*HEADER    ANTIMICROBIAL PROTEIN                   12-JAN-07   2OJM              
*TITLE     SOLUTION STRUCTURE AND CELL SELECTIVITY OF PISCIDIN 1 AND             
*TITLE    2 ITS ANALOGUES                                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MORONECIDIN;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: PISCIDIN-1;                                                 
*COMPND   5 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 2OJM    0                                                


!piscidin in 300mM SDS Micelles
! 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   ) 3.0 1.2 0.5 !M
assign (resid    4 and  name HN   )(resid    5 and  name HN   ) 3.0 1.2 0.5 !M
assign (resid    5 and  name HN   )(resid    6 and  name HN   ) 3.0 1.2 0.5 !M
assign (resid    6 and  name HN   )(resid    7 and  name HN   ) 3.0 1.2 1.0 !M+
assign (resid    7 and  name HN   )(resid    8 and  name HN   ) 3.0 1.2 0.5 !M
assign (resid    8 and  name HN   )(resid    9 and  name HN   ) 3.0 1.2 0.5 !M
assign (resid    9 and  name HN   )(resid   10 and  name HN   ) 3.0 1.2 0.5 !M
assign (resid   10 and  name HN   )(resid   11 and  name HN   ) 3.0 1.2 0.5 !M
assign (resid   11 and  name HN   )(resid   12 and  name HN   ) 3.0 1.2 0.5 !M
assign (resid   12 and  name HN   )(resid   13 and  name HN   ) 4.0 2.2 1.0 !M
assign (resid   13 and  name HN   )(resid   14 and  name HN   ) 3.0 1.2 0.5 !M
assign (resid   14 and  name HN   )(resid   15 and  name HN   ) 3.0 1.2 0.5 !M
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   ) 3.0 1.2 0.5 !M
assign (resid   19 and  name HN   )(resid   20 and  name HN   ) 3.0 1.2 0.5 !M
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   ) 4.0 2.2 1.0 !W
assign (resid    8 and  name HN   )(resid    7 and  name HA   ) 3.0 1.2 1.0 !M+
assign (resid    9 and  name HN   )(resid    8 and  name HA1  ) 4.0 2.2 1.0 !W
assign (resid    9 and  name HN   )(resid    8 and  name HA2  ) 4.0 2.2 1.0 !W
assign (resid   10 and  name HN   )(resid    9 and  name HA   ) 3.0 1.2 0.5 !M
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   ) 3.0 1.2 0.5 !M
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 HA1  ) 3.0 1.2 0.5 !M
assign (resid   14 and  name HN   )(resid   13 and  name HA2  ) 3.0 1.2 0.5 !M
assign (resid   15 and  name HN   )(resid   14 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid   16 and  name HN   )(resid   15 and  name HA   ) 3.0 1.2 0.5 !M
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    6 and  name HN   )(resid    4 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid    8 and  name HN   )(resid    6 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   10 and  name HN   )(resid    8 and  name HA   ) 3.0 1.2 1.0 !M+
assign (resid   12 and  name HN   )(resid   10 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   14 and  name HN   )(resid   12 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   16 and  name HN   )(resid   14 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid   19 and  name HN   )(resid   17 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   20 and  name HN   )(resid   18 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid   22 and  name HN   )(resid   20 and  name HA   ) 3.0 1.2 0.5 !M

! i-i+3
assign (resid    5 and  name HN   )(resid    2 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid    6 and  name HN   )(resid    3 and  name HA   ) 4.0 2.2 1.5 !W+
assign (resid    7 and  name HN   )(resid    4 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid    8 and  name HN   )(resid    5 and  name HA   ) 3.0 1.2 1.0 !M+
assign (resid    9 and  name HN   )(resid    6 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid   10 and  name HN   )(resid    7 and  name HA   ) 3.0 1.2 1.0 !M+
assign (resid   11 and  name HN   )(resid    8 and  name HA   ) 3.0 1.2 1.0 !M
assign (resid   12 and  name HN   )(resid    9 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   13 and  name HN   )(resid   10 and  name HA   ) 4.0 2.2 1.0 !W
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   ) 3.0 1.2 1.0 !M
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   ) 3.0 1.2 0.5 !M
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   ) 4.0 2.2 1.0 !W

! 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   ) 4.0 2.2 1.0 !W
assign (resid    9 and  name HN   )(resid    5 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   10 and  name HN   )(resid    6 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid   11 and  name HN   )(resid    7 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   13 and  name HN   )(resid    9 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   15 and  name HN   )(resid   11 and  name HA   ) 4.0 2.2 1.5 !W+
assign (resid   17 and  name HN   )(resid   13 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   18 and  name HN   )(resid   14 and  name HA   ) 4.0 2.2 1.0 !W
assign (resid   20 and  name HN   )(resid   16 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid   21 and  name HN   )(resid   17 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 1.0 !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  ) 4.0 2.2 1.0 !W
assign (resid    4 and  name HN   )(resid    3 and  name HB1  ) 3.0 1.2 0.5 !M
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  ) 3.0 1.2 0.5 !M
assign (resid    5 and  name HN   )(resid    4 and  name HB2  ) 3.0 1.2 0.5 !M
assign (resid    6 and  name HN   )(resid    5 and  name HB   ) 2.5 0.7 0.2 !S
assign (resid    6 and  name HN   )(resid    5 and  name HG11 ) 4.0 2.2 1.0 !W
assign (resid    6 and  name HN   )(resid    5 and  name HG12 ) 4.0 2.2 1.0 !W
assign (resid    6 and  name HN   )(resid    5 and  name HG2# ) 4.0 2.2 1.0 !W
assign (resid    6 and  name HN   )(resid    5 and  name HD1# ) 4.0 2.2 1.0 !W
assign (resid    7 and  name HN   )(resid    6 and  name HB1  ) 3.0 1.2 0.5 !M
assign (resid    7 and  name HN   )(resid    6 and  name HB2  ) 3.0 1.2 0.5 !M
assign (resid    8 and  name HN   )(resid    7 and  name HB1  ) 3.0 1.2 0.5 !M
assign (resid   10 and  name HN   )(resid    9 and  name HB   ) 2.5 0.7 0.2 !S
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 !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 HG#  ) 4.0 2.2 1.0 !W
assign (resid   12 and  name HN   )(resid   11 and  name HB#  ) 3.0 1.2 1.0 !M
assign (resid   13 and  name HN   )(resid   12 and  name HB   ) 3.0 1.2 1.0 !M+
assign (resid   13 and  name HN   )(resid   12 and  name HG1# ) 4.0 2.2 1.0 !W
assign (resid   13 and  name HN   )(resid   12 and  name HG2# ) 4.0 2.2 1.0 !W
