7.118   2.990
   78   HG12  ILE   9          2HG1      ILE   9  -4.254   6.242   4.697
   79   HG13  ILE   9          1HG1      ILE   9  -5.042   5.989   3.142
   80   HG21  ILE   9          1HG2      ILE   9  -1.918   5.270   1.296
   81   HG22  ILE   9          2HG2      ILE   9  -3.383   6.191   0.958
   82   HG23  ILE   9          3HG2      ILE   9  -3.500   4.559   1.614
   83   HD11  ILE   9          3HD1      ILE   9  -5.184   3.972   4.572
   84   HD12  ILE   9          1HD1      ILE   9  -3.424   3.905   4.636
   85   HD13  ILE   9          2HD1      ILE   9  -4.261   3.661   3.103
   86    H    VAL  10           H        VAL  10   0.349   4.048   4.348
   87    HA   VAL  10           HA       VAL  10  -0.179   1.880   2.459
   88    HB   VAL  10           HB       VAL  10   2.074   2.729   3.026
   89   HG11  VAL  10          1HG1      VAL  10   2.287   3.349   5.204
   90   HG12  VAL  10          2HG1      VAL  10   2.698   1.656   5.477
   91   HG13  VAL  10          3HG1      VAL  10   1.046   2.216   5.742
   92   HG21  VAL  10          3HG2      VAL  10   1.223  -0.013   3.069
   93   HG22  VAL  10          1HG2      VAL  10   2.569   0.175   4.191
   94   HG23  VAL  10          2HG2      VAL  10   2.756   0.646   2.502
   95    H    HIS  11           H        HIS  11  -1.439   2.614   5.471
   96    HA   HIS  11           HA       HIS  11  -1.400   0.410   7.112
   97    HB2  HIS  11           2HB      HIS  11  -2.710   2.477   7.446
   98    HB3  HIS  11           1HB      HIS  11  -3.833   1.969   6.187
   99    HD1  HIS  11           HD1      HIS  11  -4.176   2.284   9.497
  100    HD2  HIS  11           HD2      HIS  11  -4.252  -1.176   7.173
  101    HE1  HIS  11           HE1      HIS  11  -5.442   0.547  10.838
  102    H    VAL  12           H        VAL  12  -4.310   0.553   5.104
  103    HA   VAL  12           HA       VAL  12  -4.715  -2.218   5.036
  104    HB   VAL  12           HB       VAL  12  -5.895  -1.588   2.778
  105   HG11  VAL  12          1HG1      VAL  12  -6.732  -0.159   5.302
  106   HG12  VAL  12          2HG1      VAL  12  -6.859  -1.909   5.106
  107   HG13  VAL  12          3HG1      VAL  12  -7.771  -0.831   4.045
  108   HG21  VAL  12          3HG2      VAL  12  -6.033   1.180   3.692
  109   HG22  VAL  12          1HG2      VAL  12  -5.740   0.557   2.069
  110   HG23  VAL  12          2HG2      VAL  12  -4.397   0.740   3.196
  111    H    GLY  13           H        GLY  13  -2.375  -0.321   3.315
  112    HA2  GLY  13           2HA      GLY  13  -1.818  -1.802   1.019
  113    HA3  GLY  13           1HA      GLY  13  -0.542  -1.110   2.032
  114    H    LYS  14           H        LYS  14  -1.070  -2.533   4.392
  115    HA   LYS  14           HA       LYS  14   0.143  -5.135   3.774
  116    HB2  LYS  14           2HB      LYS  14  -0.777  -3.761   6.326
  117    HB3  LYS  14           1HB      LYS  14   0.135  -5.268   6.280
  118    HG2  LYS  14           2HG      LYS  14   1.642  -3.634   4.654
  119    HG3  LYS  14           1HG      LYS  14   1.065  -2.508   5.883
  120    HD2  LYS  14           2HD      LYS  14   1.854  -4.087   7.647
  121    HD3  LYS  14           1HD      LYS  14   2.521  -5.119   6.383
  122    HE2  LYS  14           2HE      LYS  14   4.365  -3.777   7.077
  123    HE3  LYS  14           1HE      LYS  14   3.787  -2.978   5.601
  124    HZ1  LYS  14           3HZ      LYS  14   4.038  -1.718   7.941
  125    HZ2  LYS  14           1HZ      LYS  14   2.428  -2.241   8.060
  126    HZ3  LYS  14           2HZ      LYS  14   2.909  -1.269   6.752
  127    H    THR  15           H        THR  15  -2.983  -3.801   4.773
  128    HA   THR  15           HA       THR  15  -4.343  -6.118   5.607
  129    HB   THR  15           HB       THR  15  -5.188  -3.687   4.032
  130    HG1  THR  15           HG1      THR  15  -4.531  -3.760   6.369
  131   HG21  THR  15          3HG2      THR  15  -7.134  -4.689   3.539
  132   HG22  THR  15          1HG2      THR  15  -7.425  -4.920   5.263
  133   HG23  THR  15          2HG2      THR  15  -6.596  -6.170   4.333
  134    H    ILE  16           H        ILE  16  -5.075  -4.833   2.382
  135    HA   ILE  16           HA       ILE  16  -5.919  -7.189   1.176
  136    HB   ILE  16           HB       ILE  16  -5.193  -6.050  -0.941
  137   HG12  ILE  16          2HG1      ILE  16  -4.141  -3.803   0.750
  138   HG13  ILE  16          1HG1      ILE  16  -3.076  -5.149   0.352
  139   HG21  ILE  16          1HG2      ILE  16  -6.410  -3.856  -0.415
  140   HG22  ILE  16          2HG2      ILE  16  -6.527  -4.445   1.244
  141   HG23  ILE  16          3HG2      ILE  16  -7.291  -5.342  -0.067
  142   HD11  ILE  16          3HD1      ILE  16  -3.197  -3.074  -1.258
  143   HD12  ILE  16          1HD1      ILE  16  -4.676  -3.849  -1.829
  144   HD13  ILE  16          2HD1      ILE  16  -3.135  -4.701  -1.935
  145    H    HIS  17           H        HIS  17  -2.625  -6.141   1.853
  146    HA   HIS  17           HA       HIS  17  -1.260  -8.095   0.220
  147    HB2  HIS  17           2HB      HIS  17  -0.125  -6.124   1.022
  148    HB3  HIS  17           1HB      HIS  17  -0.555  -6.488   2.691
  149    HD1  HIS  17           HD1      HIS  17   2.339  -6.486   0.841
  150    HD2  HIS  17           HD2      HIS  17   0.500  -9.516   3.033
  151    HE1  HIS  17           HE1      HIS  17   4.143  -8.181   1.373
  152    H    ARG  18           H        ARG  18  -2.598  -8.077   3.491
  153    HA   ARG  18           HA       ARG  18  -1.403 -10.603   4.286
  154    HB2  ARG  18           2HB      ARG  18  -2.180  -8.879   5.861
  155    HB3  ARG  18           1HB      ARG  18  -3.830  -9.061   5.259
  156    HG2  ARG  18           2HG      ARG  18  -2.373 -11.484   6.242
  157    HG3  ARG  18           1HG      ARG  18  -3.062 -10.366   7.421
  158    HD2  ARG  18           2HD      ARG  18  -4.921 -10.962   5.227
  159    HD3  ARG  18           1HD      ARG  18  -4.471 -12.399   6.167
  160    HE   ARG  18           HE       ARG  18  -4.915 -10.439   8.088
  161   HH11  ARG  18          1HH2      ARG  18  -6.609 -12.676   6.231
  162   HH12  ARG  18          2HH2      ARG  18  -8.184 -12.074   6.630
  163   HH21  ARG  18          1HH1      ARG  18  -6.984  -9.276   8.289
  164   HH22  ARG  18          2HH1      ARG  18  -8.395 -10.149   7.795
  165    H    LEU  19           H        LEU  19  -3.993  -9.747   2.204
  166    HA   LEU  19           HA       LEU  19  -5.393 -12.333   2.584
  167    HB2  LEU  19           2HB      LEU  19  -5.875  -9.794   1.023
  168    HB3  LEU  19           1HB      LEU  19  -6.883 -11.223   0.792
  169    HG   LEU  19           HG       LEU  19  -6.914 -11.092   3.488
  170   HD11  LEU  19          1HD1      LEU  19  -5.813  -8.583   2.622
  171   HD12  LEU  19          2HD1      LEU  19  -6.160  -9.121   4.265
  172   HD13  LEU  19          3HD1      LEU  19  -7.405  -8.298   3.325
  173   HD21  LEU  19          3HD2      LEU  19  -8.670 -10.485   1.330
  174   HD22  LEU  19          1HD2      LEU  19  -8.885  -9.225   2.545
  175   HD23  LEU  19          2HD2      LEU  19  -9.104 -10.919   2.984
  176    H    VAL  20           H        VAL  20  -3.239 -10.715   0.347
  177    HA   VAL  20           HA       VAL  20  -3.598 -12.602  -1.846
  178    HB   VAL  20           HB       VAL  20  -1.915 -11.310  -2.873
  179   HG11  VAL  20          1HG1      VAL  20  -2.337  -9.184  -0.909
  180   HG12  VAL  20          2HG1      VAL  20  -3.827  -9.962  -1.441
  181   HG13  VAL  20          3HG1      VAL  20  -2.746  -9.224  -2.624
  182   HG21  VAL  20          3HG2      VAL  20  -0.263  -9.978  -1.396
  183   HG22  VAL  20          1HG2      VAL  20  -0.033 -11.724  -1.488
  184   HG23  VAL  20          2HG2      VAL  20  -0.816 -11.011  -0.079
  185    H    THR  21           H        THR  21  -1.570 -12.306   0.993
  186    HA   THR  21           HA       THR  21   0.081 -14.593   0.210
  187    HB   THR  21           HB       THR  21   0.004 -12.600   2.466
  188    HG1  THR  21           HG1      THR  21   2.267 -13.199   0.982
  189   HG21  THR  21          3HG2      THR  21   2.223 -13.814   3.130
  190   HG22  THR  21          1HG2      THR  21   1.504 -15.199   2.308
  191   HG23  THR  21          2HG2      THR  21   0.686 -14.472   3.690
  192    H    GLY  22           HN       GLY  22  -2.170 -13.726   2.834
  193    HA2  GLY  22           2HA      GLY  22  -3.669 -15.128   4.012
  194    HA3  GLY  22           1HA      GLY  22  -3.143 -16.475   3.001
  Start of MODEL   14
    1    H1   PHE   1           1HT      PHE   1  -1.287  10.409  -5.738
    2    H2   PHE   1           2HT      PHE   1  -0.671   9.969  -7.259
    3    H3   PHE   1           3HT      PHE   1  -2.274  10.515  -7.113
    4    HA   PHE   1           HA       PHE   1   0.232  12.073  -6.991
    5    HB2  PHE   1           2HB      PHE   1  -1.572  11.524  -8.929
    6    HB3  PHE   1           1HB      PHE   1  -2.342  12.940  -8.211
    7    HD1  PHE   1           HD1      PHE   1   0.761  11.680  -9.811
    8    HD2  PHE   1           HD2      PHE   1  -1.398  15.134  -8.447
    9    HE1  PHE   1           HE1      PHE   1   2.378  13.153 -10.981
   10    HE2  PHE   1           HE2      PHE   1   0.219  16.607  -9.617
   11    HZ   PHE   1           HZ       PHE   1   2.106  15.616 -10.884
   12    H    PHE   2           H        PHE   2  -3.139  11.973  -5.853
   13    HA   PHE   2           HA       PHE   2  -3.020  14.607  -4.598
   14    HB2  PHE   2           2HB      PHE   2  -4.900  12.234  -4.529
   15    HB3  PHE   2           1HB      PHE   2  -5.211  13.708  -3.614
   16    HD1  PHE   2           HD1      PHE   2  -5.223  15.941  -4.904
   17    HD2  PHE   2           HD2      PHE   2  -5.471  12.100  -6.813
   18    HE1  PHE   2           HE1      PHE   2  -6.147  17.012  -6.941
   19    HE2  PHE   2           HE2      PHE   2  -6.393  13.172  -8.849
   20    HZ   PHE   2           HZ       PHE   2  -6.731  15.628  -8.913
   21    H    HIS   3           H        HIS   3  -0.797  13.322  -3.648
   22    HA   HIS   3           HA       HIS   3  -1.336  11.887  -1.153
   23    HB2  HIS   3           2HB      HIS   3   0.623  11.555  -2.711
   24    HB3  HIS   3           1HB      HIS   3   1.219  13.138  -2.209
   25    HD1  HIS   3           HD1      HIS   3   0.577   9.662  -0.885
   26    HD2  HIS   3           HD2      HIS   3   2.390  13.204   0.359
   27    HE1  HIS   3           HE1      HIS   3   1.824   9.116   1.251
   28    H    HIS   4           H        HIS   4  -1.597  15.105  -1.972
   29    HA   HIS   4           HA       HIS   4  -0.565  16.105   0.643
   30    HB2  HIS   4           2HB      HIS   4   0.224  17.315  -1.263
   31    HB3  HIS   4           1HB      HIS   4  -1.384  17.361  -1.984
   32    HD1  HIS   4           HD1      HIS   4  -0.590  18.178   1.630
   33    HD2  HIS   4           HD2      HIS   4  -1.821  20.117  -1.847
   34    HE1  HIS   4           HE1      HIS   4  -1.198  20.542   2.307
   35    H    ILE   5           H        ILE   5  -3.518  15.637  -1.211
   36    HA   ILE   5           HA       ILE   5  -5.128  17.106   0.806
   37    HB   ILE   5           HB       ILE   5  -6.891  16.792  -0.879
   38   HG12  ILE   5          2HG1      ILE   5  -5.352  15.657  -3.011
   39   HG13  ILE   5          1HG1      ILE   5  -5.253  14.578  -1.619
   40   HG21  ILE   5          1HG2      ILE   5  -4.563  18.281  -1.180
   41   HG22  ILE   5          2HG2      ILE   5  -6.044  18.482  -2.116
   42   HG23  ILE   5          3HG2      ILE   5  -4.740  17.468  -2.735
   43   HD11  ILE   5          3HD1      ILE   5  -7.255  13.802  -2.376
   44   HD12  ILE   5          1HD1      ILE   5  -7.579  15.265  -3.307
   45   HD13  ILE   5          2HD1      ILE   5  -7.902  15.232  -1.574
   46    H    PHE   6           H        PHE   6  -4.309  13.856  -0.193
   47    HA   PHE   6           HA       PHE   6  -6.360  12.771   1.712
   48    HB2  PHE   6           2HB      PHE   6  -5.843  12.275  -1.018
   49    HB3  PHE   6           1HB      PHE   6  -5.246  10.857  -0.156
   50    HD1  PHE   6           HD1      PHE   6  -8.205  12.919  -0.910
   51    HD2  PHE   6           HD2      PHE   6  -6.752   9.427   1.131
   52    HE1  PHE   6           HE1      PHE   6 -10.536  12.131  -0.598
   53    HE2  PHE   6           HE2      PHE   6  -9.083   8.641   1.442
   54    HZ   PHE   6           HZ       PHE   6 -10.975   9.992   0.579
   55    H    ARG   7           H        ARG   7  -5.379  10.241   2.048
   56    HA   ARG   7           HA       ARG   7  -2.714  10.709   3.334
   57    HB2  ARG   7           2HB      ARG   7  -3.508   8.860   4.848
   58    HB3  ARG   7           1HB      ARG   7  -4.539  10.290   4.889
   59    HG2  ARG   7           2HG      ARG   7  -6.308   9.131   4.107
   60    HG3  ARG   7           1HG      ARG   7  -5.355   8.458   2.782
   61    HD2  ARG   7           2HD      ARG   7  -6.023   6.570   4.101
   62    HD3  ARG   7           1HD      ARG   7  -4.336   6.877   4.563
   63    HE   ARG   7           HE       ARG   7  -6.716   7.506   6.209
   64   HH11  ARG   7          1HH1      ARG   7  -4.243   6.011   7.140
   65   HH12  ARG   7          2HH1      ARG   7  -3.453   7.219   8.097
   66   HH21  ARG   7          1HH2      ARG   7  -5.311   9.843   6.797
   67   HH22  ARG   7          2HH2      ARG   7  -4.060   9.388   7.906