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 HD#  ) 4.0 2.2 1.0 !W
assign (resid   16 and  name HN   )(resid   15 and  name HB   ) 3.0 1.2 0.5 !M
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   ) 3.0 1.2 0.5 !M
assign (resid   17 and  name HN   )(resid   16 and  name HG1# ) 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  ) 3.0 1.2 0.5 !M
assign (resid   18 and  name HN   )(resid   17 and  name HB2  ) 3.0 1.2 0.5 !M
assign (resid   19 and  name HN   )(resid   18 and  name HB1  ) 3.0 1.2 0.5 !M
assign (resid   19 and  name HN   )(resid   18 and  name HB2  ) 3.0 1.2 0.5 !M
assign (resid   20 and  name HN   )(resid   19 and  name HB#  ) 3.0 1.2 1.5 !M+
assign (resid   20 and  name HN   )(resid   19 and  name HD#  ) 4.0 2.2 1.0 !W
assign (resid   21 and  name HN   )(resid   20 and  name HB   ) 3.0 1.2 0.5 !M
assign (resid   21 and  name HN   )(resid   20 and  name HG1# ) 4.0 2.2 1.0 !W
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   ) 3.0 1.2 0.5 !M
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   8 and  name HN   )(resid    5 and  name HB    ) 3.0 1.2 1.5 !Mm
assign (resid   8 and  name HN   )(resid    5 and  name HG12  ) 4.0 2.2 1.0 !W
assign (resid   8 and  name HN   )(resid    5 and  name HG2#  ) 4.0 2.2 1.0 !W
assign (resid   8 and  name HN   )(resid    5 and  name HD1#  ) 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  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    4 and  name HA   )(resid   5 and  name HA    ) 3.0 1.2 1.5 !Mm 
assign (resid    4 and  name HA   )(resid   5 and  name HB    ) 4.0 2.2 1.5 !W+
assign (resid    4 and  name HA   )(resid   5 and  name HD1#  ) 4.0 2.2 1.0 !W
assign (resid    7 and  name HA   )(resid  10 and  name HB    ) 2.5 0.7 0.2 !S 
assign (resid    7 and  name HA   )(resid  10 and  name HG#   ) 4.0 2.2 1.0 !W
assign (resid    6 and  name HA   )(resid   9 and  name HB    ) 3.0 1.2 0.5 !M
assign (resid    6 and  name HA   )(resid   9 and  name HG1#  ) 4.0 2.2 1.0 !W
assign (resid    6 and  name HA   )(resid   9 and  name HG2#  ) 4.0 2.2 1.0 !W
assign (resid    6 and  name HA   )(resid   9 and  name HD1#  ) 4.0 2.2 1.0 !W
assign (resid    9 and  name HA   )(resid  12 and  name HB    ) 3.0 1.2 1.0 !M+
assign (resid    9 and  name HA   )(resid  12 and  name HG1#  ) 4.0 2.2 1.0 !W
assign (resid    9 and  name HA   )(resid  12 and  name HG2#  ) 4.0 2.2 1.0 !W
assign (resid   11 and  name HA   )(resid  12 and  name HA    ) 4.0 2.2 1.0 !W
assign (resid   11 and  name HA   )(resid  12 and  name HG1#  ) 4.0 2.2 2.0 !Wm
assign (resid   11 and  name HA   )(resid  12 and  name HG2#  ) 4.0 2.2 2.0 !Wm
assign (resid   11 and  name HB#  )(resid  12 and  name HG1#  ) 4.0 2.2 1.0 !W
assign (resid   11 and  name HB#  )(resid  12 and  name HG2#  ) 4.0 2.2 1.5 !W+
assign (resid   15 and  name HA   )(resid  14 and  name HB#   ) 4.0 2.2 1.0 !W
assign (resid   15 and  name HA   )(resid  14 and  name HD#   ) 4.0 2.2 1.0 !W
assign (resid   18 and  name HA   )(resid  21 and  name HG#   ) 3.0 1.2 1.0 !M+ 
assign (resid   21 and  name HA   )(resid  20 and  name HB    ) 4.0 2.2 1.5 !W+
assign (resid   21 and  name HA   )(resid  20 and  name HG1#  ) 4.0 2.2 1.0 !W
assign (resid   21 and  name HA   )(resid  20 and  name HG2#  ) 4.0 2.2 1.5 !W+

! Intra-residual NOEs
assign (resid    2 and  name HN   )(resid    2 and  name HB1  ) 3.0 1.2 0.5 !M
assign (resid    2 and  name HD#  )(resid    2 and  name HA   ) 2.5 0.7 0.2 !S
assign (resid    2 and  name HD#  )(resid    2 and  name HB1  ) 2.5 0.7 0.2 !S
assign (resid    2 and  name HD#  )(resid    2 and  name HB2  ) 2.5 0.7 0.2 !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 0.5 !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 0.2 !S
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 0.5 !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 0.7 !S+
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 0.5 !M
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 0.5 !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 HA1  ) 2.5 0.7 0.7 !S
assign (resid   13 and  name NH   )(resid   13 and  name HA2  ) 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 0.5 !M
assign (resid    2 and  name HA   )(resid    2 and  name HB2  ) 3.0 1.2 0.5 !M
assign (resid    3 and  name HA   )(resid    3 and  name HB1  ) 3.0 1.2 0.5 !M
assign (resid    3 and  name HA   )(resid    3 and  name HB2  ) 3.0 1.2 0.5 !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 0.2 !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           1H       PHE   1  -3.071  15.250   4.429
    2    H2   PHE   1           2H       PHE   1  -1.422  15.405   4.054
    3    H3   PHE   1           3H       PHE   1  -1.963  15.658   5.645
    4    HA   PHE   1           HA       PHE   1  -0.867  13.463   5.324
    5    HB2  PHE   1           1HB      PHE   1  -2.577  12.380   6.665
    6    HB3  PHE   1           2HB      PHE   1  -2.585  14.099   7.061
    7    HD1  PHE   1           HD2      PHE   1  -4.385  15.574   6.265
    8    HD2  PHE   1           HD1      PHE   1  -4.398  11.363   5.414
    9    HE1  PHE   1           HE2      PHE   1  -6.769  15.716   5.598
   10    HE2  PHE   1           HE1      PHE   1  -6.782  11.506   4.747
   11    HZ   PHE   1           HZ       PHE   1  -7.968  13.682   4.839
   12    H    PHE   2           H        PHE   2  -2.012  14.292   2.610
   13    HA   PHE   2           HA       PHE   2  -3.701  12.174   1.631
   14    HB2  PHE   2           1HB      PHE   2  -1.844  14.224   0.416
   15    HB3  PHE   2           2HB      PHE   2  -2.742  13.079  -0.585
   16    HD1  PHE   2           HD2      PHE   2  -5.257  12.865  -0.147
   17    HD2  PHE   2           HD1      PHE   2  -2.902  16.214   1.113
   18    HE1  PHE   2           HE2      PHE   2  -7.320  14.243   0.027
   19    HE2  PHE   2           HE1      PHE   2  -4.954  17.599   1.291
   20    HZ   PHE   2           HZ       PHE   2  -7.165  16.612   0.748
   21    H    HIS   3           H        HIS   3  -0.494  12.709   0.251
   22    HA   HIS   3           HA       HIS   3  -0.077   9.911  -0.284
   23    HB2  HIS   3           1HB      HIS   3   1.116  12.472  -0.814
   24    HB3  HIS   3           2HB      HIS   3   2.376  11.353  -0.293
   25    HD1  HIS   3           HD1      HIS   3  -0.249  11.818  -2.963
   26    HD2  HIS   3           HD2      HIS   3   2.926   9.254  -2.105
   27    HE1  HIS   3           HE1      HIS   3   0.114  10.407  -5.035
   28    H    HIS   4           H        HIS   4   0.677  11.954   2.458