   68    HA   PRO   8           HA       PRO   8  -1.629   7.017   1.080
   69    HB2  PRO   8           2HB      PRO   8   0.429   6.035   2.588
   70    HB3  PRO   8           1HB      PRO   8   0.520   7.584   1.726
   71    HG2  PRO   8           2HG      PRO   8   0.005   7.048   4.604
   72    HG3  PRO   8           1HG      PRO   8   0.944   8.342   3.845
   73    HD2  PRO   8           2HD      PRO   8  -1.584   8.676   4.817
   74    HD3  PRO   8           1HD      PRO   8  -0.893   9.653   3.505
   75    H    ILE   9           H        ILE   9  -2.063   4.810   0.820
   76    HA   ILE   9           HA       ILE   9  -3.650   3.485   2.887
   77    HB   ILE   9           HB       ILE   9  -3.665   1.676   1.117
   78   HG12  ILE   9          2HG1      ILE   9  -2.487   3.419  -0.913
   79   HG13  ILE   9          1HG1      ILE   9  -1.313   2.941   0.315
   80   HG21  ILE   9          1HG2      ILE   9  -4.711   3.266  -0.659
   81   HG22  ILE   9          2HG2      ILE   9  -4.377   4.541   0.512
   82   HG23  ILE   9          3HG2      ILE   9  -5.445   3.206   0.943
   83   HD11  ILE   9          3HD1      ILE   9  -2.299   0.548  -0.021
   84   HD12  ILE   9          1HD1      ILE   9  -1.181   1.178  -1.230
   85   HD13  ILE   9          2HD1      ILE   9  -2.917   1.196  -1.541
   86    H    VAL  10           H        VAL  10  -1.524   3.724   4.345
   87    HA   VAL  10           HA       VAL  10   0.560   1.723   3.872
   88    HB   VAL  10           HB       VAL  10  -0.200   3.642   6.080
   89   HG11  VAL  10          1HG1      VAL  10   2.089   2.965   7.040
   90   HG12  VAL  10          2HG1      VAL  10   1.948   1.518   6.042
   91   HG13  VAL  10          3HG1      VAL  10   0.755   1.840   7.300
   92   HG21  VAL  10          3HG2      VAL  10   1.349   5.014   5.130
   93   HG22  VAL  10          1HG2      VAL  10   1.143   3.992   3.707
   94   HG23  VAL  10          2HG2      VAL  10   2.470   3.686   4.827
   95    H    HIS  11           H        HIS  11  -1.666   2.156   6.649
   96    HA   HIS  11           HA       HIS  11  -1.422  -0.273   7.889
   97    HB2  HIS  11           2HB      HIS  11  -3.980   0.044   8.335
   98    HB3  HIS  11           1HB      HIS  11  -2.864   1.298   8.876
   99    HD1  HIS  11           HD1      HIS  11  -5.160   2.822   8.576
  100    HD2  HIS  11           HD2      HIS  11  -3.282   1.464   5.123
  101    HE1  HIS  11           HE1      HIS  11  -6.054   4.247   6.679
  102    H    VAL  12           H        VAL  12  -4.495  -0.205   6.189
  103    HA   VAL  12           HA       VAL  12  -4.584  -2.909   5.616
  104    HB   VAL  12           HB       VAL  12  -6.001  -2.062   3.584
  105   HG11  VAL  12          1HG1      VAL  12  -6.769  -1.106   6.339
  106   HG12  VAL  12          2HG1      VAL  12  -6.706  -2.820   5.920
  107   HG13  VAL  12          3HG1      VAL  12  -7.823  -1.745   5.074
  108   HG21  VAL  12          3HG2      VAL  12  -6.121   0.175   3.230
  109   HG22  VAL  12          1HG2      VAL  12  -4.689   0.311   4.251
  110   HG23  VAL  12          2HG2      VAL  12  -6.294   0.504   4.954
  111    H    GLY  13           H        GLY  13  -2.601  -0.505   4.048
  112    HA2  GLY  13           2HA      GLY  13  -2.101  -1.591   1.525
  113    HA3  GLY  13           1HA      GLY  13  -0.818  -0.893   2.526
  114    H    LYS  14           H        LYS  14  -1.010  -2.675   4.697
  115    HA   LYS  14           HA       LYS  14   0.443  -5.002   3.648
  116    HB2  LYS  14           2HB      LYS  14  -0.403  -3.978   6.376
  117    HB3  LYS  14           1HB      LYS  14   0.467  -5.499   6.169
  118    HG2  LYS  14           2HG      LYS  14   2.219  -3.991   6.518
  119    HG3  LYS  14           1HG      LYS  14   2.131  -4.044   4.757
  120    HD2  LYS  14           2HD      LYS  14   1.333  -1.910   4.599
  121    HD3  LYS  14           1HD      LYS  14   0.363  -2.056   6.066
  122    HE2  LYS  14           2HE      LYS  14   3.296  -2.129   6.501
  123    HE3  LYS  14           1HE      LYS  14   2.647  -0.574   5.942
  124    HZ1  LYS  14           3HZ      LYS  14   0.915  -0.753   7.648
  125    HZ2  LYS  14           1HZ      LYS  14   2.465  -0.718   8.337
  126    HZ3  LYS  14           2HZ      LYS  14   1.623  -2.188   8.220
  127    H    THR  15           H        THR  15  -2.729  -4.213   5.024
  128    HA   THR  15           HA       THR  15  -3.769  -6.774   5.545
  129    HB   THR  15           HB       THR  15  -4.988  -4.248   4.429
  130    HG1  THR  15           HG1      THR  15  -5.971  -4.708   6.705
  131   HG21  THR  15          3HG2      THR  15  -6.089  -6.902   4.426
  132   HG22  THR  15          1HG2      THR  15  -6.840  -5.396   3.892
  133   HG23  THR  15          2HG2      THR  15  -6.980  -5.902   5.577
  134    H    ILE  16           H        ILE  16  -4.593  -5.010   2.548
  135    HA   ILE  16           HA       ILE  16  -5.470  -7.122   0.989
  136    HB   ILE  16           HB       ILE  16  -4.442  -5.711  -0.918
  137   HG12  ILE  16          2HG1      ILE  16  -4.003  -3.374   0.620
  138   HG13  ILE  16          1HG1      ILE  16  -3.037  -4.646   1.365
  139   HG21  ILE  16          1HG2      ILE  16  -6.695  -5.402   0.604
  140   HG22  ILE  16          2HG2      ILE  16  -6.321  -4.434  -0.823
  141   HG23  ILE  16          3HG2      ILE  16  -5.933  -3.822   0.786
  142   HD11  ILE  16          3HD1      ILE  16  -1.695  -4.903  -0.481
  143   HD12  ILE  16          1HD1      ILE  16  -2.148  -3.217  -0.729
  144   HD13  ILE  16          2HD1      ILE  16  -2.990  -4.493  -1.607
  145    H    HIS  17           H        HIS  17  -2.102  -6.194   1.663
  146    HA   HIS  17           HA       HIS  17  -0.867  -8.099  -0.113
  147    HB2  HIS  17           2HB      HIS  17   0.342  -6.196   0.780
  148    HB3  HIS  17           1HB      HIS  17  -0.001  -6.699   2.435
  149    HD1  HIS  17           HD1      HIS  17   2.794  -6.568   0.469
  150    HD2  HIS  17           HD2      HIS  17   0.986  -9.792   2.401
  151    HE1  HIS  17           HE1      HIS  17   4.580  -8.345   0.727
  152    H    ARG  18           H        ARG  18  -1.945  -8.205   3.273
  153    HA   ARG  18           HA       ARG  18  -0.894 -10.883   3.756
  154    HB2  ARG  18           2HB      ARG  18  -1.276  -9.187   5.515
  155    HB3  ARG  18           1HB      ARG  18  -3.005  -9.209   5.161
  156    HG2  ARG  18           2HG      ARG  18  -1.525 -11.735   5.876
  157    HG3  ARG  18           1HG      ARG  18  -2.174 -10.671   7.126
  158    HD2  ARG  18           2HD      ARG  18  -4.268 -10.956   5.257
  159    HD3  ARG  18           1HD      ARG  18  -3.596 -12.585   5.473
  160    HE   ARG  18           HE       ARG  18  -3.823 -12.194   7.959
  161   HH11  ARG  18          1HH1      ARG  18  -6.506 -12.211   6.374
  162   HH12  ARG  18          2HH1      ARG  18  -7.342 -10.933   7.192
  163   HH21  ARG  18          1HH2      ARG  18  -4.494  -9.701   8.739
  164   HH22  ARG  18          2HH2      ARG  18  -6.203  -9.512   8.531
  165    H    LEU  19           H        LEU  19  -3.809  -9.511   2.425
  166    HA   LEU  19           HA       LEU  19  -5.534 -11.786   2.775
  167    HB2  LEU  19           2HB      LEU  19  -5.467  -9.184   1.472
  168    HB3  LEU  19           1HB      LEU  19  -6.293 -10.381   0.473
  169    HG   LEU  19           HG       LEU  19  -6.938  -9.611   3.329
  170   HD11  LEU  19          1HD1      LEU  19  -8.393  -8.236   2.298
  171   HD12  LEU  19          2HD1      LEU  19  -9.195  -9.655   1.625
  172   HD13  LEU  19          3HD1      LEU  19  -7.910  -8.855   0.719
  173   HD21  LEU  19          3HD2      LEU  19  -7.418 -12.095   1.828
  174   HD22  LEU  19          1HD2      LEU  19  -8.886 -11.378   2.492
  175   HD23  LEU  19          2HD2      LEU  19  -7.544 -11.790   3.561
  176    H    VAL  20           H        VAL  20  -3.675 -10.632  -0.009
  177    HA   VAL  20           HA       VAL  20  -4.204 -12.728  -1.823
  178    HB   VAL  20           HB       VAL  20  -2.360 -11.889  -3.013
  179   HG11  VAL  20          1HG1      VAL  20  -3.898 -10.046  -1.755
  180   HG12  VAL  20          2HG1      VAL  20  -2.638  -9.635  -2.921
  181   HG13  VAL  20          3HG1      VAL  20  -2.295  -9.576  -1.190
  182   HG21  VAL  20          3HG2      VAL  20  -1.070 -11.526  -0.304
  183   HG22  VAL  20          1HG2      VAL  20  -0.379 -10.837  -1.772
  184   HG23  VAL  20          2HG2      VAL  20  -0.554 -12.585  -1.616
  185    H    THR  21           H        THR  21  -1.992 -12.557   0.907
  186    HA   THR  21           HA       THR  21  -0.815 -15.154   0.320
  187    HB   THR  21           HB       THR  21  -0.477 -13.873   2.969
  188    HG1  THR  21           HG1      THR  21   0.440 -12.639   0.590
  189   HG21  THR  21          3HG2      THR  21   1.391 -15.106   2.796
  190   HG22  THR  21          1HG2      THR  21   1.922 -14.076   1.468
  191   HG23  THR  21          2HG2      THR  21   0.982 -15.531   1.134
  192    H    GLY  22           HN       GLY  22  -2.693 -13.826   3.049
  193    HA2  GLY  22           2HA      GLY  22  -4.254 -14.854   4.472
  194    HA3  GLY  22           1HA      GLY  22  -4.464 -16.082   3.222
  Start of MODEL   15
    1    H1   PHE   1           1HT      PHE   1  -1.272  11.969  15.820
    2    H2   PHE   1           2HT      PHE   1  -0.683  13.512  16.217
    3    H3   PHE   1           3HT      PHE   1  -1.321  12.505  17.428
    4    HA   PHE   1           HA       PHE   1   1.086  12.486  17.562
    5    HB2  PHE   1           2HB      PHE   1  -0.718  10.384  17.460
    6    HB3  PHE   1           1HB      PHE   1   0.579   9.839  16.395
    7    HD1  PHE   1           HD2      PHE   1   0.341  11.749  19.626
    8    HD2  PHE   1           HD1      PHE   1   2.197   8.546  17.446
    9    HE1  PHE   1           HE2      PHE   1   1.742  11.216  21.602
   10    HE2  PHE   1           HE1      PHE   1   3.597   8.013  19.422
   11    HZ   PHE   1           HZ       PHE   1   3.370   9.348  21.500
   12    H    PHE   2           H        PHE   2   2.834  10.866  16.272
   13    HA   PHE   2           HA       PHE   2   3.408  12.336  13.806
   14    HB2  PHE   2           2HB      PHE   2   4.948  11.364  15.712
   15    HB3  PHE   2           1HB      PHE   2   4.856   9.881  14.761
   16    HD1  PHE   2           HD1      PHE   2   5.206  13.554  14.035
   17    HD2  PHE   2           HD2      PHE   2   6.639   9.571  13.305
   18    HE1  PHE   2           HE1      PHE   2   6.904  14.452  12.468
   19    HE2  PHE   2           HE2      PHE   2   8.337  10.469  11.737
   20    HZ   PHE   2           HZ       PHE   2   8.471  12.910  11.319
   21    H    HIS   3           H        HIS   3   1.713   9.449  14.600
   22    HA   HIS   3           HA       HIS   3   2.201   8.119  12.014
   23    HB2  HIS   3           2HB      HIS   3   1.084   7.540  14.644
   24    HB3  HIS   3           1HB      HIS   3   0.058   6.913  13.354
   25    HD1  HIS   3           HD1      HIS   3   2.192   6.160  11.276
   26    HD2  HIS   3           HD2      HIS   3   2.533   5.265  15.333
   27    HE1  HIS   3           HE1      HIS   3   3.801   4.211  11.448
   28    H    HIS   4           H        HIS   4   0.390  10.741  12.891
   29    HA   HIS   4           HA       HIS   4  -1.894  10.040  11.083
   30    HB2  HIS   4           2HB      HIS   4  -1.546  11.473  13.593
   31    HB3  HIS   4           1HB      HIS   4  -2.410  12.443  12.408
   32    HD1  HIS   4           HD1      HIS   4  -4.275  11.768  14.494
   33    HD2  HIS   4           HD2      HIS   4  -3.319   8.985  11.573
   34    HE1  HIS   4           HE1      HIS   4  -6.162  10.074  14.488
   35    H    ILE   5           H        ILE   5   0.840  12.170  11.528
   36    HA   ILE   5           HA       ILE   5   0.005  14.180   9.591
   37    HB   ILE   5           HB       ILE   5   2.435  14.840   9.873
   38   HG12  ILE   5          2HG1      ILE   5   2.861  13.061  12.138
   39   HG13  ILE   5          1HG1      ILE   5   2.679  12.156  10.636
   40   HG21  ILE   5          1HG2      ILE   5   2.088  14.959  12.537
   41   HG22  ILE   5          2HG2      ILE   5   0.452  14.497  12.071
   42   HG23  ILE   5          3HG2      ILE   5   1.170  15.972  11.424
   43   HD11  ILE   5          3HD1      ILE   5   4.636  14.403  11.179
   44   HD12  ILE   5          1HD1      ILE   5   4.366  13.700   9.584
   45   HD13  ILE   5          2HD1      ILE   5   5.020  12.707  10.886
   46    H    PHE   6           H        PHE   6   1.700  11.112   9.452
   47    HA   PHE   6           HA       PHE   6   2.813  11.587   6.775
   48    HB2  PHE   6           2HB      PHE   6   3.185   9.835   8.973
   49    HB3  PHE   6           1HB      PHE   6   2.718   8.825   7.605
   50    HD1  PHE   6           HD1      PHE   6   5.124  11.432   8.728
   51    HD2  PHE   6           HD2      PHE   6   4.195   8.459   5.771
   52    HE1  PHE   6           HE1      PHE   6   7.398  11.676   7.768
   53    HE2  PHE   6           HE2      PHE   6   6.468   8.704   4.810
   54    HZ   PHE   6           HZ       PHE   6   8.070  10.311   5.809
   55    H    ARG   7           H        ARG   7   2.263   9.019   5.654
   56    HA   ARG   7           HA       ARG   7  -0.492   9.486   4.676
   57    HB2  ARG   7           2HB      ARG   7   0.207   7.990   2.900
   58    HB3  ARG   7           1HB      ARG   7   1.539   9.103   3.218
   59    HG2  ARG   7           2HG      ARG   7   2.740   7.150   3.293
   60    HG3  ARG   7           1HG      ARG   7   2.179   7.152   4.965
   61    HD2  ARG   7           2HD      ARG   7   1.040   5.230   4.601
   62    HD3  ARG   7           1HD      ARG   7   0.138   5.998   3.279
   63    HE   ARG   7           HE       ARG   7   1.537   4.754   1.848
   64   HH11  ARG   7          1HH2      ARG   7   2.981   4.806   4.913
   65   HH12  ARG   7          2HH2      ARG   7   4.592   4.540   4.336
   66   HH21  ARG   7          1HH1      ARG   7   3.723   4.809   0.990
   67   HH22  ARG   7          2HH1      ARG   7   5.013   4.543   2.115
   68    HA   PRO   8           HA       PRO   8  -1.714   5.805   6.833
   69    HB2  PRO   8           2HB      PRO   8  -4.398   5.987   6.343
   70    HB3  PRO   8           1HB      PRO   8  -3.545   7.072   7.460
   71    HG2  PRO   8           2HG      PRO   8  -4.418   7.546   4.658
   72    HG3  PRO   8           1HG      PRO   8  -4.420   8.647   6.044
   73    HD2  PRO   8           2HD      PRO   8  -2.538   8.707   4.072
   74    HD3  PRO   8           1HD      PRO   8  -2.239   9.248   5.737
   75    H    ILE   9           H        ILE   9  -2.109   6.185   3.433
   76    HA   ILE   9           HA       ILE   9  -3.591   3.941   2.627
   77    HB   ILE   9           HB       ILE   9  -1.105   5.272   1.517
   78   HG12  ILE   9          2HG1      ILE   9  -3.397   5.690  -0.080
   79   HG13  ILE   9          1HG1      ILE   9  -3.932   5.889   1.589
   80   HG21  ILE   9          1HG2      ILE   9  -0.953   3.519   0.099
   81   HG22  ILE   9          2HG2      ILE   9  -2.476   4.077  -0.595
   82   HG23  ILE   9          3HG2      ILE   9  -2.480   2.841   0.662
   83   HD11  ILE   9          3HD1      ILE   9  -1.333   7.149   0.969
   84   HD12  ILE   9          1HD1      ILE   9  -2.700   7.780   1.891
   85   HD13  ILE   9          2HD1      ILE   9  -2.714   7.854   0.129
   86    H    VAL  10           H        VAL  10  -0.493   4.054   4.200
   87    HA   VAL  10           HA       VAL  10   0.572   1.528   3.341
   88    HB   VAL  10           HB       VAL  10   1.765   3.423   4.485
   89   HG11  VAL  10          1HG1      VAL  10   1.390   3.958   6.714
   90   HG12  VAL  10          2HG1      VAL  10   0.757   2.358   7.098
   91   HG13  VAL  10          3HG1      VAL  10  -0.242   3.512   6.215
   92   HG21  VAL  10          3HG2      VAL  10   2.842   1.744   6.275
   93   HG22  VAL  10          1HG2      VAL  10   3.110   1.547   4.543
   94   HG23  VAL  10          2HG2      VAL  10   1.892   0.571   5.362
   95    H    HIS  11           H        HIS  11  -1.831   2.413   5.754
   96    HA   HIS  11           HA       HIS  11  -1.826   0.158   7.438
   97    HB2  HIS  11           2HB      HIS  11  -3.194   2.194   7.717
   98    HB3  HIS  11           1HB      HIS  11  -4.153   1.749   6.309
   99    HD1  HIS  11           HD1      HIS  11  -5.423   2.035   9.150
  100    HD2  HIS  11           HD2      HIS  11  -4.147  -1.576   7.502
  101    HE1  HIS  11           HE1      HIS  11  -6.700   0.208  10.350
  102    H    VAL  12           H        VAL  12  -4.682   0.211   5.429
  103    HA   VAL  12           HA       VAL  12  -4.833  -2.548   5.084
  104    HB   VAL  12           HB       VAL  12  -6.081  -1.825   2.893
  105   HG11  VAL  12          1HG1      VAL  12  -6.986  -2.418   5.198
  106   HG12  VAL  12          2HG1      VAL  12  -8.002  -1.357   4.219
  107   HG13  VAL  12          3HG1      VAL  12  -7.022  -0.684   5.523
  108   HG21  VAL  12          3HG2      VAL  12  -6.442   0.832   4.041
  109   HG22  VAL  12          1HG2      VAL  12  -6.108   0.378   2.371
  110   HG23  VAL  12          2HG2      VAL  12  -4.780   0.577   3.513
  111    H    GLY  13           H        GLY  13  -2.697  -0.307   3.489
  112    HA2  GLY  13           2HA      GLY  13  -2.038  -1.571   1.091
  113    HA3  GLY  13           1HA      GLY  13  -0.815  -0.833   2.139
  114    H    LYS  14           H        LYS  14  -1.228  -2.463   4.403
  115    HA   LYS  14           HA       LYS  14   0.245  -4.885   3.627
  116    HB2  LYS  14           2HB      LYS  14  -0.248  -3.236   5.950
  117    HB3  LYS  14           1HB      LYS  14  -0.599  -4.921   6.342
  118    HG2  LYS  14           2HG      LYS  14   1.749  -4.512   6.785
  119    HG3  LYS  14           1HG      LYS  14   1.624  -5.545   5.360
  120    HD2  LYS  14           2HD      LYS  14   2.202  -3.818   3.892
  121    HD3  LYS  14           1HD      LYS  14   1.730  -2.559   5.034
  122    HE2  LYS  14           2HE      LYS  14   3.900  -2.417   5.673
  123    HE3  LYS  14           1HE      LYS  14   3.777  -4.071   6.304
  124    HZ1  LYS  14           3HZ      LYS  14   4.266  -3.394   3.452
  125    HZ2  LYS  14           1HZ      LYS  14   4.264  -4.945   4.139
  126    HZ3  LYS  14           2HZ      LYS  14   5.484  -3.836   4.550
  127    H    THR  15           H        THR  15  -2.987  -3.954   4.754
  128    HA   THR  15           HA       THR  15  -4.141  -6.432   5.354
  129    HB   THR  15           HB       THR  15  -5.190  -3.969   3.962
  130    HG1  THR  15           HG1      THR  15  -5.223  -5.066   6.555
  131   HG21  THR  15          3HG2      THR  15  -6.378  -6.583   4.056
  132   HG22  THR  15          1HG2      THR  15  -7.034  -5.100   3.362
  133   HG23  THR  15          2HG2      THR  15  -7.320  -5.479   5.060
  134    H    ILE  16           H        ILE  16  -4.929  -4.963   2.220
  135    HA   ILE  16           HA       ILE  16  -5.610  -7.243   0.808
  136    HB   ILE  16           HB       ILE  16  -4.748  -5.903  -1.185
  137   HG12  ILE  16          2HG1      ILE  16  -4.253  -3.464   0.146
  138   HG13  ILE  16          1HG1      ILE  16  -3.273  -4.674   0.974
  139   HG21  ILE  16          1HG2      ILE  16  -6.487  -4.675   0.958
  140   HG22  ILE  16          2HG2      ILE  16  -6.993  -5.496  -0.519
  141   HG23  ILE  16          3HG2      ILE  16  -6.252  -3.898  -0.607
  142   HD11  ILE  16          3HD1      ILE  16  -2.180  -3.548  -1.043
  143   HD12  ILE  16          1HD1      ILE  16  -3.338  -4.431  -2.040
  144   HD13  ILE  16          2HD1      ILE  16  -2.175  -5.311  -1.048
  145    H    HIS  17           H        HIS  17  -2.359  -6.107   1.619
  146    HA   HIS  17           HA       HIS  17  -0.928  -7.956  -0.092
  147    HB2  HIS  17           2HB      HIS  17   0.119  -5.938   0.730
  148    HB3  HIS  17           1HB      HIS  17  -0.245  -6.371   2.400
  149    HD1  HIS  17           HD1      HIS  17   2.587  -6.194   0.449
  150    HD2  HIS  17           HD2      HIS  17   0.957  -9.344   2.641
  151    HE1  HIS  17           HE1      HIS  17   4.480  -7.819   0.883
  152    H    ARG  18           H        ARG  18  -2.198  -8.041   3.207
  153    HA   ARG  18           HA       ARG  18  -0.911 -10.594   3.848
  154    HB2  ARG  18           2HB      ARG  18  -1.437  -8.920   5.555
  155    HB3  ARG  18           1HB      ARG  18  -3.146  -8.973   5.114
  156    HG2  ARG  18           2HG      ARG  18  -1.705 -11.482   5.930
  157    HG3  ARG  18           1HG      ARG  18  -2.349 -10.385   7.153
  158    HD2  ARG  18           2HD      ARG  18  -4.361 -10.758   5.134
  159    HD3  ARG  18           1HD      ARG  18  -3.789 -12.351   5.671
  160    HE   ARG  18           HE       ARG  18  -4.422 -11.781   7.937
  161   HH11  ARG  18          1HH2      ARG  18  -6.680 -10.665   6.065
  162   HH12  ARG  18          2HH2      ARG  18  -7.016  -9.173   6.879
  163   HH21  ARG  18          1HH1      ARG  18  -4.133  -9.269   8.805
  164   HH22  ARG  18          2HH1      ARG  18  -5.573  -8.382   8.429
  165    H    LEU  19           H        LEU  19  -3.904  -9.521   2.380
  166    HA   LEU  19           HA       LEU  19  -5.427 -11.932   2.797
  167    HB2  LEU  19           2HB      LEU  19  -5.472  -9.527   1.011
  168    HB3  LEU  19           1HB      LEU  19  -6.549 -10.872   0.640
  169    HG   LEU  19           HG       LEU  19  -7.416  -8.976   2.194
  170   HD11  LEU  19          1HD1      LEU  19  -8.986 -10.591   2.324
  171   HD12  LEU  19          2HD1      LEU  19  -8.157 -11.157   3.774
  172   HD13  LEU  19          3HD1      LEU  19  -7.773 -11.865   2.206
  173   HD21  LEU  19          3HD2      LEU  19  -5.279  -9.174   3.626
  174   HD22  LEU  19          1HD2      LEU  19  -6.014 -10.633   4.292
  175   HD23  LEU  19          2HD2      LEU  19  -6.815  -9.073   4.486
  176    H    VAL  20           H        VAL  20  -3.152 -10.866   0.335
  177    HA   VAL  20           HA       VAL  20  -3.612 -13.069  -1.500
  178    HB   VAL  20           HB       VAL  20  -1.814 -12.111  -2.687
  179   HG11  VAL  20          1HG1      VAL  20  -2.152  -9.670  -1.079
  180   HG12  VAL  20          2HG1      VAL  20  -3.653 -10.411  -1.632
  181   HG13  VAL  20          3HG1      VAL  20  -2.425  -9.927  -2.802
  182   HG21  VAL  20          3HG2      VAL  20  -0.728 -11.533   0.052
  183   HG22  VAL  20          1HG2      VAL  20  -0.139 -10.604  -1.326
  184   HG23  VAL  20          2HG2      VAL  20   0.052 -12.358  -1.297
  185    H    THR  21           H        THR  21  -1.623 -12.507   1.327
  186    HA   THR  21           HA       THR  21  -0.080 -14.947   0.919
  187    HB   THR  21           HB       THR  21  -0.073 -13.441   3.489
  188    HG1  THR  21           HG1      THR  21   0.953 -12.375   1.071
  189   HG21  THR  21          3HG2      THR  21   1.865 -14.795   1.657
  190   HG22  THR  21          1HG2      THR  21   1.690 -14.935   3.407
  191   HG23  THR  21          2HG2      THR  21   2.466 -13.514   2.710
  192    H    GLY  22           HN       GLY  22  -2.448 -13.731   3.285
  193    HA2  GLY  22           2HA      GLY  22  -3.393 -16.502   3.725
  194    HA3  GLY  22           1HA      GLY  22  -2.769 -15.648   5.137
  Start of MODEL   16
    1    H1   PHE   1           1HT      PHE   1   3.494   7.688  15.571
    2    H2   PHE   1           2HT      PHE   1   4.149   9.182  16.041
    3    H3   PHE   1           3HT      PHE   1   4.115   7.885  17.136
    4    HA   PHE   1           HA       PHE   1   6.346   8.069  16.324
    5    HB2  PHE   1           2HB      PHE   1   4.793   5.835  14.975
    6    HB3  PHE   1           1HB      PHE   1   6.497   5.789  15.428
    7    HD1  PHE   1           HD1      PHE   1   6.701   6.840  18.052
    8    HD2  PHE   1           HD2      PHE   1   3.512   4.494  16.383
    9    HE1  PHE   1           HE1      PHE   1   6.076   6.070  20.327
   10    HE2  PHE   1           HE2      PHE   1   2.888   3.724  18.656
   11    HZ   PHE   1           HZ       PHE   1   4.169   4.513  20.628
   12    H    PHE   2           H        PHE   2   6.810   6.568  13.741
   13    HA   PHE   2           HA       PHE   2   7.066   8.905  12.005
   14    HB2  PHE   2           2HB      PHE   2   7.839   6.019  12.049
   15    HB3  PHE   2           1HB      PHE   2   7.815   6.826  10.481
   16    HD1  PHE   2           HD2      PHE   2   8.942   9.237  10.456
   17    HD2  PHE   2           HD1      PHE   2   9.780   6.161  13.335
   18    HE1  PHE   2           HE2      PHE   2  11.116  10.314  10.973
   19    HE2  PHE   2           HE1      PHE   2  11.954   7.237  13.852
   20    HZ   PHE   2           HZ       PHE   2  12.622   9.313  12.671
   21    H    HIS   3           H        HIS   3   4.429   7.083  12.719
   22    HA   HIS   3           HA       HIS   3   3.421   6.751   9.950
   23    HB2  HIS   3           2HB      HIS   3   2.154   6.203  12.654
   24    HB3  HIS   3           1HB      HIS   3   1.589   5.599  11.096
   25    HD1  HIS   3           HD1      HIS   3   4.759   5.149  10.234
   26    HD2  HIS   3           HD2      HIS   3   2.672   3.443  13.415
   27    HE1  HIS   3           HE1      HIS   3   5.991   3.020  10.838
   28    H    HIS   4           H        HIS   4   3.135   8.932  12.669
   29    HA   HIS   4           HA       HIS   4   0.696  10.217  11.588
   30    HB2  HIS   4           2HB      HIS   4   1.781   9.791  14.091
   31    HB3  HIS   4           1HB      HIS   4   2.138  11.489  13.803
   32    HD1  HIS   4           HD1      HIS   4   0.166  11.291  15.925
   33    HD2  HIS   4           HD2      HIS   4  -0.965  10.967  11.950
   34    HE1  HIS   4           HE1      HIS   4  -2.314  11.811  15.854
   35    H    ILE   5           H        ILE   5   4.166  10.670  11.618
   36    HA   ILE   5           HA       ILE   5   4.252  13.485  11.045
   37    HB   ILE   5           HB       ILE   5   6.559  12.923  10.350
   38   HG12  ILE   5          2HG1      ILE   5   6.951  10.279  10.726
   39   HG13  ILE   5          1HG1      ILE   5   5.310  10.236  10.090
   40   HG21  ILE   5          1HG2      ILE   5   7.271  11.854  12.443
   41   HG22  ILE   5          2HG2      ILE   5   5.622  11.299  12.733
   42   HG23  ILE   5          3HG2      ILE   5   5.990  13.024  12.762
   43   HD11  ILE   5          3HD1      ILE   5   6.044  11.599   8.151
   44   HD12  ILE   5          1HD1      ILE   5   6.930  10.078   8.254
   45   HD13  ILE   5          2HD1      ILE   5   7.692  11.579   8.779
   46    H    PHE   6           H        PHE   6   3.872  10.613   9.008
   47    HA   PHE   6           HA       PHE   6   3.658  12.411   6.616
   48    HB2  PHE   6           2HB      PHE   6   5.247  10.148   7.188