   29    HA   HIS   4           HA       HIS   4   2.797  10.439   3.619
   30    HB2  HIS   4           1HB      HIS   4   0.787  12.456   4.422
   31    HB3  HIS   4           2HB      HIS   4   1.478  11.509   5.737
   32    HD1  HIS   4           HD1      HIS   4   3.036  13.291   6.693
   33    HD2  HIS   4           HD2      HIS   4   3.607  12.670   2.610
   34    HE1  HIS   4           HE1      HIS   4   5.135  14.560   6.062
   35    H    ILE   5           H        ILE   5  -0.581   9.861   3.397
   36    HA   ILE   5           HA       ILE   5  -0.386   7.650   5.390
   37    HB   ILE   5           HB       ILE   5  -2.720   9.025   4.083
   38   HG12  ILE   5          1HG1      ILE   5  -1.431  10.611   5.336
   39   HG13  ILE   5          2HG1      ILE   5  -2.859  10.218   6.301
   40   HG21  ILE   5          1HG2      ILE   5  -3.067   7.813   6.737
   41   HG22  ILE   5          2HG2      ILE   5  -2.657   6.637   5.489
   42   HG23  ILE   5          3HG2      ILE   5  -4.081   7.661   5.301
   43   HD11  ILE   5          3HD1      ILE   5  -1.505   8.554   7.551
   44   HD12  ILE   5          1HD1      ILE   5  -0.838  10.181   7.701
   45   HD13  ILE   5          2HD1      ILE   5  -0.094   9.019   6.600
   46    H    PHE   6           H        PHE   6  -1.485   8.467   2.125
   47    HA   PHE   6           HA       PHE   6  -2.410   5.937   1.273
   48    HB2  PHE   6           1HB      PHE   6  -1.449   8.418   0.122
   49    HB3  PHE   6           2HB      PHE   6  -0.825   7.057  -0.808
   50    HD1  PHE   6           HD1      PHE   6  -2.827   5.043  -0.759
   51    HD2  PHE   6           HD2      PHE   6  -3.338   9.303  -0.918
   52    HE1  PHE   6           HE1      PHE   6  -5.040   4.737  -1.826
   53    HE2  PHE   6           HE2      PHE   6  -5.553   8.997  -1.985
   54    HZ   PHE   6           HZ       PHE   6  -6.407   6.713  -2.441
   55    H    ARG   7           H        ARG   7   0.768   7.136   1.989
   56    HA   ARG   7           HA       ARG   7   2.159   4.748   0.971
   57    HB2  ARG   7           1HB      ARG   7   2.741   7.465   1.999
   58    HB3  ARG   7           2HB      ARG   7   3.928   6.240   2.425
   59    HG2  ARG   7           1HG      ARG   7   4.271   5.658   0.107
   60    HG3  ARG   7           2HG      ARG   7   2.928   6.687  -0.392
   61    HD2  ARG   7           1HD      ARG   7   4.839   8.026  -0.825
   62    HD3  ARG   7           2HD      ARG   7   4.289   8.607   0.760
   63    HE   ARG   7           HE       ARG   7   6.356   6.454   0.547
   64   HH11  ARG   7          1HH1      ARG   7   5.298   7.400   3.215
   65   HH12  ARG   7          2HH1      ARG   7   6.518   8.532   3.693
   66   HH21  ARG   7          1HH2      ARG   7   7.887   8.804   0.519
   67   HH22  ARG   7          2HH2      ARG   7   7.984   9.325   2.169
   68    H    GLY   8           H        GLY   8   0.964   6.205   3.976
   69    HA2  GLY   8           1HA      GLY   8   2.328   4.302   5.717
   70    HA3  GLY   8           2HA      GLY   8   1.023   5.397   6.193
   71    H    ILE   9           H        ILE   9  -0.870   4.509   4.179
   72    HA   ILE   9           HA       ILE   9  -1.879   2.106   5.547
   73    HB   ILE   9           HB       ILE   9  -2.854   3.859   3.274
   74   HG12  ILE   9          1HG1      ILE   9  -4.094   3.619   6.000
   75   HG13  ILE   9          2HG1      ILE   9  -2.671   4.639   5.781
   76   HG21  ILE   9          1HG2      ILE   9  -5.067   2.576   4.222
   77   HG22  ILE   9          2HG2      ILE   9  -3.856   1.301   4.369
   78   HG23  ILE   9          3HG2      ILE   9  -4.160   2.053   2.802
   79   HD11  ILE   9          3HD1      ILE   9  -3.813   5.890   4.008
   80   HD12  ILE   9          1HD1      ILE   9  -4.774   5.925   5.487
   81   HD13  ILE   9          2HD1      ILE   9  -5.229   4.850   4.165
   82    H    VAL  10           H        VAL  10  -0.796   2.961   2.256
   83    HA   VAL  10           HA       VAL  10  -1.322   0.505   0.967
   84    HB   VAL  10           HB       VAL  10   0.735   2.688   0.681
   85   HG11  VAL  10          1HG1      VAL  10   1.236   1.526  -1.584
   86   HG12  VAL  10          2HG1      VAL  10   0.607   0.071  -0.812
   87   HG13  VAL  10          3HG1      VAL  10   2.019   0.885  -0.140
   88   HG21  VAL  10          3HG2      VAL  10  -0.623   3.413  -1.059
   89   HG22  VAL  10          1HG2      VAL  10  -1.830   2.657  -0.019
   90   HG23  VAL  10          2HG2      VAL  10  -1.204   1.787  -1.419
   91    H    HIS  11           H        HIS  11   1.851   1.485   2.332
   92    HA   HIS  11           HA       HIS  11   3.179  -0.968   2.152
   93    HB2  HIS  11           1HB      HIS  11   3.275   1.477   3.790
   94    HB3  HIS  11           2HB      HIS  11   4.011   0.072   4.559
   95    HD1  HIS  11           HD1      HIS  11   6.459   0.139   4.110
   96    HD2  HIS  11           HD2      HIS  11   4.261   1.290   0.759
   97    HE1  HIS  11           HE1      HIS  11   8.137   0.541   2.256
   98    H    VAL  12           H        VAL  12   1.556   0.189   5.116
   99    HA   VAL  12           HA       VAL  12   1.595  -2.221   6.566
  100    HB   VAL  12           HB       VAL  12  -0.404  -1.192   7.709
  101   HG11  VAL  12          1HG1      VAL  12   1.848  -0.482   8.337
  102   HG12  VAL  12          2HG1      VAL  12   0.769   0.913   8.339
  103   HG13  VAL  12          3HG1      VAL  12   1.883   0.661   6.995
  104   HG21  VAL  12          3HG2      VAL  12  -1.586  -0.271   5.855
  105   HG22  VAL  12          1HG2      VAL  12  -0.185   0.674   5.358
  106   HG23  VAL  12          2HG2      VAL  12  -1.044   1.088   6.839
  107    H    GLY  13           H        GLY  13  -0.895  -1.034   4.289
  108    HA2  GLY  13           1HA      GLY  13  -2.640  -3.280   4.519
  109    HA3  GLY  13           2HA      GLY  13  -2.564  -2.200   3.124
  110    H    LYS  14           H        LYS  14   0.395  -2.806   2.871
  111    HA   LYS  14           HA       LYS  14   0.089  -5.126   1.106
  112    HB2  LYS  14           1HB      LYS  14   1.502  -2.954   0.830
  113    HB3  LYS  14           2HB      LYS  14   2.661  -3.756   1.890
  114    HG2  LYS  14           1HG      LYS  14   1.642  -5.420  -0.332
  115    HG3  LYS  14           2HG      LYS  14   2.636  -4.049  -0.822
  116    HD2  LYS  14           1HD      LYS  14   3.891  -5.242   1.440
  117    HD3  LYS  14           2HD      LYS  14   3.485  -6.539   0.315