   49    HB3  PHE   6           1HB      PHE   6   4.032   9.604   6.038
   50    HD1  PHE   6           HD2      PHE   6   3.533  11.416   4.093
   51    HD2  PHE   6           HD1      PHE   6   7.198  11.045   6.303
   52    HE1  PHE   6           HE2      PHE   6   4.755  12.557   2.260
   53    HE2  PHE   6           HE1      PHE   6   8.420  12.187   4.470
   54    HZ   PHE   6           HZ       PHE   6   7.197  12.942   2.449
   55    H    ARG   7           H        ARG   7   2.527  10.128   5.055
   56    HA   ARG   7           HA       ARG   7   0.026   9.367   6.379
   57    HB2  ARG   7           2HB      ARG   7  -1.298  10.767   4.660
   58    HB3  ARG   7           1HB      ARG   7  -0.541  11.638   5.993
   59    HG2  ARG   7           2HG      ARG   7  -0.019  12.866   4.000
   60    HG3  ARG   7           1HG      ARG   7   1.456  12.021   4.464
   61    HD2  ARG   7           2HD      ARG   7   1.142  10.347   2.773
   62    HD3  ARG   7           1HD      ARG   7  -0.518  10.890   2.456
   63    HE   ARG   7           HE       ARG   7   0.797  13.174   1.950
   64   HH11  ARG   7          1HH1      ARG   7   0.536  10.272   0.345
   65   HH12  ARG   7          2HH1      ARG   7   1.874  10.524  -0.726
   66   HH21  ARG   7          1HH2      ARG   7   2.998  13.362   0.919
   67   HH22  ARG   7          2HH2      ARG   7   3.268  12.274  -0.401
   68    HA   PRO   8           HA       PRO   8   1.152   7.235   2.361
   69    HB2  PRO   8           2HB      PRO   8   2.455   5.000   3.254
   70    HB3  PRO   8           1HB      PRO   8   3.300   6.504   2.830
   71    HG2  PRO   8           2HG      PRO   8   2.514   5.470   5.510
   72    HG3  PRO   8           1HG      PRO   8   4.014   6.266   5.004
   73    HD2  PRO   8           2HD      PRO   8   2.059   7.569   6.339
   74    HD3  PRO   8           1HD      PRO   8   3.107   8.364   5.147
   75    H    ILE   9           H        ILE   9   0.037   5.287   1.616
   76    HA   ILE   9           HA       ILE   9  -2.248   4.543   3.294
   77    HB   ILE   9           HB       ILE   9  -2.172   4.964   0.770
   78   HG12  ILE   9          2HG1      ILE   9  -3.705   2.968   0.309
   79   HG13  ILE   9          1HG1      ILE   9  -3.339   2.432   1.950
   80   HG21  ILE   9          1HG2      ILE   9  -0.885   2.220   0.890
   81   HG22  ILE   9          2HG2      ILE   9  -0.170   3.694   0.236
   82   HG23  ILE   9          3HG2      ILE   9  -1.542   2.942  -0.579
   83   HD11  ILE   9          3HD1      ILE   9  -3.977   4.967   2.513
   84   HD12  ILE   9          1HD1      ILE   9  -5.207   3.708   2.397
   85   HD13  ILE   9          2HD1      ILE   9  -4.922   4.792   1.035
   86    H    VAL  10           H        VAL  10   0.834   3.594   3.538
   87    HA   VAL  10           HA       VAL  10   1.200   0.890   3.283
   88    HB   VAL  10           HB       VAL  10   2.668   2.662   4.365
   89   HG11  VAL  10          1HG1      VAL  10   1.196   1.862   6.886
   90   HG12  VAL  10          2HG1      VAL  10   0.820   3.334   5.991
   91   HG13  VAL  10          3HG1      VAL  10   2.420   3.118   6.702
   92   HG21  VAL  10          3HG2      VAL  10   3.891   0.814   4.784
   93   HG22  VAL  10          1HG2      VAL  10   2.431  -0.163   4.937
   94   HG23  VAL  10          2HG2      VAL  10   3.077   0.683   6.343
   95    H    HIS  11           H        HIS  11  -1.081   2.447   5.469
   96    HA   HIS  11           HA       HIS  11  -1.595   0.415   7.335
   97    HB2  HIS  11           2HB      HIS  11  -2.568   2.716   7.244
   98    HB3  HIS  11           1HB      HIS  11  -3.593   2.203   5.906
   99    HD1  HIS  11           HD1      HIS  11  -4.272   2.980   9.090
  100    HD2  HIS  11           HD2      HIS  11  -4.592  -0.704   7.165
  101    HE1  HIS  11           HE1      HIS  11  -5.930   1.613  10.430
  102    H    VAL  12           H        VAL  12  -4.359   0.682   5.249
  103    HA   VAL  12           HA       VAL  12  -4.807  -2.076   5.077
  104    HB   VAL  12           HB       VAL  12  -6.020  -1.341   2.872
  105   HG11  VAL  12          1HG1      VAL  12  -6.797   0.044   5.436
  106   HG12  VAL  12          2HG1      VAL  12  -6.926  -1.705   5.231
  107   HG13  VAL  12          3HG1      VAL  12  -7.858  -0.622   4.193
  108   HG21  VAL  12          3HG2      VAL  12  -4.466   0.942   3.341
  109   HG22  VAL  12          1HG2      VAL  12  -6.085   1.397   3.873
  110   HG23  VAL  12          2HG2      VAL  12  -5.827   0.821   2.226
  111    H    GLY  13           H        GLY  13  -2.485  -0.133   3.371
  112    HA2  GLY  13           2HA      GLY  13  -1.983  -1.577   1.029
  113    HA3  GLY  13           1HA      GLY  13  -0.685  -0.890   2.021
  114    H    LYS  14           H        LYS  14  -1.241  -2.346   4.381
  115    HA   LYS  14           HA       LYS  14   0.019  -4.926   3.748
  116    HB2  LYS  14           2HB      LYS  14  -0.283  -3.101   5.958
  117    HB3  LYS  14           1HB      LYS  14  -0.820  -4.703   6.466
  118    HG2  LYS  14           2HG      LYS  14   1.503  -4.719   6.899
  119    HG3  LYS  14           1HG      LYS  14   1.349  -5.567   5.360
  120    HD2  LYS  14           2HD      LYS  14   1.822  -3.421   4.175
  121    HD3  LYS  14           1HD      LYS  14   2.093  -2.653   5.740
  122    HE2  LYS  14           2HE      LYS  14   4.274  -3.277   5.009
  123    HE3  LYS  14           1HE      LYS  14   3.815  -4.569   6.138
  124    HZ1  LYS  14           3HZ      LYS  14   4.576  -5.554   4.093
  125    HZ2  LYS  14           1HZ      LYS  14   3.500  -4.610   3.183
  126    HZ3  LYS  14           2HZ      LYS  14   2.902  -5.805   4.232
  127    H    THR  15           H        THR  15  -3.121  -3.649   4.768
  128    HA   THR  15           HA       THR  15  -4.478  -5.970   5.551
  129    HB   THR  15           HB       THR  15  -5.304  -3.519   4.001
  130    HG1  THR  15           HG1      THR  15  -5.942  -4.442   6.602
  131   HG21  THR  15          3HG2      THR  15  -7.587  -4.746   5.109
  132   HG22  THR  15          1HG2      THR  15  -6.724  -6.019   4.243
  133   HG23  THR  15          2HG2      THR  15  -7.209  -4.548   3.398
  134    H    ILE  16           H        ILE  16  -5.220  -4.695   2.327
  135    HA   ILE  16           HA       ILE  16  -6.019  -7.062   1.116
  136    HB   ILE  16           HB       ILE  16  -5.349  -5.909  -0.994
  137   HG12  ILE  16          2HG1      ILE  16  -4.246  -3.643   0.622
  138   HG13  ILE  16          1HG1      ILE  16  -3.197  -5.024   0.303
  139   HG21  ILE  16          1HG2      ILE  16  -6.969  -4.825   1.150
  140   HG22  ILE  16          2HG2      ILE  16  -7.266  -4.797  -0.589
  141   HG23  ILE  16          3HG2      ILE  16  -6.300  -3.526   0.162
  142   HD11  ILE  16          3HD1      ILE  16  -2.964  -4.484  -1.884
  143   HD12  ILE  16          1HD1      ILE  16  -3.594  -2.904  -1.422
  144   HD13  ILE  16          2HD1      ILE  16  -4.683  -4.133  -2.064
  145    H    HIS  17           H        HIS  17  -2.753  -5.993   1.852
  146    HA   HIS  17           HA       HIS  17  -1.370  -7.937   0.201
  147    HB2  HIS  17           2HB      HIS  17  -0.270  -5.918   0.944
  148    HB3  HIS  17           1HB      HIS  17  -0.647  -6.272   2.628
  149    HD1  HIS  17           HD1      HIS  17   2.191  -6.244   0.680
  150    HD2  HIS  17           HD2      HIS  17   0.482  -9.262   2.994
  151    HE1  HIS  17           HE1      HIS  17   4.042  -7.898   1.183
  152    H    ARG  18           H        ARG  18  -2.673  -7.880   3.487
  153    HA   ARG  18           HA       ARG  18  -1.395 -10.323   4.367
  154    HB2  ARG  18           2HB      ARG  18  -2.372  -8.566   5.834
  155    HB3  ARG  18           1HB      ARG  18  -3.979  -8.981   5.231
  156    HG2  ARG  18           2HG      ARG  18  -2.204 -11.109   6.392
  157    HG3  ARG  18           1HG      ARG  18  -3.159 -10.072   7.455
  158    HD2  ARG  18           2HD      ARG  18  -4.827 -10.979   5.278
  159    HD3  ARG  18           1HD      ARG  18  -4.066 -12.375   6.070
  160    HE   ARG  18           HE       ARG  18  -5.040 -10.408   7.984
  161   HH11  ARG  18          1HH2      ARG  18  -7.076 -11.609   5.810
  162   HH12  ARG  18          2HH2      ARG  18  -7.890 -12.745   6.833
  163   HH21  ARG  18          1HH1      ARG  18  -5.561 -12.512   9.392
  164   HH22  ARG  18          2HH1      ARG  18  -7.032 -13.256   8.860
  165    H    LEU  19           H        LEU  19  -3.966  -9.653   2.197
  166    HA   LEU  19           HA       LEU  19  -5.325 -12.233   2.580
  167    HB2  LEU  19           2HB      LEU  19  -5.752  -9.669   1.293
  168    HB3  LEU  19           1HB      LEU  19  -6.142 -10.991   0.194
  169    HG   LEU  19           HG       LEU  19  -7.268 -10.513   2.964
  170   HD11  LEU  19          1HD1      LEU  19  -8.089  -9.803   0.327
  171   HD12  LEU  19          2HD1      LEU  19  -8.969  -9.567   1.837
  172   HD13  LEU  19          3HD1      LEU  19  -9.192 -11.050   0.909
  173   HD21  LEU  19          3HD2      LEU  19  -7.244 -12.801   3.057
  174   HD22  LEU  19          1HD2      LEU  19  -7.052 -12.969   1.311
  175   HD23  LEU  19          2HD2      LEU  19  -8.646 -12.647   1.996
  176    H    VAL  20           H        VAL  20  -3.572 -10.659  -0.072
  177    HA   VAL  20           HA       VAL  20  -3.417 -12.772  -1.904
  178    HB   VAL  20           HB       VAL  20  -1.650 -11.558  -2.866
  179   HG11  VAL  20          1HG1      VAL  20  -3.657 -10.093  -1.853
  180   HG12  VAL  20          2HG1      VAL  20  -2.323  -9.376  -2.762
  181   HG13  VAL  20          3HG1      VAL  20  -2.303  -9.357  -0.996
  182   HG21  VAL  20          3HG2      VAL  20  -0.040 -12.030  -1.029
  183   HG22  VAL  20          1HG2      VAL  20  -0.777 -10.742  -0.077
  184   HG23  VAL  20          2HG2      VAL  20   0.064 -10.357  -1.578
  185    H    THR  21           H        THR  21  -1.403 -12.159   0.944
  186    HA   THR  21           HA       THR  21   0.201 -14.537   0.527
  187    HB   THR  21           HB       THR  21  -0.099 -12.474   2.711
  188    HG1  THR  21           HG1      THR  21   2.256 -12.961   1.331
  189   HG21  THR  21          3HG2      THR  21   2.017 -14.631   2.599
  190   HG22  THR  21          1HG2      THR  21   0.564 -14.767   3.590
  191   HG23  THR  21          2HG2      THR  21   1.723 -13.473   3.896
  192    H    GLY  22           HN       GLY  22  -2.091 -13.528   3.073
  193    HA2  GLY  22           2HA      GLY  22  -3.810 -14.919   4.023
  194    HA3  GLY  22           1HA      GLY  22  -3.038 -16.327   3.291
  Start of MODEL   17
    1    H1   PHE   1           1HT      PHE   1  -3.112  12.250  12.191
    2    H2   PHE   1           2HT      PHE   1  -3.645  10.836  11.411
    3    H3   PHE   1           3HT      PHE   1  -4.697  11.694  12.434
    4    HA   PHE   1           HA       PHE   1  -5.187  12.092  10.062
    5    HB2  PHE   1           2HB      PHE   1  -5.528  13.673  12.048
    6    HB3  PHE   1           1HB      PHE   1  -4.071  14.506  11.507
    7    HD1  PHE   1           HD2      PHE   1  -7.280  13.172  10.079
    8    HD2  PHE   1           HD1      PHE   1  -4.327  16.291  10.034
    9    HE1  PHE   1           HE2      PHE   1  -8.611  14.408   8.390
   10    HE2  PHE   1           HE1      PHE   1  -5.657  17.527   8.346
   11    HZ   PHE   1           HZ       PHE   1  -7.800  16.586   7.524
   12    H    PHE   2           H        PHE   2  -1.972  11.786  10.722
   13    HA   PHE   2           HA       PHE   2  -0.823  13.621   8.767
   14    HB2  PHE   2           2HB      PHE   2  -0.009  11.808  10.832
   15    HB3  PHE   2           1HB      PHE   2   0.865  11.391   9.358
   16    HD1  PHE   2           HD1      PHE   2   0.988  14.077   8.046
   17    HD2  PHE   2           HD2      PHE   2   1.650  12.907  12.125
   18    HE1  PHE   2           HE1      PHE   2   2.471  16.039   8.368
   19    HE2  PHE   2           HE2      PHE   2   3.132  14.870  12.448
   20    HZ   PHE   2           HZ       PHE   2   3.542  16.436  10.569
   21    H    HIS   3           H        HIS   3  -2.763  10.993   8.321
   22    HA   HIS   3           HA       HIS   3  -1.254   9.883   6.004
   23    HB2  HIS   3           2HB      HIS   3  -3.506   9.058   7.795
   24    HB3  HIS   3           1HB      HIS   3  -3.449   8.367   6.173
   25    HD1  HIS   3           HD1      HIS   3  -2.071   7.934   9.502
   26    HD2  HIS   3           HD2      HIS   3  -0.763   7.127   5.626
   27    HE1  HIS   3           HE1      HIS   3  -0.165   6.280   9.719
   28    H    HIS   4           H        HIS   4  -3.717  12.155   6.707
   29    HA   HIS   4           HA       HIS   4  -5.152  11.818   4.151
   30    HB2  HIS   4           2HB      HIS   4  -5.319  13.616   6.568
   31    HB3  HIS   4           1HB      HIS   4  -6.280  13.948   5.127
   32    HD1  HIS   4           HD1      HIS   4  -5.639  10.376   5.816
   33    HD2  HIS   4           HD2      HIS   4  -8.608  13.160   6.715
   34    HE1  HIS   4           HE1      HIS   4  -7.644   9.052   6.616
   35    H    ILE   5           H        ILE   5  -2.816  14.041   5.622
   36    HA   ILE   5           HA       ILE   5  -2.845  16.055   3.589
   37    HB   ILE   5           HB       ILE   5  -0.622  16.597   4.597
   38   HG12  ILE   5          2HG1      ILE   5  -0.268  14.948   6.707