  118    HE2  LYS  14           1HE      LYS  14   4.970  -3.997  -0.447
  119    HE3  LYS  14           2HE      LYS  14   5.725  -5.584  -0.194
  120    HZ1  LYS  14           3HZ      LYS  14   3.807  -4.759  -2.278
  121    HZ2  LYS  14           1HZ      LYS  14   3.898  -6.385  -1.806
  122    HZ3  LYS  14           2HZ      LYS  14   5.267  -5.612  -2.447
  123    H    THR  15           H        THR  15   1.734  -4.380   4.156
  124    HA   THR  15           HA       THR  15   3.206  -6.725   4.574
  125    HB   THR  15           HB       THR  15   1.545  -4.998   6.437
  126    HG1  THR  15           HG1      THR  15   4.319  -5.051   6.411
  127   HG21  THR  15          3HG2      THR  15   3.794  -6.788   7.329
  128   HG22  THR  15          1HG2      THR  15   2.141  -7.399   7.247
  129   HG23  THR  15          2HG2      THR  15   2.526  -6.037   8.299
  130    H    ILE  16           H        ILE  16  -0.251  -6.262   4.494
  131    HA   ILE  16           HA       ILE  16  -0.842  -8.853   5.792
  132    HB   ILE  16           HB       ILE  16  -2.418  -6.590   4.553
  133   HG12  ILE  16          1HG1      ILE  16  -3.348  -7.223   7.110
  134   HG13  ILE  16          2HG1      ILE  16  -1.602  -7.449   7.220
  135   HG21  ILE  16          1HG2      ILE  16  -4.340  -8.149   5.674
  136   HG22  ILE  16          2HG2      ILE  16  -3.252  -9.393   5.058
  137   HG23  ILE  16          3HG2      ILE  16  -3.936  -8.195   3.958
  138   HD11  ILE  16          3HD1      ILE  16  -1.233  -5.228   7.144
  139   HD12  ILE  16          1HD1      ILE  16  -2.974  -5.009   7.324
  140   HD13  ILE  16          2HD1      ILE  16  -2.252  -5.051   5.716
  141    H    HIS  17           H        HIS  17  -1.462  -7.458   2.530
  142    HA   HIS  17           HA       HIS  17  -2.401  -9.742   1.248
  143    HB2  HIS  17           1HB      HIS  17  -0.533  -7.527   0.461
  144    HB3  HIS  17           2HB      HIS  17  -0.986  -8.768  -0.702
  145    HD1  HIS  17           HD1      HIS  17  -2.660  -6.253   1.622
  146    HD2  HIS  17           HD2      HIS  17  -3.449  -8.331  -1.906
  147    HE1  HIS  17           HE1      HIS  17  -4.878  -5.386   0.759
  148    H    ARG  18           H        ARG  18   1.014  -8.882   1.857
  149    HA   ARG  18           HA       ARG  18   2.026 -11.343   0.699
  150    HB2  ARG  18           1HB      ARG  18   3.144  -9.011   1.105
  151    HB3  ARG  18           2HB      ARG  18   3.435  -9.617   2.735
  152    HG2  ARG  18           1HG      ARG  18   4.159 -11.648   0.830
  153    HG3  ARG  18           2HG      ARG  18   4.965 -10.138   0.405
  154    HD2  ARG  18           1HD      ARG  18   5.850  -9.934   2.694
  155    HD3  ARG  18           2HD      ARG  18   5.010 -11.427   3.158
  156    HE   ARG  18           HE       ARG  18   6.684 -12.641   2.021
  157   HH11  ARG  18          1HH1      ARG  18   6.729  -9.299   1.175
  158   HH12  ARG  18          2HH1      ARG  18   8.021  -9.470   0.035
  159   HH21  ARG  18          1HH2      ARG  18   8.287 -12.901   0.441
  160   HH22  ARG  18          2HH2      ARG  18   8.902 -11.506  -0.381
  161    H    LEU  19           H        LEU  19   1.572 -10.157   4.028
  162    HA   LEU  19           HA       LEU  19   2.375 -12.576   5.331
  163    HB2  LEU  19           1HB      LEU  19   2.113 -10.354   6.405
  164    HB3  LEU  19           2HB      LEU  19   0.372 -10.434   6.133
  165    HG   LEU  19           HG       LEU  19   1.464 -12.809   7.476
  166   HD11  LEU  19          1HD1      LEU  19   2.941 -11.214   8.535
  167   HD12  LEU  19          2HD1      LEU  19   1.651 -11.590   9.677
  168   HD13  LEU  19          3HD1      LEU  19   1.616 -10.075   8.774
  169   HD21  LEU  19          3HD2      LEU  19  -0.610 -12.799   8.466
  170   HD22  LEU  19          1HD2      LEU  19  -0.993 -11.738   7.110
  171   HD23  LEU  19          2HD2      LEU  19  -0.609 -11.050   8.687
  172    H    VAL  20           H        VAL  20  -0.410 -11.727   3.443
  173    HA   VAL  20           HA       VAL  20  -1.954 -14.016   4.618
  174    HB   VAL  20           HB       VAL  20  -2.683 -11.463   4.073
  175   HG11  VAL  20          1HG1      VAL  20  -3.444 -13.137   1.674
  176   HG12  VAL  20          2HG1      VAL  20  -2.449 -11.684   1.668
  177   HG13  VAL  20          3HG1      VAL  20  -4.164 -11.576   2.061
  178   HG21  VAL  20          3HG2      VAL  20  -4.858 -12.172   4.572
  179   HG22  VAL  20          1HG2      VAL  20  -3.876 -13.483   5.227
  180   HG23  VAL  20          2HG2      VAL  20  -4.678 -13.676   3.668
  181    H    THR  21           H        THR  21  -0.701 -12.813   1.530
  182    HA   THR  21           HA       THR  21  -1.750 -14.845  -0.160
  183    HB   THR  21           HB       THR  21   0.851 -13.278  -0.235
  184    HG1  THR  21           HG1      THR  21  -0.316 -11.778  -1.228
  185   HG21  THR  21          3HG2      THR  21  -0.206 -13.960  -2.818
  186   HG22  THR  21          1HG2      THR  21  -0.007 -15.432  -1.870
  187   HG23  THR  21          2HG2      THR  21   1.369 -14.361  -2.132
  188    H    GLY  22           H        GLY  22   0.574 -15.068   2.360
  189    HA2  GLY  22           1HA      GLY  22   0.905 -17.686   2.699
  190    HA3  GLY  22           2HA      GLY  22   1.832 -17.497   1.209
  Start of MODEL    2
    1    H1   PHE   1           1H       PHE   1  -2.002  15.107   5.351
    2    H2   PHE   1           2H       PHE   1  -1.033  15.827   4.155
    3    H3   PHE   1           3H       PHE   1  -0.542  15.857   5.781
    4    HA   PHE   1           HA       PHE   1   0.690  14.181   4.476
    5    HB2  PHE   1           1HB      PHE   1  -1.229  13.219   6.624
    6    HB3  PHE   1           2HB      PHE   1   0.289  12.432   6.190
    7    HD1  PHE   1           HD2      PHE   1   2.336  14.255   6.024
    8    HD2  PHE   1           HD1      PHE   1  -1.141  14.547   8.529
    9    HE1  PHE   1           HE2      PHE   1   3.564  15.772   7.553
   10    HE2  PHE   1           HE1      PHE   1   0.087  16.065  10.058
   11    HZ   PHE   1           HZ       PHE   1   2.441  16.678   9.570
   12    H    PHE   2           H        PHE   2  -2.093  14.632   3.139
   13    HA   PHE   2           HA       PHE   2  -3.538  12.303   2.687
   14    HB2  PHE   2           1HB      PHE   2  -4.034  14.476   1.696
   15    HB3  PHE   2           2HB      PHE   2  -2.578  14.390   0.700
   16    HD1  PHE   2           HD2      PHE   2  -5.675  12.499   1.504
   17    HD2  PHE   2           HD1      PHE   2  -2.740  13.472  -1.461
   18    HE1  PHE   2           HE2      PHE   2  -6.979  11.234  -0.195
   19    HE2  PHE   2           HE1      PHE   2  -4.034  12.214  -3.166
   20    HZ   PHE   2           HZ       PHE   2  -6.155  11.094  -2.532
   21    H    HIS   3           H        HIS   3  -0.250  12.996   1.698
   22    HA   HIS   3           HA       HIS   3  -0.177  10.530   0.016
   23    HB2  HIS   3           1HB      HIS   3   0.650  12.591  -0.986
   24    HB3  HIS   3           2HB      HIS   3   1.702  12.881   0.399
   25    HD1  HIS   3           HD1      HIS   3   4.049  12.364  -0.244
   26    HD2  HIS   3           HD2      HIS   3   1.374   9.651  -1.937
   27    HE1  HIS   3           HE1      HIS   3   5.448  10.675  -1.511
   28    H    HIS   4           H        HIS   4   1.325  12.057   2.843
   29    HA   HIS   4           HA       HIS   4   3.311  10.072   3.359
   30    HB2  HIS   4           1HB      HIS   4   2.095  12.396   4.602
   31    HB3  HIS   4           2HB      HIS   4   2.451  11.149   5.798
   32    HD1  HIS   4           HD1      HIS   4   4.506  12.331   6.802
   33    HD2  HIS   4           HD2      HIS   4   4.816  11.703   2.694
   34    HE1  HIS   4           HE1      HIS   4   6.906  12.846   6.178
   35    H    ILE   5           H        ILE   5  -0.053   9.941   3.589
   36    HA   ILE   5           HA       ILE   5   0.055   7.650   5.501
   37    HB   ILE   5           HB       ILE   5  -2.215   9.351   4.502
   38   HG12  ILE   5          1HG1      ILE   5  -0.604  10.738   5.617
   39   HG13  ILE   5          2HG1      ILE   5  -1.950  10.490   6.738
   40   HG21  ILE   5          1HG2      ILE   5  -2.351   8.074   7.160
   41   HG22  ILE   5          2HG2      ILE   5  -2.323   6.937   5.812
   42   HG23  ILE   5          3HG2      ILE   5  -3.583   8.169   5.901
   43   HD11  ILE   5          3HD1      ILE   5   0.655   8.946   6.695
   44   HD12  ILE   5          1HD1      ILE   5  -0.682   8.651   7.806
   45   HD13  ILE   5          2HD1      ILE   5   0.208  10.173   7.883
   46    H    PHE   6           H        PHE   6  -1.450   8.757   2.481
   47    HA   PHE   6           HA       PHE   6  -2.705   6.367   1.662
   48    HB2  PHE   6           1HB      PHE   6  -1.695   8.834   0.491
   49    HB3  PHE   6           2HB      PHE   6  -1.423   7.483  -0.608
   50    HD1  PHE   6           HD2      PHE   6  -3.294   6.196  -1.521
   51    HD2  PHE   6           HD1      PHE   6  -3.952   9.510   1.131
   52    HE1  PHE   6           HE2      PHE   6  -5.694   6.224  -2.151
   53    HE2  PHE   6           HE1      PHE   6  -6.352   9.538   0.500
   54    HZ   PHE   6           HZ       PHE   6  -7.222   7.895  -1.141
   55    H    ARG   7           H        ARG   7   0.635   7.269   1.887
   56    HA   ARG   7           HA       ARG   7   1.612   4.843   0.518
   57    HB2  ARG   7           1HB      ARG   7   3.645   5.993   0.543
   58    HB3  ARG   7           2HB      ARG   7   2.528   7.350   0.633
   59    HG2  ARG   7           1HG      ARG   7   2.712   7.084   3.199
   60    HG3  ARG   7           2HG      ARG   7   4.141   6.108   2.855
   61    HD2  ARG   7           1HD      ARG   7   3.809   8.858   1.639
   62    HD3  ARG   7           2HD      ARG   7   4.532   8.635   3.246
   63    HE   ARG   7           HE       ARG   7   6.434   7.734   2.182
   64   HH11  ARG   7          1HH1      ARG   7   4.134   8.502  -0.163
   65   HH12  ARG   7          2HH1      ARG   7   4.781   7.454  -1.381
   66   HH21  ARG   7          1HH2      ARG   7   7.083   5.965   0.741
   67   HH22  ARG   7          2HH2      ARG   7   6.450   6.020  -0.870
   68    H    GLY   8           H        GLY   8   1.136   6.228   3.736
   69    HA2  GLY   8           1HA      GLY   8   2.580   4.131   5.147
   70    HA3  GLY   8           2HA      GLY   8   1.461   5.288   5.878
   71    H    ILE   9           H        ILE   9  -0.772   4.623   4.112
   72    HA   ILE   9           HA       ILE   9  -1.728   2.228   5.537
   73    HB   ILE   9           HB       ILE   9  -2.933   4.181   3.555
   74   HG12  ILE   9          1HG1      ILE   9  -3.691   3.824   6.447
   75   HG13  ILE   9          2HG1      ILE   9  -2.291   4.806   6.013
   76   HG21  ILE   9          1HG2      ILE   9  -4.371   2.426   3.207
   77   HG22  ILE   9          2HG2      ILE   9  -5.072   3.026   4.710
   78   HG23  ILE   9          3HG2      ILE   9  -3.965   1.653   4.740
   79   HD11  ILE   9          3HD1      ILE   9  -4.186   6.288   6.124
   80   HD12  ILE   9          1HD1      ILE   9  -5.159   5.206   5.127
   81   HD13  ILE   9          2HD1      ILE   9  -3.795   6.070   4.418
   82    H    VAL  10           H        VAL  10  -1.130   3.223   2.166
   83    HA   VAL  10           HA       VAL  10  -2.003   0.865   0.858
   84    HB   VAL  10           HB       VAL  10   0.068   2.989   0.324
   85   HG11  VAL  10          1HG1      VAL  10  -0.229   0.377  -1.035
   86   HG12  VAL  10          2HG1      VAL  10   1.143   1.483  -1.009
   87   HG13  VAL  10          3HG1      VAL  10  -0.207   1.779  -2.105
   88   HG21  VAL  10          3HG2      VAL  10  -2.578   3.111   0.118
   89   HG22  VAL  10          1HG2      VAL  10  -2.273   2.303  -1.419
   90   HG23  VAL  10          2HG2      VAL  10  -1.548   3.877  -1.092
   91    H    HIS  11           H        HIS  11   1.113   1.595   2.417
   92    HA   HIS  11           HA       HIS  11   2.405  -0.862   1.575
   93    HB2  HIS  11           1HB      HIS  11   2.881   1.398   3.469
   94    HB3  HIS  11           2HB      HIS  11   3.834  -0.070   3.688
   95    HD1  HIS  11           HD1      HIS  11   6.010   0.152   2.506
   96    HD2  HIS  11           HD2      HIS  11   2.924   1.963   0.366
   97    HE1  HIS  11           HE1      HIS  11   7.044   1.041   0.372
   98    H    VAL  12           H        VAL  12   1.141   0.207   4.744
   99    HA   VAL  12           HA       VAL  12   1.454  -2.192   6.177
  100    HB   VAL  12           HB       VAL  12  -0.492  -1.274   7.497
  101   HG11  VAL  12          1HG1      VAL  12   1.962   0.155   6.752
  102   HG12  VAL  12          2HG1      VAL  12   1.295  -0.172   8.352
  103   HG13  VAL  12          3HG1      VAL  12   0.705   1.201   7.414
  104   HG21  VAL  12          3HG2      VAL  12  -0.535   0.800   5.306
  105   HG22  VAL  12          1HG2      VAL  12  -1.543   0.778   6.750
  106   HG23  VAL  12          2HG2      VAL  12  -1.750  -0.462   5.516