   39   HG13  ILE   5          1HG1      ILE   5  -0.962  13.803   5.562
   40   HG21  ILE   5          1HG2      ILE   5  -3.078  16.801   5.735
   41   HG22  ILE   5          2HG2      ILE   5  -1.608  17.416   6.490
   42   HG23  ILE   5          3HG2      ILE   5  -2.246  15.841   6.959
   43   HD11  ILE   5          3HD1      ILE   5   1.402  13.730   5.211
   44   HD12  ILE   5          1HD1      ILE   5   1.524  15.488   5.213
   45   HD13  ILE   5          2HD1      ILE   5   0.740  14.660   3.867
   46    H    PHE   6           H        PHE   6  -1.079  12.993   3.892
   47    HA   PHE   6           HA       PHE   6   0.116  13.471   1.183
   48    HB2  PHE   6           2HB      PHE   6   1.157  12.658   3.711
   49    HB3  PHE   6           1HB      PHE   6   1.283  11.278   2.625
   50    HD1  PHE   6           HD2      PHE   6   2.084  11.924   0.144
   51    HD2  PHE   6           HD1      PHE   6   2.898  14.202   3.694
   52    HE1  PHE   6           HE2      PHE   6   4.023  12.985  -0.981
   53    HE2  PHE   6           HE1      PHE   6   4.837  15.263   2.570
   54    HZ   PHE   6           HZ       PHE   6   5.399  14.654   0.232
   55    H    ARG   7           H        ARG   7   0.794  10.716   0.756
   56    HA   ARG   7           HA       ARG   7  -1.848   9.321   0.757
   57    HB2  ARG   7           2HB      ARG   7  -1.245   8.781  -1.711
   58    HB3  ARG   7           1HB      ARG   7  -1.852  10.395  -1.346
   59    HG2  ARG   7           2HG      ARG   7   1.098   9.948  -1.179
   60    HG3  ARG   7           1HG      ARG   7   0.370  10.039  -2.783
   61    HD2  ARG   7           2HD      ARG   7  -0.785  12.195  -1.943
   62    HD3  ARG   7           1HD      ARG   7   0.396  12.150  -0.619
   63    HE   ARG   7           HE       ARG   7   1.829  11.707  -3.017
   64   HH11  ARG   7          1HH1      ARG   7   1.427  14.055  -0.777
   65   HH12  ARG   7          2HH1      ARG   7   1.600  15.407  -1.844
   66   HH21  ARG   7          1HH2      ARG   7   1.410  13.494  -4.730
   67   HH22  ARG   7          2HH2      ARG   7   1.590  15.090  -4.083
   68    HA   PRO   8           HA       PRO   8   1.340   6.152   1.157
   69    HB2  PRO   8           2HB      PRO   8   2.037   6.141   3.807
   70    HB3  PRO   8           1HB      PRO   8   2.806   7.205   2.611
   71    HG2  PRO   8           2HG      PRO   8   0.596   7.809   4.529
   72    HG3  PRO   8           1HG      PRO   8   2.036   8.767   4.137
   73    HD2  PRO   8           2HD      PRO   8  -0.337   9.364   3.070
   74    HD3  PRO   8           1HD      PRO   8   1.164   9.509   2.131
   75    H    ILE   9           H        ILE   9  -0.832   5.009   0.829
   76    HA   ILE   9           HA       ILE   9  -2.422   4.124   3.053
   77    HB   ILE   9           HB       ILE   9  -1.946   3.147   0.227
   78   HG12  ILE   9          2HG1      ILE   9  -4.511   3.988   0.349
   79   HG13  ILE   9          1HG1      ILE   9  -3.816   5.000   1.616
   80   HG21  ILE   9          1HG2      ILE   9  -4.423   2.191   1.237
   81   HG22  ILE   9          2HG2      ILE   9  -3.184   1.743   2.408
   82   HG23  ILE   9          3HG2      ILE   9  -3.029   1.239   0.726
   83   HD11  ILE   9          3HD1      ILE   9  -2.373   6.089   0.143
   84   HD12  ILE   9          1HD1      ILE   9  -3.788   5.838  -0.879
   85   HD13  ILE   9          2HD1      ILE   9  -2.397   4.762  -1.019
   86    H    VAL  10           H        VAL  10  -0.179   3.634   4.274
   87    HA   VAL  10           HA       VAL  10   1.049   1.055   3.638
   88    HB   VAL  10           HB       VAL  10   2.191   3.040   4.666
   89   HG11  VAL  10          1HG1      VAL  10   1.733   3.692   6.910
   90   HG12  VAL  10          2HG1      VAL  10   0.739   2.264   7.201
   91   HG13  VAL  10          3HG1      VAL  10   0.152   3.545   6.142
   92   HG21  VAL  10          3HG2      VAL  10   3.675   1.635   5.662
   93   HG22  VAL  10          1HG2      VAL  10   2.561   0.355   5.182
   94   HG23  VAL  10          2HG2      VAL  10   2.472   1.038   6.805
   95    H    HIS  11           H        HIS  11  -1.271   2.283   6.050
   96    HA   HIS  11           HA       HIS  11  -1.498   0.079   7.739
   97    HB2  HIS  11           2HB      HIS  11  -3.970   0.884   7.855
   98    HB3  HIS  11           1HB      HIS  11  -2.709   2.050   8.262
   99    HD1  HIS  11           HD1      HIS  11  -4.602   3.860   7.425
  100    HD2  HIS  11           HD2      HIS  11  -2.894   1.416   4.527
  101    HE1  HIS  11           HE1      HIS  11  -5.114   4.950   5.193
  102    H    VAL  12           H        VAL  12  -4.424   0.282   5.881
  103    HA   VAL  12           HA       VAL  12  -4.758  -2.453   5.573
  104    HB   VAL  12           HB       VAL  12  -6.077  -1.682   3.452
  105   HG11  VAL  12          1HG1      VAL  12  -6.855  -2.123   5.851
  106   HG12  VAL  12          2HG1      VAL  12  -7.869  -1.054   4.875
  107   HG13  VAL  12          3HG1      VAL  12  -6.772  -0.374   6.078
  108   HG21  VAL  12          3HG2      VAL  12  -6.092   0.540   2.927
  109   HG22  VAL  12          1HG2      VAL  12  -4.545   0.576   3.774
  110   HG23  VAL  12          2HG2      VAL  12  -6.024   1.033   4.619
  111    H    GLY  13           H        GLY  13  -2.548  -0.380   3.849
  112    HA2  GLY  13           2HA      GLY  13  -2.098  -1.717   1.442
  113    HA3  GLY  13           1HA      GLY  13  -0.778  -1.050   2.418
  114    H    LYS  14           H        LYS  14  -1.183  -2.621   4.727
  115    HA   LYS  14           HA       LYS  14   0.073  -5.152   3.905
  116    HB2  LYS  14           2HB      LYS  14  -0.518  -3.618   6.409
  117    HB3  LYS  14           1HB      LYS  14  -0.255  -5.356   6.562
  118    HG2  LYS  14           2HG      LYS  14   1.957  -4.929   6.527
  119    HG3  LYS  14           1HG      LYS  14   1.765  -4.488   4.830
  120    HD2  LYS  14           2HD      LYS  14   1.431  -2.174   5.383
  121    HD3  LYS  14           1HD      LYS  14   1.302  -2.543   7.103
  122    HE2  LYS  14           2HE      LYS  14   3.810  -3.426   5.752
  123    HE3  LYS  14           1HE      LYS  14   3.611  -1.682   6.011
  124    HZ1  LYS  14           3HZ      LYS  14   3.471  -1.926   8.264
  125    HZ2  LYS  14           1HZ      LYS  14   4.523  -3.211   7.918
  126    HZ3  LYS  14           2HZ      LYS  14   2.871  -3.514   8.177
  127    H    THR  15           H        THR  15  -3.030  -3.969   5.134
  128    HA   THR  15           HA       THR  15  -4.305  -6.365   5.865
  129    HB   THR  15           HB       THR  15  -5.269  -3.855   4.497
  130    HG1  THR  15           HG1      THR  15  -5.501  -4.926   7.114
  131   HG21  THR  15          3HG2      THR  15  -7.421  -5.212   5.749
  132   HG22  THR  15          1HG2      THR  15  -6.613  -6.383   4.705
  133   HG23  THR  15          2HG2      THR  15  -7.218  -4.869   4.031
  134    H    ILE  16           H        ILE  16  -5.225  -4.880   2.783
  135    HA   ILE  16           HA       ILE  16  -6.089  -7.156   1.452
  136    HB   ILE  16           HB       ILE  16  -5.720  -5.857  -0.567
  137   HG12  ILE  16          2HG1      ILE  16  -4.277  -3.601   0.324
  138   HG13  ILE  16          1HG1      ILE  16  -3.377  -5.005   0.894
  139   HG21  ILE  16          1HG2      ILE  16  -7.063  -4.094   0.018
  140   HG22  ILE  16          2HG2      ILE  16  -6.031  -3.624   1.369
  141   HG23  ILE  16          3HG2      ILE  16  -7.154  -4.972   1.545
  142   HD11  ILE  16          3HD1      ILE  16  -2.796  -4.183  -1.458
  143   HD12  ILE  16          1HD1      ILE  16  -4.381  -4.781  -1.947
  144   HD13  ILE  16          2HD1      ILE  16  -3.175  -5.898  -1.307
  145    H    HIS  17           H        HIS  17  -2.797  -6.195   2.158
  146    HA   HIS  17           HA       HIS  17  -1.513  -8.003   0.270
  147    HB2  HIS  17           2HB      HIS  17  -0.332  -6.064   1.062
  148    HB3  HIS  17           1HB      HIS  17  -0.658  -6.478   2.744
  149    HD1  HIS  17           HD1      HIS  17   2.117  -6.403   0.722
  150    HD2  HIS  17           HD2      HIS  17   0.430  -9.516   2.926
  151    HE1  HIS  17           HE1      HIS  17   3.960  -8.101   1.090
  152    H    ARG  18           H        ARG  18  -2.597  -8.139   3.633
  153    HA   ARG  18           HA       ARG  18  -1.304 -10.629   4.289
  154    HB2  ARG  18           2HB      ARG  18  -2.171  -9.064   5.955
  155    HB3  ARG  18           1HB      ARG  18  -3.807  -9.253   5.317
  156    HG2  ARG  18           2HG      ARG  18  -2.357 -11.730   6.105
  157    HG3  ARG  18           1HG      ARG  18  -2.933 -10.684   7.406
  158    HD2  ARG  18           2HD      ARG  18  -5.194 -10.674   6.094
  159    HD3  ARG  18           1HD      ARG  18  -4.546 -12.122   5.300
  160    HE   ARG  18           HE       ARG  18  -4.043 -12.733   7.881
  161   HH11  ARG  18          1HH1      ARG  18  -6.451 -13.903   6.532
  162   HH12  ARG  18          2HH1      ARG  18  -7.731 -13.427   7.598
  163   HH21  ARG  18          1HH2      ARG  18  -5.847 -10.997   9.201
  164   HH22  ARG  18          2HH2      ARG  18  -7.389 -11.781   9.109
  165    H    LEU  19           H        LEU  19  -4.073  -9.812   2.380
  166    HA   LEU  19           HA       LEU  19  -5.340 -12.449   2.586
  167    HB2  LEU  19           2HB      LEU  19  -5.823  -9.799   1.431
  168    HB3  LEU  19           1HB      LEU  19  -6.388 -11.115   0.401
  169    HG   LEU  19           HG       LEU  19  -7.033 -11.505   3.235
  170   HD11  LEU  19          1HD1      LEU  19  -8.977  -9.636   2.283
  171   HD12  LEU  19          2HD1      LEU  19  -7.386  -8.887   2.146
  172   HD13  LEU  19          3HD1      LEU  19  -7.940  -9.501   3.704
  173   HD21  LEU  19          3HD2      LEU  19  -8.022 -12.131   0.609
  174   HD22  LEU  19          1HD2      LEU  19  -9.312 -11.364   1.535
  175   HD23  LEU  19          2HD2      LEU  19  -8.522 -12.812   2.158
  176    H    VAL  20           H        VAL  20  -3.879 -10.625  -0.080
  177    HA   VAL  20           HA       VAL  20  -3.766 -12.554  -2.078
  178    HB   VAL  20           HB       VAL  20  -2.092 -11.220  -3.036
  179   HG11  VAL  20          1HG1      VAL  20  -2.615  -9.259  -0.865
  180   HG12  VAL  20          2HG1      VAL  20  -4.001  -9.862  -1.773
  181   HG13  VAL  20          3HG1      VAL  20  -2.684  -9.039  -2.614
  182   HG21  VAL  20          3HG2      VAL  20  -0.336 -11.879  -1.412
  183   HG22  VAL  20          1HG2      VAL  20  -0.989 -10.720  -0.255
  184   HG23  VAL  20          2HG2      VAL  20  -0.275 -10.152  -1.764
  185    H    THR  21           H        THR  21  -1.593 -12.193   0.694
  186    HA   THR  21           HA       THR  21  -0.013 -14.516  -0.050
  187    HB   THR  21           HB       THR  21   0.052 -13.279   2.665
  188    HG1  THR  21           HG1      THR  21   0.986 -11.969   0.334
  189   HG21  THR  21          3HG2      THR  21   1.717 -14.922   1.155
  190   HG22  THR  21          1HG2      THR  21   2.164 -14.066   2.631
  191   HG23  THR  21          2HG2      THR  21   2.483 -13.337   1.058
  192    H    GLY  22           HN       GLY  22  -2.065 -13.720   2.763
  193    HA2  GLY  22           2HA      GLY  22  -3.518 -15.107   4.002
  194    HA3  GLY  22           1HA      GLY  22  -3.310 -16.347   2.764
  Start of MODEL   18
    1    H1   PHE   1           1HT      PHE   1  -6.115   5.230  -9.556
    2    H2   PHE   1           2HT      PHE   1  -4.613   4.980  -8.805
    3    H3   PHE   1           3HT      PHE   1  -4.788   6.195  -9.980
    4    HA   PHE   1           HA       PHE   1  -6.322   7.403  -8.516
    5    HB2  PHE   1           2HB      PHE   1  -6.086   4.788  -7.214
    6    HB3  PHE   1           1HB      PHE   1  -5.918   6.128  -6.078
    7    HD1  PHE   1           HD2      PHE   1  -7.640   8.195  -6.871
    8    HD2  PHE   1           HD1      PHE   1  -8.261   3.967  -7.305
    9    HE1  PHE   1           HE2      PHE   1 -10.091   8.561  -6.935
   10    HE2  PHE   1           HE1      PHE   1 -10.712   4.334  -7.370
   11    HZ   PHE   1           HZ       PHE   1 -11.628   6.631  -7.185
   12    H    PHE   2           H        PHE   2  -5.440   8.806  -6.747
   13    HA   PHE   2           HA       PHE   2  -2.557   9.196  -7.062
   14    HB2  PHE   2           2HB      PHE   2  -4.627  10.845  -6.749
   15    HB3  PHE   2           1HB      PHE   2  -4.238  10.630  -5.042
   16    HD1  PHE   2           HD2      PHE   2  -2.002  10.712  -8.041
   17    HD2  PHE   2           HD1      PHE   2  -3.154  12.601  -4.360
   18    HE1  PHE   2           HE2      PHE   2  -0.116  12.306  -8.268
   19    HE2  PHE   2           HE1      PHE   2  -1.268  14.195  -4.587
   20    HZ   PHE   2           HZ       PHE   2   0.251  14.047  -6.541
   21    H    HIS   3           H        HIS   3  -4.190   7.005  -5.264
   22    HA   HIS   3           HA       HIS   3  -2.639   7.364  -2.752
   23    HB2  HIS   3           2HB      HIS   3  -4.885   5.562  -3.687
   24    HB3  HIS   3           1HB      HIS   3  -4.105   5.359  -2.118
   25    HD1  HIS   3           HD1      HIS   3  -7.093   6.196  -2.310
   26    HD2  HIS   3           HD2      HIS   3  -3.933   8.891  -1.945
   27    HE1  HIS   3           HE1      HIS   3  -8.073   8.321  -1.343
   28    H    HIS   4           H        HIS   4  -2.465   5.660  -5.729
   29    HA   HIS   4           HA       HIS   4  -0.881   3.413  -4.639