  107    H    GLY  13           H        GLY  13  -1.128  -1.213   3.939
  108    HA2  GLY  13           1HA      GLY  13  -2.818  -3.492   4.367
  109    HA3  GLY  13           2HA      GLY  13  -2.830  -2.473   2.923
  110    H    LYS  14           H        LYS  14   0.073  -2.928   2.473
  111    HA   LYS  14           HA       LYS  14  -0.161  -5.354   0.872
  112    HB2  LYS  14           1HB      LYS  14   1.090  -3.332   0.176
  113    HB3  LYS  14           2HB      LYS  14   2.181  -3.541   1.546
  114    HG2  LYS  14           1HG      LYS  14   2.327  -6.013   0.409
  115    HG3  LYS  14           2HG      LYS  14   2.075  -5.011  -1.020
  116    HD2  LYS  14           1HD      LYS  14   4.067  -4.076   1.000
  117    HD3  LYS  14           2HD      LYS  14   4.520  -5.427  -0.040
  118    HE2  LYS  14           1HE      LYS  14   3.353  -2.872  -1.164
  119    HE3  LYS  14           2HE      LYS  14   5.099  -3.094  -0.937
  120    HZ1  LYS  14           3HZ      LYS  14   4.983  -5.134  -2.215
  121    HZ2  LYS  14           1HZ      LYS  14   4.391  -3.841  -3.141
  122    HZ3  LYS  14           2HZ      LYS  14   3.309  -4.941  -2.429
  123    H    THR  15           H        THR  15   1.470  -4.401   3.867
  124    HA   THR  15           HA       THR  15   3.090  -6.651   4.339
  125    HB   THR  15           HB       THR  15   1.376  -4.988   6.217
  126    HG1  THR  15           HG1      THR  15   4.144  -4.792   5.722
  127   HG21  THR  15          3HG2      THR  15   3.077  -5.694   7.933
  128   HG22  THR  15          1HG2      THR  15   3.687  -6.865   6.765
  129   HG23  THR  15          2HG2      THR  15   2.038  -7.005   7.373
  130    H    ILE  16           H        ILE  16  -0.376  -6.356   4.287
  131    HA   ILE  16           HA       ILE  16  -0.846  -8.889   5.739
  132    HB   ILE  16           HB       ILE  16  -2.557  -6.844   4.296
  133   HG12  ILE  16          1HG1      ILE  16  -2.761  -7.631   7.189
  134   HG13  ILE  16          2HG1      ILE  16  -1.452  -6.563   6.679
  135   HG21  ILE  16          1HG2      ILE  16  -3.584  -9.055   4.004
  136   HG22  ILE  16          2HG2      ILE  16  -4.511  -8.105   5.165
  137   HG23  ILE  16          3HG2      ILE  16  -3.423  -9.374   5.731
  138   HD11  ILE  16          3HD1      ILE  16  -4.404  -6.075   6.684
  139   HD12  ILE  16          1HD1      ILE  16  -3.435  -5.303   5.430
  140   HD13  ILE  16          2HD1      ILE  16  -3.089  -4.989   7.130
  141    H    HIS  17           H        HIS  17  -1.387  -7.704   2.385
  142    HA   HIS  17           HA       HIS  17  -2.264 -10.099   1.232
  143    HB2  HIS  17           1HB      HIS  17  -0.462  -7.869   0.340
  144    HB3  HIS  17           2HB      HIS  17  -0.845  -9.197  -0.750
  145    HD1  HIS  17           HD1      HIS  17  -2.057  -7.059  -2.063
  146    HD2  HIS  17           HD2      HIS  17  -3.894  -8.473   1.401
  147    HE1  HIS  17           HE1      HIS  17  -4.442  -6.211  -2.120
  148    H    ARG  18           H        ARG  18   1.091  -9.070   1.887
  149    HA   ARG  18           HA       ARG  18   2.228 -11.563   0.911
  150    HB2  ARG  18           1HB      ARG  18   3.224  -9.141   1.183
  151    HB3  ARG  18           2HB      ARG  18   3.553  -9.662   2.836
  152    HG2  ARG  18           1HG      ARG  18   5.031 -11.348   2.149
  153    HG3  ARG  18           2HG      ARG  18   4.367 -11.397   0.516
  154    HD2  ARG  18           1HD      ARG  18   6.266 -10.164   0.053
  155    HD3  ARG  18           2HD      ARG  18   5.235  -8.821   0.584
  156    HE   ARG  18           HE       ARG  18   7.054 -10.296   2.455
  157   HH11  ARG  18          1HH1      ARG  18   6.750  -7.418   0.805
  158   HH12  ARG  18          2HH1      ARG  18   6.871  -6.391   2.194
  159   HH21  ARG  18          1HH2      ARG  18   6.662  -8.997   4.471
  160   HH22  ARG  18          2HH2      ARG  18   6.820  -7.284   4.269
  161    H    LEU  19           H        LEU  19   1.569 -10.149   4.107
  162    HA   LEU  19           HA       LEU  19   2.479 -12.390   5.647
  163    HB2  LEU  19           1HB      LEU  19   2.052 -10.150   6.567
  164    HB3  LEU  19           2HB      LEU  19   0.347 -10.278   6.137
  165    HG   LEU  19           HG       LEU  19   1.333 -12.530   7.752
  166   HD11  LEU  19          1HD1      LEU  19   2.390 -11.338   9.345
  167   HD12  LEU  19          2HD1      LEU  19   0.861 -10.521   9.673
  168   HD13  LEU  19          3HD1      LEU  19   2.006  -9.824   8.527
  169   HD21  LEU  19          3HD2      LEU  19  -1.073 -11.860   7.094
  170   HD22  LEU  19          1HD2      LEU  19  -0.927 -10.607   8.326
  171   HD23  LEU  19          2HD2      LEU  19  -0.797 -12.308   8.777
  172    H    VAL  20           H        VAL  20  -0.267 -11.871   3.588
  173    HA   VAL  20           HA       VAL  20  -1.703 -14.183   4.857
  174    HB   VAL  20           HB       VAL  20  -2.588 -11.725   4.175
  175   HG11  VAL  20          1HG1      VAL  20  -2.223 -12.015   1.793
  176   HG12  VAL  20          2HG1      VAL  20  -3.958 -11.998   2.105
  177   HG13  VAL  20          3HG1      VAL  20  -3.127 -13.526   1.810
  178   HG21  VAL  20          3HG2      VAL  20  -4.609 -13.797   3.664
  179   HG22  VAL  20          1HG2      VAL  20  -4.558 -12.563   4.923
  180   HG23  VAL  20          2HG2      VAL  20  -3.666 -14.071   5.128
  181    H    THR  21           H        THR  21  -0.431 -13.056   1.752
  182    HA   THR  21           HA       THR  21  -1.276 -15.330   0.210
  183    HB   THR  21           HB       THR  21   0.997 -13.340  -0.072
  184    HG1  THR  21           HG1      THR  21  -0.539 -12.107  -0.748
  185   HG21  THR  21          3HG2      THR  21   1.523 -15.283  -1.418
  186   HG22  THR  21          1HG2      THR  21   0.931 -14.015  -2.490
  187   HG23  THR  21          2HG2      THR  21  -0.127 -15.352  -2.037
  188    H    GLY  22           H        GLY  22   0.977 -15.108   2.727
  189    HA2  GLY  22           1HA      GLY  22   2.932 -17.011   1.699
  190    HA3  GLY  22           2HA      GLY  22   2.814 -16.448   3.367
  Start of MODEL    3
    1    H1   PHE   1           1H       PHE   1   2.503  14.366   3.915
    2    H2   PHE   1           2H       PHE   1   3.203  15.157   5.246
    3    H3   PHE   1           3H       PHE   1   1.969  15.914   4.357
    4    HA   PHE   1           HA       PHE   1   1.770  13.733   6.326
    5    HB2  PHE   1           1HB      PHE   1   1.195  16.483   6.104
    6    HB3  PHE   1           2HB      PHE   1  -0.371  15.672   6.045
    7    HD1  PHE   1           HD2      PHE   1   2.878  15.255   7.892
    8    HD2  PHE   1           HD1      PHE   1  -1.411  15.374   8.100
    9    HE1  PHE   1           HE2      PHE   1   2.986  14.865  10.339
   10    HE2  PHE   1           HE1      PHE   1  -1.304  14.984  10.547
   11    HZ   PHE   1           HZ       PHE   1   0.895  14.729  11.666
   12    H    PHE   2           H        PHE   2  -0.236  15.273   3.772
   13    HA   PHE   2           HA       PHE   2  -2.287  13.345   3.675
   14    HB2  PHE   2           1HB      PHE   2  -1.605  15.660   2.394
   15    HB3  PHE   2           2HB      PHE   2  -1.415  14.481   1.092
   16    HD1  PHE   2           HD2      PHE   2  -3.720  15.358   3.870
   17    HD2  PHE   2           HD1      PHE   2  -3.331  13.874  -0.126
   18    HE1  PHE   2           HE2      PHE   2  -6.198  15.283   3.666
   19    HE2  PHE   2           HE1      PHE   2  -5.803  13.792  -0.345
   20    HZ   PHE   2           HZ       PHE   2  -7.237  14.498   1.554
   21    H    HIS   3           H        HIS   3   0.227  13.557   1.156
   22    HA   HIS   3           HA       HIS   3  -0.107  10.933   0.145
   23    HB2  HIS   3           1HB      HIS   3   1.374  13.164  -0.431
   24    HB3  HIS   3           2HB      HIS   3   2.628  12.060   0.133
   25    HD1  HIS   3           HD1      HIS   3   0.579   9.627  -1.007
   26    HD2  HIS   3           HD2      HIS   3   2.549  12.649  -3.097
   27    HE1  HIS   3           HE1      HIS   3   0.756   8.840  -3.408
   28    H    HIS   4           H        HIS   4   1.415  12.029   3.058
   29    HA   HIS   4           HA       HIS   4   3.272   9.898   3.503
   30    HB2  HIS   4           1HB      HIS   4   2.154  12.184   4.836
   31    HB3  HIS   4           2HB      HIS   4   2.172  10.818   5.950
   32    HD1  HIS   4           HD1      HIS   4   4.361  10.361   7.067
   33    HD2  HIS   4           HD2      HIS   4   4.850  12.570   3.565
   34    HE1  HIS   4           HE1      HIS   4   6.824  10.939   6.922
   35    H    ILE   5           H        ILE   5  -0.088   9.897   3.389
   36    HA   ILE   5           HA       ILE   5  -0.279   7.479   5.122
   37    HB   ILE   5           HB       ILE   5  -2.373   9.291   3.950
   38   HG12  ILE   5          1HG1      ILE   5  -0.889  10.584   5.319
   39   HG13  ILE   5          2HG1      ILE   5  -2.363  10.311   6.259
   40   HG21  ILE   5          1HG2      ILE   5  -3.738   8.374   5.865
   41   HG22  ILE   5          2HG2      ILE   5  -2.420   7.248   6.193
   42   HG23  ILE   5          3HG2      ILE   5  -3.299   7.158   4.666
   43   HD11  ILE   5          3HD1      ILE   5  -1.265   8.409   7.388
   44   HD12  ILE   5          1HD1      ILE   5  -0.343   9.895   7.621
   45   HD13  ILE   5          2HD1      ILE   5   0.195   8.699   6.441
   46    H    PHE   6           H        PHE   6  -1.191   8.803   1.960
   47    HA   PHE   6           HA       PHE   6  -2.469   6.553   0.838
   48    HB2  PHE   6           1HB      PHE   6  -1.021   8.938  -0.052
   49    HB3  PHE   6           2HB      PHE   6  -0.770   7.588  -1.156
   50    HD1  PHE   6           HD2      PHE   6  -3.355   6.134  -0.789
   51    HD2  PHE   6           HD1      PHE   6  -2.517  10.317  -1.272
   52    HE1  PHE   6           HE2      PHE   6  -5.612   6.476  -1.747
   53    HE2  PHE   6           HE1      PHE   6  -4.775  10.659  -2.231
   54    HZ   PHE   6           HZ       PHE   6  -6.327   8.738  -2.469
   55    H    ARG   7           H        ARG   7   0.847   7.122   1.690
   56    HA   ARG   7           HA       ARG   7   1.761   4.612   0.415
   57    HB2  ARG   7           1HB      ARG   7   3.819   5.617   0.526
   58    HB3  ARG   7           2HB      ARG   7   2.888   7.079   0.811
   59    HG2  ARG   7           1HG      ARG   7   3.204   6.939   3.176
   60    HG3  ARG   7           2HG      ARG   7   3.812   5.286   3.067
   61    HD2  ARG   7           1HD      ARG   7   5.790   6.562   3.290
   62    HD3  ARG   7           2HD      ARG   7   5.663   6.345   1.533
   63    HE   ARG   7           HE       ARG   7   4.660   8.790   2.945
   64   HH11  ARG   7          1HH1      ARG   7   4.625   7.418  -0.060
   65   HH12  ARG   7          2HH1      ARG   7   5.447   8.703  -0.878
   66   HH21  ARG   7          1HH2      ARG   7   6.348  10.343   2.040
   67   HH22  ARG   7          2HH2      ARG   7   6.423  10.359   0.310
   68    H    GLY   8           H        GLY   8   0.895   6.030   3.525
   69    HA2  GLY   8           1HA      GLY   8   1.939   3.820   5.115
   70    HA3  GLY   8           2HA      GLY   8   0.826   5.072   5.680
   71    H    ILE   9           H        ILE   9  -1.161   4.616   3.585
   72    HA   ILE   9           HA       ILE   9  -2.520   2.301   4.809
   73    HB   ILE   9           HB       ILE   9  -3.188   4.534   2.892
   74   HG12  ILE   9          1HG1      ILE   9  -4.749   5.164   4.616
   75   HG13  ILE   9          2HG1      ILE   9  -4.526   3.631   5.457
   76   HG21  ILE   9          1HG2      ILE   9  -4.296   2.564   1.959
   77   HG22  ILE   9          2HG2      ILE   9  -5.493   3.593   2.746
   78   HG23  ILE   9          3HG2      ILE   9  -4.921   2.131   3.551
   79   HD11  ILE   9          3HD1      ILE   9  -2.262   4.194   6.048
   80   HD12  ILE   9          1HD1      ILE   9  -3.263   5.585   6.463
   81   HD13  ILE   9          2HD1      ILE   9  -2.281   5.611   4.998
   82    H    VAL  10           H        VAL  10  -1.300   3.259   1.594
   83    HA   VAL  10           HA       VAL  10  -2.189   0.928   0.185
   84    HB   VAL  10           HB       VAL  10   0.056   2.923  -0.172
   85   HG11  VAL  10          1HG1      VAL  10   0.723   0.773  -1.207
   86   HG12  VAL  10          2HG1      VAL  10   0.385   2.000  -2.428
   87   HG13  VAL  10          3HG1      VAL  10  -0.801   0.737  -2.094
   88   HG21  VAL  10          3HG2      VAL  10  -2.337   2.491  -1.951
   89   HG22  VAL  10          1HG2      VAL  10  -1.390   3.959  -1.709
   90   HG23  VAL  10          2HG2      VAL  10  -2.502   3.411  -0.455
   91    H    HIS  11           H        HIS  11   0.650   1.545   2.191
   92    HA   HIS  11           HA       HIS  11   2.008  -0.932   1.426
   93    HB2  HIS  11           1HB      HIS  11   2.373   1.335   3.346
   94    HB3  HIS  11           2HB      HIS  11   3.303  -0.140   3.604
   95    HD1  HIS  11           HD1      HIS  11   5.439  -0.272   2.332