   30    HB2  HIS   4           2HB      HIS   4  -2.628   3.628  -6.666
   31    HB3  HIS   4           1HB      HIS   4  -1.147   3.973  -7.550
   32    HD1  HIS   4           HD1      HIS   4  -2.152   1.448  -8.507
   33    HD2  HIS   4           HD2      HIS   4  -0.101   1.654  -4.911
   34    HE1  HIS   4           HE1      HIS   4  -1.329  -0.903  -8.031
   35    H    ILE   5           H        ILE   5  -0.410   6.324  -6.614
   36    HA   ILE   5           HA       ILE   5   2.357   5.855  -7.251
   37    HB   ILE   5           HB       ILE   5   2.260   8.271  -7.838
   38   HG12  ILE   5          2HG1      ILE   5  -0.267   9.129  -7.481
   39   HG13  ILE   5          1HG1      ILE   5  -0.128   8.089  -6.065
   40   HG21  ILE   5          1HG2      ILE   5   0.494   6.181  -8.769
   41   HG22  ILE   5          2HG2      ILE   5   1.282   7.457  -9.696
   42   HG23  ILE   5          3HG2      ILE   5  -0.286   7.754  -8.944
   43   HD11  ILE   5          3HD1      ILE   5   1.488  10.525  -6.780
   44   HD12  ILE   5          1HD1      ILE   5   2.150   9.304  -5.693
   45   HD13  ILE   5          2HD1      ILE   5   0.664  10.151  -5.266
   46    H    PHE   6           H        PHE   6   0.726   7.470  -4.540
   47    HA   PHE   6           HA       PHE   6   3.368   8.161  -3.344
   48    HB2  PHE   6           2HB      PHE   6   0.855   9.404  -3.560
   49    HB3  PHE   6           1HB      PHE   6   0.993   8.948  -1.866
   50    HD1  PHE   6           HD2      PHE   6   3.086   9.632  -0.572
   51    HD2  PHE   6           HD1      PHE   6   2.111  11.206  -4.450
   52    HE1  PHE   6           HE2      PHE   6   4.645  11.523  -0.198
   53    HE2  PHE   6           HE1      PHE   6   3.671  13.096  -4.074
   54    HZ   PHE   6           HZ       PHE   6   4.937  13.255  -1.948
   55    H    ARG   7           H        ARG   7   2.078   8.122  -0.622
   56    HA   ARG   7           HA       ARG   7   1.441   5.291  -0.132
   57    HB2  ARG   7           2HB      ARG   7   3.509   5.139   1.382
   58    HB3  ARG   7           1HB      ARG   7   3.808   5.130  -0.357
   59    HG2  ARG   7           2HG      ARG   7   3.764   7.752   1.090
   60    HG3  ARG   7           1HG      ARG   7   5.204   6.734   1.195
   61    HD2  ARG   7           2HD      ARG   7   4.702   6.601  -1.485
   62    HD3  ARG   7           1HD      ARG   7   4.142   8.242  -1.121
   63    HE   ARG   7           HE       ARG   7   6.905   7.247  -0.778
   64   HH11  ARG   7          1HH1      ARG   7   4.945   9.204   1.063
   65   HH12  ARG   7          2HH1      ARG   7   5.895  10.642   0.890
   66   HH21  ARG   7          1HH2      ARG   7   7.963   9.303  -1.548
   67   HH22  ARG   7          2HH2      ARG   7   7.603  10.699  -0.588
   68    HA   PRO   8           HA       PRO   8   0.158   8.180   3.211
   69    HB2  PRO   8           2HB      PRO   8  -2.424   8.767   2.479
   70    HB3  PRO   8           1HB      PRO   8  -1.024   9.731   1.964
   71    HG2  PRO   8           2HG      PRO   8  -2.478   7.581   0.485
   72    HG3  PRO   8           1HG      PRO   8  -1.912   9.158  -0.092
   73    HD2  PRO   8           2HD      PRO   8  -0.534   6.928  -0.623
   74    HD3  PRO   8           1HD      PRO   8   0.287   8.460  -0.261
   75    H    ILE   9           H        ILE   9  -2.363   6.149   1.645
   76    HA   ILE   9           HA       ILE   9  -3.308   5.162   4.238
   77    HB   ILE   9           HB       ILE   9  -4.663   5.630   2.127
   78   HG12  ILE   9          2HG1      ILE   9  -5.614   3.026   2.432
   79   HG13  ILE   9          1HG1      ILE   9  -4.805   3.360   3.963
   80   HG21  ILE   9          1HG2      ILE   9  -2.741   3.880   1.028
   81   HG22  ILE   9          2HG2      ILE   9  -4.155   4.551   0.217
   82   HG23  ILE   9          3HG2      ILE   9  -4.262   2.987   1.022
   83   HD11  ILE   9          3HD1      ILE   9  -7.364   4.144   3.359
   84   HD12  ILE   9          1HD1      ILE   9  -6.443   5.591   2.950
   85   HD13  ILE   9          2HD1      ILE   9  -6.345   4.914   4.575
   86    H    VAL  10           H        VAL  10  -0.584   4.537   4.014
   87    HA   VAL  10           HA       VAL  10   0.067   2.032   2.841
   88    HB   VAL  10           HB       VAL  10   1.672   3.675   3.732
   89   HG11  VAL  10          1HG1      VAL  10   0.069   4.098   5.769
   90   HG12  VAL  10          2HG1      VAL  10   1.810   4.252   5.996
   91   HG13  VAL  10          3HG1      VAL  10   0.980   2.788   6.521
   92   HG21  VAL  10          3HG2      VAL  10   1.949   1.187   5.419
   93   HG22  VAL  10          1HG2      VAL  10   3.214   2.118   4.618
   94   HG23  VAL  10          2HG2      VAL  10   2.118   1.119   3.664
   95    H    HIS  11           H        HIS  11  -1.917   2.764   5.578
   96    HA   HIS  11           HA       HIS  11  -1.611   0.537   7.258
   97    HB2  HIS  11           2HB      HIS  11  -3.072   2.477   7.673
   98    HB3  HIS  11           1HB      HIS  11  -4.133   1.969   6.360
   99    HD1  HIS  11           HD1      HIS  11  -4.397   2.025   9.749
  100    HD2  HIS  11           HD2      HIS  11  -4.543  -1.185   7.093
  101    HE1  HIS  11           HE1      HIS  11  -5.629   0.161  10.943
  102    H    VAL  12           H        VAL  12  -4.524   0.530   5.262
  103    HA   VAL  12           HA       VAL  12  -4.711  -2.258   5.101
  104    HB   VAL  12           HB       VAL  12  -5.987  -1.649   2.896
  105   HG11  VAL  12          1HG1      VAL  12  -6.869  -0.355   5.475
  106   HG12  VAL  12          2HG1      VAL  12  -6.857  -2.105   5.243
  107   HG13  VAL  12          3HG1      VAL  12  -7.881  -1.085   4.228
  108   HG21  VAL  12          3HG2      VAL  12  -4.654   0.771   3.358
  109   HG22  VAL  12          1HG2      VAL  12  -6.305   1.073   3.901
  110   HG23  VAL  12          2HG2      VAL  12  -6.007   0.524   2.252
  111    H    GLY  13           H        GLY  13  -2.548  -0.139   3.415
  112    HA2  GLY  13           2HA      GLY  13  -1.940  -1.503   1.053
  113    HA3  GLY  13           1HA      GLY  13  -0.695  -0.749   2.062
  114    H    LYS  14           H        LYS  14  -1.046  -2.266   4.385
  115    HA   LYS  14           HA       LYS  14   0.327  -4.762   3.659
  116    HB2  LYS  14           2HB      LYS  14  -0.033  -3.001   5.933
  117    HB3  LYS  14           1HB      LYS  14  -0.366  -4.667   6.407
  118    HG2  LYS  14           2HG      LYS  14   1.832  -5.127   6.409
  119    HG3  LYS  14           1HG      LYS  14   1.949  -4.643   4.717
  120    HD2  LYS  14           2HD      LYS  14   1.723  -2.231   6.117
  121    HD3  LYS  14           1HD      LYS  14   2.811  -3.212   7.100
  122    HE2  LYS  14           2HE      LYS  14   3.451  -3.495   4.276
  123    HE3  LYS  14           1HE      LYS  14   3.513  -1.795   4.782
  124    HZ1  LYS  14           3HZ      LYS  14   5.140  -2.194   6.279
  125    HZ2  LYS  14           1HZ      LYS  14   5.496  -3.495   5.250
  126    HZ3  LYS  14           2HZ      LYS  14   4.577  -3.751   6.656
  127    H    THR  15           H        THR  15  -2.855  -3.684   4.753
  128    HA   THR  15           HA       THR  15  -4.006  -6.127   5.555
  129    HB   THR  15           HB       THR  15  -5.099  -3.734   4.075
  130    HG1  THR  15           HG1      THR  15  -6.170  -3.836   6.343
  131   HG21  THR  15          3HG2      THR  15  -7.161  -5.202   5.370
  132   HG22  THR  15          1HG2      THR  15  -6.262  -6.337   4.359
  133   HG23  THR  15          2HG2      THR  15  -6.976  -4.889   3.643
  134    H    ILE  16           H        ILE  16  -4.927  -4.792   2.404
  135    HA   ILE  16           HA       ILE  16  -5.669  -7.091   1.083
  136    HB   ILE  16           HB       ILE  16  -5.861  -5.001  -0.011
  137   HG12  ILE  16          2HG1      ILE  16  -4.703  -5.320  -2.158
  138   HG13  ILE  16          1HG1      ILE  16  -3.607  -6.473  -1.396
  139   HG21  ILE  16          1HG2      ILE  16  -4.358  -3.362   0.301
  140   HG22  ILE  16          2HG2      ILE  16  -3.149  -4.281  -0.594
  141   HG23  ILE  16          3HG2      ILE  16  -3.317  -4.506   1.145
  142   HD11  ILE  16          3HD1      ILE  16  -6.613  -6.825  -1.435
  143   HD12  ILE  16          1HD1      ILE  16  -5.401  -8.014  -0.959
  144   HD13  ILE  16          2HD1      ILE  16  -5.542  -7.525  -2.648
  145    H    HIS  17           H        HIS  17  -2.369  -5.987   1.710
  146    HA   HIS  17           HA       HIS  17  -1.029  -7.907   0.077
  147    HB2  HIS  17           2HB      HIS  17   0.212  -6.055   0.865
  148    HB3  HIS  17           1HB      HIS  17  -0.365  -6.265   2.515
  149    HD1  HIS  17           HD1      HIS  17   2.672  -6.499   0.952
  150    HD2  HIS  17           HD2      HIS  17   0.513  -9.321   3.135
  151    HE1  HIS  17           HE1      HIS  17   4.353  -8.212   1.761
  152    H    ARG  18           H        ARG  18  -2.104  -7.982   3.480
  153    HA   ARG  18           HA       ARG  18  -0.965 -10.561   4.071
  154    HB2  ARG  18           2HB      ARG  18  -2.092 -10.259   6.100
  155    HB3  ARG  18           1HB      ARG  18  -1.995  -8.605   5.502
  156    HG2  ARG  18           2HG      ARG  18  -4.235  -8.692   6.016
  157    HG3  ARG  18           1HG      ARG  18  -4.278  -9.239   4.343
  158    HD2  ARG  18           2HD      ARG  18  -5.468 -10.990   5.256
  159    HD3  ARG  18           1HD      ARG  18  -3.845 -11.612   5.614
  160    HE   ARG  18           HE       ARG  18  -4.965  -9.754   7.613
  161   HH11  ARG  18          1HH2      ARG  18  -2.789 -11.822   8.081
  162   HH12  ARG  18          2HH2      ARG  18  -3.646 -13.017   8.995
  163   HH21  ARG  18          1HH1      ARG  18  -6.780 -11.800   8.150
  164   HH22  ARG  18          2HH1      ARG  18  -5.905 -13.005   9.034
  165    H    LEU  19           H        LEU  19  -3.944  -9.535   2.545
  166    HA   LEU  19           HA       LEU  19  -5.414 -11.973   2.695
  167    HB2  LEU  19           2HB      LEU  19  -5.307  -9.552   0.947
  168    HB3  LEU  19           1HB      LEU  19  -6.257 -10.928   0.385
  169    HG   LEU  19           HG       LEU  19  -6.568  -9.803   3.171
  170   HD11  LEU  19          1HD1      LEU  19  -8.692  -9.127   1.296
  171   HD12  LEU  19          2HD1      LEU  19  -7.150  -8.422   0.810
  172   HD13  LEU  19          3HD1      LEU  19  -7.812  -8.080   2.409
  173   HD21  LEU  19          3HD2      LEU  19  -8.048 -11.491   3.373
  174   HD22  LEU  19          1HD2      LEU  19  -7.582 -12.060   1.770
  175   HD23  LEU  19          2HD2      LEU  19  -8.920 -10.925   1.949
  176    H    VAL  20           H        VAL  20  -3.552 -10.748  -0.061
  177    HA   VAL  20           HA       VAL  20  -3.516 -13.007  -1.703
  178    HB   VAL  20           HB       VAL  20  -1.704 -11.970  -2.766
  179   HG11  VAL  20          1HG1      VAL  20  -2.142  -9.651  -0.947
  180   HG12  VAL  20          2HG1      VAL  20  -3.521 -10.259  -1.866
  181   HG13  VAL  20          3HG1      VAL  20  -2.076  -9.694  -2.712
  182   HG21  VAL  20          3HG2      VAL  20   0.069 -12.402  -1.260
  183   HG22  VAL  20          1HG2      VAL  20  -0.687 -11.469   0.030
  184   HG23  VAL  20          2HG2      VAL  20   0.021 -10.642  -1.357
  185    H    THR  21           H        THR  21  -1.742 -12.376   1.248
  186    HA   THR  21           HA       THR  21  -0.083 -14.752   1.050
  187    HB   THR  21           HB       THR  21  -0.658 -12.732   3.233
  188    HG1  THR  21           HG1      THR  21   1.665 -12.305   2.494
  189   HG21  THR  21          3HG2      THR  21   1.411 -13.585   4.287
  190   HG22  THR  21          1HG2      THR  21   1.501 -14.852   3.062
  191   HG23  THR  21          2HG2      THR  21   0.161 -14.828   4.208
  192    H    GLY  22           HN       GLY  22  -2.463 -13.716   3.500
  193    HA2  GLY  22           2HA      GLY  22  -2.843 -16.456   4.429
  194    HA3  GLY  22           1HA      GLY  22  -3.738 -15.042   4.988
  Start of MODEL   19
    1    H1   PHE   1           1HT      PHE   1   3.367  14.269  16.268
    2    H2   PHE   1           2HT      PHE   1   1.706  13.913  16.276
    3    H3   PHE   1           3HT      PHE   1   2.313  15.125  15.251
    4    HA   PHE   1           HA       PHE   1   3.759  13.154  14.317
    5    HB2  PHE   1           2HB      PHE   1   1.276  11.899  15.537
    6    HB3  PHE   1           1HB      PHE   1   2.444  11.060  14.514
    7    HD1  PHE   1           HD2      PHE   1   5.015  11.543  15.324
    8    HD2  PHE   1           HD1      PHE   1   1.518  11.555  17.819
    9    HE1  PHE   1           HE2      PHE   1   6.430  11.091  17.309
   10    HE2  PHE   1           HE1      PHE   1   2.933  11.103  19.805
   11    HZ   PHE   1           HZ       PHE   1   5.389  10.870  19.551
   12    H    PHE   2           H        PHE   2   3.306  14.454  12.472
   13    HA   PHE   2           HA       PHE   2   0.647  15.015  11.505
   14    HB2  PHE   2           2HB      PHE   2   3.453  15.072  10.391
   15    HB3  PHE   2           1HB      PHE   2   2.070  15.477   9.373
   16    HD1  PHE   2           HD2      PHE   2   0.364  17.202  10.397
   17    HD2  PHE   2           HD1      PHE   2   4.432  16.745  11.701
   18    HE1  PHE   2           HE2      PHE   2   0.305  19.479  11.380
   19    HE2  PHE   2           HE1      PHE   2   4.371  19.022  12.685
   20    HZ   PHE   2           HZ       PHE   2   2.309  20.388  12.525
   21    H    HIS   3           H        HIS   3   2.928  12.368  10.976
   22    HA   HIS   3           HA       HIS   3   2.032  11.140   8.663
   23    HB2  HIS   3           2HB      HIS   3   2.632   9.874  11.358
   24    HB3  HIS   3           1HB      HIS   3   2.679   9.032   9.809
   25    HD1  HIS   3           HD1      HIS   3   5.239   9.333  11.560
   26    HD2  HIS   3           HD2      HIS   3   4.205  11.919   8.457
   27    HE1  HIS   3           HE1      HIS   3   7.387  10.440  10.805
   28    H    HIS   4           H        HIS   4   0.252  11.517  11.660
   29    HA   HIS   4           HA       HIS   4  -1.805   9.539  10.878
   30    HB2  HIS   4           2HB      HIS   4  -1.202  11.315  13.233
   31    HB3  HIS   4           1HB      HIS   4  -2.780  10.542  13.093
   32    HD1  HIS   4           HD1      HIS   4  -0.387   8.380  11.526
   33    HD2  HIS   4           HD2      HIS   4  -1.512   9.102  15.474
   34    HE1  HIS   4           HE1      HIS   4   0.410   6.389  12.874
   35    H    ILE   5           H        ILE   5  -1.193  12.873  10.350
   36    HA   ILE   5           HA       ILE   5  -3.981  13.752  10.310
   37    HB   ILE   5           HB       ILE   5  -2.998  15.828   9.567
   38   HG12  ILE   5          2HG1      ILE   5  -0.251  15.249   9.280
   39   HG13  ILE   5          1HG1      ILE   5  -1.099  14.039   8.322
   40   HG21  ILE   5          1HG2      ILE   5  -1.123  14.368  11.449
   41   HG22  ILE   5          2HG2      ILE   5  -2.565  15.271  11.909
   42   HG23  ILE   5          3HG2      ILE   5  -1.172  16.117  11.232
   43   HD11  ILE   5          3HD1      ILE   5  -2.357  15.805   7.168
   44   HD12  ILE   5          1HD1      ILE   5  -0.623  16.077   6.996
   45   HD13  ILE   5          2HD1      ILE   5  -1.555  17.031   8.149
   46    H    PHE   6           H        PHE   6  -1.748  12.305   8.039
   47    HA   PHE   6           HA       PHE   6  -3.540  12.941   5.743
   48    HB2  PHE   6           2HB      PHE   6  -0.755  12.703   6.168
   49    HB3  PHE   6           1HB      PHE   6  -1.206  11.338   5.144
   50    HD1  PHE   6           HD1      PHE   6  -1.369  15.039   5.466
   51    HD2  PHE   6           HD2      PHE   6  -1.872  11.653   2.872
   52    HE1  PHE   6           HE1      PHE   6  -1.554  16.560   3.516
   53    HE2  PHE   6           HE2      PHE   6  -2.059  13.174   0.922
   54    HZ   PHE   6           HZ       PHE   6  -1.901  15.628   1.245
   55    H    ARG   7           H        ARG   7  -3.662  10.944   4.144
   56    HA   ARG   7           HA       ARG   7  -5.208   8.885   5.387
   57    HB2  ARG   7           2HB      ARG   7  -5.029   7.866   3.110
   58    HB3  ARG   7           1HB      ARG   7  -5.427   9.584   3.049
   59    HG2  ARG   7           2HG      ARG   7  -3.669   9.765   1.630
   60    HG3  ARG   7           1HG      ARG   7  -2.665   9.613   3.073
   61    HD2  ARG   7           2HD      ARG   7  -1.830   7.679   2.245
   62    HD3  ARG   7           1HD      ARG   7  -3.458   6.976   2.304
   63    HE   ARG   7           HE       ARG   7  -3.822   7.723   0.017
   64   HH11  ARG   7          1HH1      ARG   7  -1.142   9.415   1.152
   65   HH12  ARG   7          2HH1      ARG   7  -0.217   9.271  -0.305
   66   HH21  ARG   7          1HH2      ARG   7  -2.442   7.081  -1.813
   67   HH22  ARG   7          2HH2      ARG   7  -0.953   7.949  -1.983
   68    HA   PRO   8           HA       PRO   8  -1.816   6.065   5.988
   69    HB2  PRO   8           2HB      PRO   8  -3.248   3.860   6.744
   70    HB3  PRO   8           1HB      PRO   8  -3.130   5.323   7.742
   71    HG2  PRO   8           2HG      PRO   8  -5.326   4.436   5.939
   72    HG3  PRO   8           1HG      PRO   8  -5.414   5.206   7.532
   73    HD2  PRO   8           2HD      PRO   8  -5.806   6.557   5.214
   74    HD3  PRO   8           1HD      PRO   8  -5.141   7.312   6.678
   75    H    ILE   9           H        ILE   9  -1.100   5.855   3.701
   76    HA   ILE   9           HA       ILE   9  -2.239   3.889   1.911
   77    HB   ILE   9           HB       ILE   9  -0.928   5.772   1.118
   78   HG12  ILE   9          2HG1      ILE   9   1.056   4.390   0.033
   79   HG13  ILE   9          1HG1      ILE   9   0.200   3.017   0.738
   80   HG21  ILE   9          1HG2      ILE   9   1.697   4.902   2.013
   81   HG22  ILE   9          2HG2      ILE   9   0.637   5.236   3.383
   82   HG23  ILE   9          3HG2      ILE   9   0.934   6.484   2.173
   83   HD11  ILE   9          3HD1      ILE   9  -0.658   3.314  -1.493
   84   HD12  ILE   9          1HD1      ILE   9  -0.891   5.042  -1.233
   85   HD13  ILE   9          2HD1      ILE   9  -1.903   3.878  -0.379
   86    H    VAL  10           H        VAL  10   0.091   3.763   4.518
   87    HA   VAL  10           HA       VAL  10   1.226   1.173   3.760
   88    HB   VAL  10           HB       VAL  10   1.439   3.216   5.925
   89   HG11  VAL  10          1HG1      VAL  10   1.105   1.173   7.249
   90   HG12  VAL  10          2HG1      VAL  10   2.790   1.692   7.343
   91   HG13  VAL  10          3HG1      VAL  10   2.339   0.342   6.301
   92   HG21  VAL  10          3HG2      VAL  10   3.458   1.548   4.391
   93   HG22  VAL  10          1HG2      VAL  10   3.840   2.899   5.459
   94   HG23  VAL  10          2HG2      VAL  10   2.943   3.181   3.966
   95    H    HIS  11           H        HIS  11  -1.228   2.358   6.043
   96    HA   HIS  11           HA       HIS  11  -1.734   0.084   7.578
   97    HB2  HIS  11           2HB      HIS  11  -2.786   2.290   7.843
   98    HB3  HIS  11           1HB      HIS  11  -3.674   2.060   6.337
   99    HD1  HIS  11           HD1      HIS  11  -5.268   2.482   8.913
  100    HD2  HIS  11           HD2      HIS  11  -4.180  -1.289   7.510
  101    HE1  HIS  11           HE1      HIS  11  -6.893   0.838   9.944
  102    H    VAL  12           H        VAL  12  -4.470   0.543   5.500
  103    HA   VAL  12           HA       VAL  12  -4.869  -2.170   4.991
  104    HB   VAL  12           HB       VAL  12  -6.052  -1.216   2.867
  105   HG11  VAL  12          1HG1      VAL  12  -6.897  -0.073   5.524
  106   HG12  VAL  12          2HG1      VAL  12  -6.961  -1.807   5.199
  107   HG13  VAL  12          3HG1      VAL  12  -7.915  -0.688   4.221
  108   HG21  VAL  12          3HG2      VAL  12  -5.843   0.999   2.443
  109   HG22  VAL  12          1HG2      VAL  12  -4.522   1.021   3.613
  110   HG23  VAL  12          2HG2      VAL  12  -6.164   1.406   4.129
  111    H    GLY  13           H        GLY  13  -2.532  -0.039   3.541
  112    HA2  GLY  13           2HA      GLY  13  -1.994  -1.236   1.070
  113    HA3  GLY  13           1HA      GLY  13  -0.712  -0.645   2.141
  114    H    LYS  14           H        LYS  14  -1.239  -2.328   4.338
  115    HA   LYS  14           HA       LYS  14   0.017  -4.827   3.432
  116    HB2  LYS  14           2HB      LYS  14  -0.064  -3.227   5.747
  117    HB3  LYS  14           1HB      LYS  14  -0.892  -4.719   6.196
  118    HG2  LYS  14           2HG      LYS  14   1.176  -5.583   6.511
  119    HG3  LYS  14           1HG      LYS  14   1.281  -5.638   4.751
  120    HD2  LYS  14           2HD      LYS  14   3.033  -4.230   4.907
  121    HD3  LYS  14           1HD      LYS  14   1.886  -2.986   5.407
  122    HE2  LYS  14           2HE      LYS  14   2.639  -3.027   7.550
  123    HE3  LYS  14           1HE      LYS  14   2.604  -4.800   7.601
  124    HZ1  LYS  14           3HZ      LYS  14   4.577  -4.506   5.919
  125    HZ2  LYS  14           1HZ      LYS  14   4.849  -4.455   7.592
  126    HZ3  LYS  14           2HZ      LYS  14   4.747  -3.009   6.706
  127    H    THR  15           H        THR  15  -3.149  -3.681   4.556
  128    HA   THR  15           HA       THR  15  -4.472  -6.061   5.165
  129    HB   THR  15           HB       THR  15  -5.331  -3.556   3.724
  130    HG1  THR  15           HG1      THR  15  -5.788  -4.691   6.282
  131   HG21  THR  15          3HG2      THR  15  -6.705  -5.531   2.976
  132   HG22  THR  15          1HG2      THR  15  -7.627  -4.301   3.841
  133   HG23  THR  15          2HG2      THR  15  -7.147  -5.787   4.663
  134    H    ILE  16           H        ILE  16  -4.980  -4.615   1.947
  135    HA   ILE  16           HA       ILE  16  -5.781  -6.894   0.568
  136    HB   ILE  16           HB       ILE  16  -5.766  -4.717  -0.471
  137   HG12  ILE  16          2HG1      ILE  16  -4.712  -5.206  -2.608
  138   HG13  ILE  16          1HG1      ILE  16  -3.651  -6.392  -1.846
  139   HG21  ILE  16          1HG2      ILE  16  -2.773  -4.684  -0.628
  140   HG22  ILE  16          2HG2      ILE  16  -3.559  -4.133   0.850
  141   HG23  ILE  16          3HG2      ILE  16  -3.904  -3.333  -0.682
  142   HD11  ILE  16          3HD1      ILE  16  -5.355  -7.941  -1.554
  143   HD12  ILE  16          1HD1      ILE  16  -5.856  -7.183  -3.066
  144   HD13  ILE  16          2HD1      ILE  16  -6.616  -6.707  -1.547
  145    H    HIS  17           H        HIS  17  -2.444  -5.761   1.099
  146    HA   HIS  17           HA       HIS  17  -1.095  -7.830  -0.278
  147    HB2  HIS  17           2HB      HIS  17   0.028  -5.841   0.501
  148    HB3  HIS  17           1HB      HIS  17  -0.433  -6.171   2.169
  149    HD1  HIS  17           HD1      HIS  17   2.482  -6.257   0.315
  150    HD2  HIS  17           HD2      HIS  17   0.604  -9.166   2.639
  151    HE1  HIS  17           HE1      HIS  17   4.265  -7.950   0.923
  152    H    ARG  18           H        ARG  18  -2.610  -7.737   2.895
  153    HA   ARG  18           HA       ARG  18  -1.395 -10.226   3.818
  154    HB2  ARG  18           2HB      ARG  18  -2.143  -8.455   5.333
  155    HB3  ARG  18           1HB      ARG  18  -3.793  -8.605   4.722
  156    HG2  ARG  18           2HG      ARG  18  -2.408 -11.034   5.793
  157    HG3  ARG  18           1HG      ARG  18  -3.094  -9.867   6.926
  158    HD2  ARG  18           2HD      ARG  18  -5.216 -10.043   5.346
  159    HD3  ARG  18           1HD      ARG  18  -4.503 -11.615   4.931
  160    HE   ARG  18           HE       ARG  18  -5.823 -11.083   7.384
  161   HH11  ARG  18          1HH2      ARG  18  -3.107 -10.872   8.516
  162   HH12  ARG  18          2HH2      ARG  18  -2.701 -12.519   8.863
  163   HH21  ARG  18          1HH1      ARG  18  -5.186 -13.836   6.833
  164   HH22  ARG  18          2HH1      ARG  18  -3.880 -14.198   7.910
  165    H    LEU  19           H        LEU  19  -4.388  -9.329   2.159
  166    HA   LEU  19           HA       LEU  19  -5.786 -11.798   2.525
  167    HB2  LEU  19           2HB      LEU  19  -5.823  -9.484   0.622
  168    HB3  LEU  19           1HB      LEU  19  -6.828 -10.889   0.275
  169    HG   LEU  19           HG       LEU  19  -7.892  -8.993   1.649
  170   HD11  LEU  19          1HD1      LEU  19  -9.199 -10.892   1.673
  171   HD12  LEU  19          2HD1      LEU  19  -8.726 -10.868   3.372
  172   HD13  LEU  19          3HD1      LEU  19  -7.879 -11.918   2.235
  173   HD21  LEU  19          3HD2      LEU  19  -5.868  -8.743   3.135
  174   HD22  LEU  19          1HD2      LEU  19  -6.276 -10.303   3.849
  175   HD23  LEU  19          2HD2      LEU  19  -7.385  -8.942   4.014
  176    H    VAL  20           H        VAL  20  -3.430 -10.724   0.142
  177    HA   VAL  20           HA       VAL  20  -3.684 -13.016  -1.617
  178    HB   VAL  20           HB       VAL  20  -1.873 -12.020  -2.747
  179   HG11  VAL  20          1HG1      VAL  20  -2.394  -9.776  -2.871
  180   HG12  VAL  20          2HG1      VAL  20  -2.486  -9.604  -1.116
  181   HG13  VAL  20          3HG1      VAL  20  -3.809 -10.368  -1.998
  182   HG21  VAL  20          3HG2      VAL  20  -0.078 -12.191  -1.246
  183   HG22  VAL  20          1HG2      VAL  20  -0.938 -11.320   0.022
  184   HG23  VAL  20          2HG2      VAL  20  -0.295 -10.444  -1.367
  185    H    THR  21           H        THR  21  -1.877 -12.264   1.283
  186    HA   THR  21           HA       THR  21  -0.227 -14.664   1.066
  187    HB   THR  21           HB       THR  21  -0.529 -12.389   3.026
  188    HG1  THR  21           HG1      THR  21   0.654 -11.739   1.355
  189   HG21  THR  21          3HG2      THR  21   1.488 -13.324   4.164
  190   HG22  THR  21          1HG2      THR  21   1.317 -14.784   3.188
  191   HG23  THR  21          2HG2      THR  21   0.060 -14.345   4.344
  192    H    GLY  22           HN       GLY  22  -2.762 -13.407   3.224
  193    HA2  GLY  22           2HA      GLY  22  -4.388 -14.599   4.455
  194    HA3  GLY  22           1HA      GLY  22  -3.796 -16.085   3.712
  Start of MODEL   20
    1    H1   PHE   1           1HT      PHE   1  15.388  -2.899  12.659
    2    H2   PHE   1           2HT      PHE   1  16.101  -3.805  11.411
    3    H3   PHE   1           3HT      PHE   1  14.570  -3.103  11.187
    4    HA   PHE   1           HA       PHE   1  15.702  -0.868  11.540
    5    HB2  PHE   1           2HB      PHE   1  17.922  -2.888  11.489
    6    HB3  PHE   1           1HB      PHE   1  18.227  -1.274  10.844
    7    HD1  PHE   1           HD1      PHE   1  17.383  -3.221  13.861
    8    HD2  PHE   1           HD2      PHE   1  18.208   0.690  12.287
    9    HE1  PHE   1           HE1      PHE   1  17.652  -2.349  16.167
   10    HE2  PHE   1           HE2      PHE   1  18.476   1.562  14.593
   11    HZ   PHE   1           HZ       PHE   1  18.198   0.043  16.533
   12    H    PHE   2           H        PHE   2  15.894  -3.676   9.447
   13    HA   PHE   2           HA       PHE   2  16.485  -2.163   7.013
   14    HB2  PHE   2           2HB      PHE   2  15.954  -4.953   7.879
   15    HB3  PHE   2           1HB      PHE   2  15.541  -4.581   6.205
   16    HD1  PHE   2           HD1      PHE   2  17.377  -3.135   4.914
   17    HD2  PHE   2           HD2      PHE   2  18.143  -5.594   8.352
   18    HE1  PHE   2           HE1      PHE   2  19.774  -3.255   4.294
   19    HE2  PHE   2           HE2      PHE   2  20.541  -5.714   7.732
   20    HZ   PHE   2           HZ       PHE   2  21.357  -4.544   5.703
   21    H    HIS   3           H        HIS   3  14.325  -0.867   8.128
   22    HA   HIS   3           HA       HIS   3  11.889  -1.930   6.780
   23    HB2  HIS   3           2HB      HIS   3  12.541  -0.423   9.177
   24    HB3  HIS   3           1HB      HIS   3  11.310   0.408   8.227
   25    HD1  HIS   3           HD1      HIS   3   8.973  -0.490   8.385
   26    HD2  HIS   3           HD2      HIS   3  11.790  -3.247   9.744
   27    HE1  HIS   3           HE1      HIS   3   7.666  -2.443   9.332
   28    H    HIS   4           H        HIS   4  13.927   0.983   6.951
   29    HA   HIS   4           HA       HIS   4  12.523   2.706   5.229
   30    HB2  HIS   4           2HB      HIS   4  15.441   2.170   5.783
   31    HB3  HIS   4           1HB      HIS   4  14.959   3.437   4.659
   32    HD1  HIS   4           HD1      HIS   4  12.264   3.843   6.648
   33    HD2  HIS   4           HD2      HIS   4  16.307   4.379   7.510
   34    HE1  HIS   4           HE1      HIS   4  12.372   5.416   8.628
   35    H    ILE   5           H        ILE   5  15.475   1.281   3.944
   36    HA   ILE   5           HA       ILE   5  14.943   1.305   1.262
   37    HB   ILE   5           HB       ILE   5  16.530  -0.549   1.139
   38   HG12  ILE   5          2HG1      ILE   5  15.337  -1.953   2.878
   39   HG13  ILE   5          1HG1      ILE   5  17.081  -1.911   3.031
   40   HG21  ILE   5          1HG2      ILE   5  18.119   0.874   1.844
   41   HG22  ILE   5          2HG2      ILE   5  17.723   0.518   3.526
   42   HG23  ILE   5          3HG2      ILE   5  16.877   1.811   2.675
   43   HD11  ILE   5          3HD1      ILE   5  16.363  -1.587   5.236
   44   HD12  ILE   5          1HD1      ILE   5  15.036  -0.537   4.745
   45   HD13  ILE   5          2HD1      ILE   5  16.696   0.051   4.677
   46    H    PHE   6           H        PHE   6  13.684  -1.052   3.592
   47    HA   PHE   6           HA       PHE   6  12.541  -2.846   1.638
   48    HB2  PHE   6           2HB      PHE   6  12.891  -2.600   4.453
   49    HB3  PHE   6           1HB      PHE   6  11.175  -2.880   4.160
   50    HD1  PHE   6           HD1      PHE   6  14.545  -4.114   3.077
   51    HD2  PHE   6           HD2      PHE   6  10.412  -5.056   3.797
   52    HE1  PHE   6           HE1      PHE   6  15.011  -6.510   2.629
   53    HE2  PHE   6           HE2      PHE   6  10.881  -7.452   3.349
   54    HZ   PHE   6           HZ       PHE   6  13.180  -8.178   2.765
   55    H    ARG   7           H        ARG   7   9.941  -3.217   2.380
   56    HA   ARG   7           HA       ARG   7   8.474  -1.309   0.874
   57    HB2  ARG   7           2HB      ARG   7   6.531  -2.467   2.045
   58    HB3  ARG   7           1HB      ARG   7   7.679  -3.551   1.261
   59    HG2  ARG   7           2HG      ARG   7   8.093  -4.558   3.228
   60    HG3  ARG   7           1HG      ARG   7   8.598  -3.018   3.924
   61    HD2  ARG   7           2HD      ARG   7   6.533  -2.619   4.889
   62    HD3  ARG   7           1HD      ARG   7   5.657  -3.499   3.619
   63    HE   ARG   7           HE       ARG   7   6.203  -5.571   4.718
   64   HH11  ARG   7          1HH2      ARG   7   8.958  -4.305   5.578
   65   HH12  ARG   7          2HH2      ARG   7   8.811  -4.457   7.297
   66   HH21  ARG   7          1HH1      ARG   7   5.409  -5.122   7.215
   67   HH22  ARG   7          2HH1      ARG   7   6.804  -4.920   8.224
   68    HA   PRO   8           HA       PRO   8   7.468   1.328   4.345
   69    HB2  PRO   8           2HB      PRO   8   5.263   2.609   3.366
   70    HB3  PRO   8           1HB      PRO   8   6.876   2.785   2.651
   71    HG2  PRO   8           2HG      PRO   8   4.571   1.154   1.742
   72    HG3  PRO   8           1HG      PRO   8   5.781   2.031   0.795
   73    HD2  PRO   8           2HD      PRO   8   5.803  -0.684   1.206
   74    HD3  PRO   8           1HD      PRO   8   7.238   0.285   0.809
   75    H    ILE   9           H        ILE   9   5.914   1.962   6.046
   76    HA   ILE   9           HA       ILE   9   4.276  -0.291   6.949
   77    HB   ILE   9           HB       ILE   9   4.522   2.499   8.107
   78   HG12  ILE   9          2HG1      ILE   9   6.355   0.943   9.447
   79   HG13  ILE   9          1HG1      ILE   9   6.538   0.372   7.788
   80   HG21  ILE   9          1HG2      ILE   9   3.081   1.490   9.557
   81   HG22  ILE   9          2HG2      ILE   9   4.534   0.701  10.169
   82   HG23  ILE   9          3HG2      ILE   9   3.506  -0.129   9.001
   83   HD11  ILE   9          3HD1      ILE   9   6.317   3.292   7.988
   84   HD12  ILE   9          1HD1      ILE   9   7.491   2.312   7.109
   85   HD13  ILE   9          2HD1      ILE   9   7.726   2.641   8.826
   86    H    VAL  10           H        VAL  10   3.039   0.325   4.663
   87    HA   VAL  10           HA       VAL  10   1.087   2.464   4.819
   88    HB   VAL  10           HB       VAL  10   1.984   1.422   2.740
   89   HG11  VAL  10          1HG1      VAL  10   0.289  -0.949   3.580
   90   HG12  VAL  10          2HG1      VAL  10   2.050  -0.902   3.654
   91   HG13  VAL  10          3HG1      VAL  10   1.231  -0.811   2.096
   92   HG21  VAL  10          3HG2      VAL  10  -0.081   2.579   2.457
   93   HG22  VAL  10          1HG2      VAL  10  -0.991   1.310   3.279
   94   HG23  VAL  10          2HG2      VAL  10  -0.323   1.018   1.672
   95    H    HIS  11           H        HIS  11  -1.117   2.312   5.407
   96    HA   HIS  11           HA       HIS  11  -1.831   0.374   7.401
   97    HB2  HIS  11           2HB      HIS  11  -2.671   2.744   7.106
   98    HB3  HIS  11           1HB      HIS  11  -3.639   2.163   5.752
   99    HD1  HIS  11           HD1      HIS  11  -4.551   3.196   8.765
  100    HD2  HIS  11           HD2      HIS  11  -4.674  -0.672   7.215
  101    HE1  HIS  11           HE1      HIS  11  -6.275   1.934  10.124
  102    H    VAL  12           H        VAL  12  -4.517   0.581   5.342
  103    HA   VAL  12           HA       VAL  12  -4.864  -2.154   5.029
  104    HB   VAL  12           HB       VAL  12  -6.080  -1.380   2.839
  105   HG11  VAL  12          1HG1      VAL  12  -6.918  -0.135   5.456
  106   HG12  VAL  12          2HG1      VAL  12  -6.994  -1.875   5.168
  107   HG13  VAL  12          3HG1      VAL  12  -7.951  -0.771   4.175
  108   HG21  VAL  12          3HG2      VAL  12  -4.605   0.846   3.103
  109   HG22  VAL  12          1HG2      VAL  12  -5.966   1.318   4.121
  110   HG23  VAL  12          2HG2      VAL  12  -6.235   0.893   2.431
  111    H    GLY  13           H        GLY  13  -2.610  -0.096   3.340
  112    HA2  GLY  13           2HA      GLY  13  -2.096  -1.517   0.982
  113    HA3  GLY  13           1HA      GLY  13  -0.811  -0.778   1.950
  114    H    LYS  14           H        LYS  14  -1.268  -2.256   4.328
  115    HA   LYS  14           HA       LYS  14   0.085  -4.782   3.662
  116    HB2  LYS  14           2HB      LYS  14  -0.722  -3.225   6.108
  117    HB3  LYS  14           1HB      LYS  14  -0.287  -4.926   6.287
  118    HG2  LYS  14           2HG      LYS  14   1.831  -4.361   4.949
  119    HG3  LYS  14           1HG      LYS  14   1.423  -2.668   5.234
  120    HD2  LYS  14           2HD      LYS  14   1.157  -3.630   7.750
  121    HD3  LYS  14           1HD      LYS  14   2.398  -4.727   7.140
  122    HE2  LYS  14           2HE      LYS  14   2.518  -1.689   7.172
  123    HE3  LYS  14           1HE      LYS  14   3.549  -2.813   8.081
  124    HZ1  LYS  14           3HZ      LYS  14   3.386  -2.480   5.137
  125    HZ2  LYS  14           1HZ      LYS  14   4.135  -3.813   5.871
  126    HZ3  LYS  14           2HZ      LYS  14   4.743  -2.248   6.133
  127    H    THR  15           H        THR  15  -3.110  -3.643   4.678
  128    HA   THR  15           HA       THR  15  -4.362  -6.038   5.444
  129    HB   THR  15           HB       THR  15  -5.311  -3.593   3.957
  130    HG1  THR  15           HG1      THR  15  -6.454  -3.573   6.131
  131   HG21  THR  15          3HG2      THR  15  -6.620  -6.148   4.193
  132   HG22  THR  15          1HG2      THR  15  -7.194  -4.682   3.398
  133   HG23  THR  15          2HG2      THR  15  -7.509  -4.933   5.116
  134    H    ILE  16           H        ILE  16  -5.092  -4.670   2.247
  135    HA   ILE  16           HA       ILE  16  -5.904  -6.984   0.954
  136    HB   ILE  16           HB       ILE  16  -5.354  -5.790  -1.086
  137   HG12  ILE  16          2HG1      ILE  16  -3.892  -3.544  -0.169
  138   HG13  ILE  16          1HG1      ILE  16  -3.080  -4.969   0.473
  139   HG21  ILE  16          1HG2      ILE  16  -6.963  -4.783   0.770
  140   HG22  ILE  16          2HG2      ILE  16  -6.585  -3.867  -0.689
  141   HG23  ILE  16          3HG2      ILE  16  -5.740  -3.513   0.817
  142   HD11  ILE  16          3HD1      ILE  16  -3.801  -4.481  -2.429
  143   HD12  ILE  16          1HD1      ILE  16  -3.078  -5.965  -1.808
  144   HD13  ILE  16          2HD1      ILE  16  -2.178  -4.450  -1.739
  145    H    HIS  17           H        HIS  17  -2.649  -6.064   1.864
  146    HA   HIS  17           HA       HIS  17  -1.312  -8.055   0.187
  147    HB2  HIS  17           2HB      HIS  17  -0.166  -6.022   0.811
  148    HB3  HIS  17           1HB      HIS  17  -0.515  -6.289   2.518
  149    HD1  HIS  17           HD1      HIS  17   2.291  -6.375   0.544
  150    HD2  HIS  17           HD2      HIS  17   0.580  -9.292   2.985
  151    HE1  HIS  17           HE1      HIS  17   4.132  -8.028   1.084
  152    H    ARG  18           H        ARG  18  -2.493  -7.801   3.514
  153    HA   ARG  18           HA       ARG  18  -1.231 -10.215   4.470
  154    HB2  ARG  18           2HB      ARG  18  -2.077  -8.405   5.909
  155    HB3  ARG  18           1HB      ARG  18  -3.722  -8.722   5.350
  156    HG2  ARG  18           2HG      ARG  18  -2.135 -10.990   6.477
  157    HG3  ARG  18           1HG      ARG  18  -2.834  -9.815   7.594
  158    HD2  ARG  18           2HD      ARG  18  -4.955 -10.584   7.240
  159    HD3  ARG  18           1HD      ARG  18  -4.705 -10.712   5.487
  160    HE   ARG  18           HE       ARG  18  -3.121 -12.732   6.425
  161   HH11  ARG  18          1HH1      ARG  18  -6.440 -11.889   6.524
  162   HH12  ARG  18          2HH1      ARG  18  -6.960 -13.425   7.133
  163   HH21  ARG  18          1HH2      ARG  18  -3.743 -14.679   7.466
  164   HH22  ARG  18          2HH2      ARG  18  -5.432 -15.004   7.667
  165    H    LEU  19           H        LEU  19  -3.962  -9.627   2.425
  166    HA   LEU  19           HA       LEU  19  -5.197 -12.245   3.050
  167    HB2  LEU  19           2HB      LEU  19  -5.825  -9.946   1.191
  168    HB3  LEU  19           1HB      LEU  19  -6.799 -11.415   1.249
  169    HG   LEU  19           HG       LEU  19  -6.469 -10.665   3.929
  170   HD11  LEU  19          1HD1      LEU  19  -5.967  -8.450   3.793
  171   HD12  LEU  19          2HD1      LEU  19  -7.675  -8.267   3.389
  172   HD13  LEU  19          3HD1      LEU  19  -6.466  -8.345   2.105
  173   HD21  LEU  19          3HD2      LEU  19  -8.469 -11.569   2.466
  174   HD22  LEU  19          1HD2      LEU  19  -8.881  -9.860   2.327
  175   HD23  LEU  19          2HD2      LEU  19  -8.805 -10.623   3.916
  176    H    VAL  20           H        VAL  20  -3.373 -10.691   0.458
  177    HA   VAL  20           HA       VAL  20  -3.613 -12.820  -1.471
  178    HB   VAL  20           HB       VAL  20  -1.982 -11.604  -2.653
  179   HG11  VAL  20          1HG1      VAL  20  -3.853 -10.128  -1.248
  180   HG12  VAL  20          2HG1      VAL  20  -2.881  -9.543  -2.601
  181   HG13  VAL  20          3HG1      VAL  20  -2.337  -9.282  -0.941
  182   HG21  VAL  20          3HG2      VAL  20  -0.091 -11.913  -1.207
  183   HG22  VAL  20          1HG2      VAL  20  -0.827 -10.935   0.060
  184   HG23  VAL  20          2HG2      VAL  20  -0.268 -10.171  -1.427
  185    H    THR  21           H        THR  21  -1.476 -12.194   1.247
  186    HA   THR  21           HA       THR  21   0.188 -14.518   0.646
  187    HB   THR  21           HB       THR  21   0.129 -12.522   2.924
  188    HG1  THR  21           HG1      THR  21   2.168 -12.004   1.609
  189   HG21  THR  21          3HG2      THR  21   2.683 -13.475   2.793
  190   HG22  THR  21          1HG2      THR  21   1.761 -14.926   2.396
  191   HG23  THR  21          2HG2      THR  21   1.460 -14.078   3.913
  192    H    GLY  22           HN       GLY  22  -1.912 -13.468   3.332
  193    HA2  GLY  22           2HA      GLY  22  -1.967 -16.249   4.365
  194    HA3  GLY  22           1HA      GLY  22  -2.584 -14.827   5.209