   96    HD2  HIS  11           HD2      HIS  11   2.719   2.293   0.488
   97    HE1  HIS  11           HE1      HIS  11   6.638   0.734   0.341
   98    H    VAL  12           H        VAL  12   0.444   0.233   4.420
   99    HA   VAL  12           HA       VAL  12   0.626  -2.027   6.027
  100    HB   VAL  12           HB       VAL  12  -1.597  -1.188   6.930
  101   HG11  VAL  12          1HG1      VAL  12   0.139  -0.074   7.960
  102   HG12  VAL  12          2HG1      VAL  12  -0.612   1.282   7.120
  103   HG13  VAL  12          3HG1      VAL  12   0.812   0.498   6.435
  104   HG21  VAL  12          3HG2      VAL  12  -1.326   0.754   4.636
  105   HG22  VAL  12          1HG2      VAL  12  -2.562   0.790   5.890
  106   HG23  VAL  12          2HG2      VAL  12  -2.524  -0.536   4.728
  107    H    GLY  13           H        GLY  13  -1.664  -1.442   3.364
  108    HA2  GLY  13           1HA      GLY  13  -3.175  -3.865   3.760
  109    HA3  GLY  13           2HA      GLY  13  -3.145  -2.910   2.277
  110    H    LYS  14           H        LYS  14  -0.230  -3.048   2.017
  111    HA   LYS  14           HA       LYS  14  -0.054  -5.567   0.574
  112    HB2  LYS  14           1HB      LYS  14   1.049  -3.148   0.282
  113    HB3  LYS  14           2HB      LYS  14   2.326  -3.884   1.249
  114    HG2  LYS  14           1HG      LYS  14   1.225  -5.391  -1.101
  115    HG3  LYS  14           2HG      LYS  14   2.387  -4.093  -1.378
  116    HD2  LYS  14           1HD      LYS  14   3.358  -5.649   0.800
  117    HD3  LYS  14           2HD      LYS  14   2.898  -6.767  -0.485
  118    HE2  LYS  14           1HE      LYS  14   4.656  -4.323  -0.907
  119    HE3  LYS  14           2HE      LYS  14   5.263  -5.981  -0.725
  120    HZ1  LYS  14           3HZ      LYS  14   3.370  -6.396  -2.509
  121    HZ2  LYS  14           1HZ      LYS  14   4.953  -5.982  -2.960
  122    HZ3  LYS  14           2HZ      LYS  14   3.743  -4.790  -2.916
  123    H    THR  15           H        THR  15   1.220  -4.302   3.627
  124    HA   THR  15           HA       THR  15   3.028  -6.381   4.292
  125    HB   THR  15           HB       THR  15   1.152  -4.689   5.978
  126    HG1  THR  15           HG1      THR  15   2.660  -3.529   4.759
  127   HG21  THR  15          3HG2      THR  15   3.585  -5.488   7.301
  128   HG22  THR  15          1HG2      THR  15   2.702  -6.916   6.764
  129   HG23  THR  15          2HG2      THR  15   1.916  -5.736   7.812
  130    H    ILE  16           H        ILE  16  -0.418  -6.383   4.024
  131    HA   ILE  16           HA       ILE  16  -0.814  -8.764   5.730
  132    HB   ILE  16           HB       ILE  16  -2.645  -7.251   3.836
  133   HG12  ILE  16          1HG1      ILE  16  -2.570  -7.054   6.849
  134   HG13  ILE  16          2HG1      ILE  16  -1.575  -6.007   5.837
  135   HG21  ILE  16          1HG2      ILE  16  -3.058  -9.449   5.848
  136   HG22  ILE  16          2HG2      ILE  16  -3.715  -9.301   4.219
  137   HG23  ILE  16          3HG2      ILE  16  -4.354  -8.299   5.523
  138   HD11  ILE  16          3HD1      ILE  16  -3.778  -5.497   4.565
  139   HD12  ILE  16          1HD1      ILE  16  -3.549  -4.753   6.148
  140   HD13  ILE  16          2HD1      ILE  16  -4.582  -6.173   5.982
  141    H    HIS  17           H        HIS  17  -0.971  -8.002   2.227
  142    HA   HIS  17           HA       HIS  17  -1.730 -10.493   1.234
  143    HB2  HIS  17           1HB      HIS  17   0.285  -8.435   0.376
  144    HB3  HIS  17           2HB      HIS  17  -0.021  -9.862  -0.608
  145    HD1  HIS  17           HD1      HIS  17  -2.407 -10.109  -1.662
  146    HD2  HIS  17           HD2      HIS  17  -1.810  -6.522   0.376
  147    HE1  HIS  17           HE1      HIS  17  -4.330  -8.591  -2.306
  148    H    ARG  18           H        ARG  18   1.630  -9.496   2.004
  149    HA   ARG  18           HA       ARG  18   2.687 -12.155   1.594
  150    HB2  ARG  18           1HB      ARG  18   3.789  -9.762   1.610
  151    HB3  ARG  18           2HB      ARG  18   3.934 -10.046   3.343
  152    HG2  ARG  18           1HG      ARG  18   4.986 -12.317   2.682
  153    HG3  ARG  18           2HG      ARG  18   5.174 -11.606   1.079
  154    HD2  ARG  18           1HD      ARG  18   6.068  -9.709   3.064
  155    HD3  ARG  18           2HD      ARG  18   6.900 -11.259   3.296
  156    HE   ARG  18           HE       ARG  18   7.177 -11.109   0.675
  157   HH11  ARG  18          1HH1      ARG  18   6.126  -8.164   1.265
  158   HH12  ARG  18          2HH1      ARG  18   7.613  -7.305   1.046
  159   HH21  ARG  18          1HH2      ARG  18   9.580 -10.160   1.106
  160   HH22  ARG  18          2HH2      ARG  18   9.569  -8.434   0.955
  161    H    LEU  19           H        LEU  19   1.784 -10.262   4.459
  162    HA   LEU  19           HA       LEU  19   2.462 -12.258   6.397
  163    HB2  LEU  19           1HB      LEU  19   2.076 -10.026   7.122
  164    HB3  LEU  19           2HB      LEU  19   0.547  -9.923   6.250
  165    HG   LEU  19           HG       LEU  19   0.867 -11.989   8.402
  166   HD11  LEU  19          1HD1      LEU  19   0.812  -9.047   8.749
  167   HD12  LEU  19          2HD1      LEU  19   1.386 -10.300   9.849
  168   HD13  LEU  19          3HD1      LEU  19  -0.339  -9.948   9.737
  169   HD21  LEU  19          3HD2      LEU  19  -1.274 -10.689   6.838
  170   HD22  LEU  19          1HD2      LEU  19  -1.639 -10.879   8.554
  171   HD23  LEU  19          2HD2      LEU  19  -1.235 -12.290   7.577
  172    H    VAL  20           H        VAL  20  -0.082 -12.011   4.039
  173    HA   VAL  20           HA       VAL  20  -1.676 -14.092   5.510
  174    HB   VAL  20           HB       VAL  20  -2.448 -11.746   4.420
  175   HG11  VAL  20          1HG1      VAL  20  -2.859 -13.859   2.300
  176   HG12  VAL  20          2HG1      VAL  20  -1.909 -12.384   2.137
  177   HG13  VAL  20          3HG1      VAL  20  -3.661 -12.289   2.308
  178   HG21  VAL  20          3HG2      VAL  20  -4.705 -12.580   4.590
  179   HG22  VAL  20          1HG2      VAL  20  -3.749 -13.375   5.839
  180   HG23  VAL  20          2HG2      VAL  20  -4.160 -14.241   4.360
  181    H    THR  21           H        THR  21  -0.159 -13.439   2.380
  182    HA   THR  21           HA       THR  21  -0.930 -15.981   1.209
  183    HB   THR  21           HB       THR  21   1.355 -14.126   0.479
  184    HG1  THR  21           HG1      THR  21  -0.120 -12.724   0.050
  185   HG21  THR  21          3HG2      THR  21   1.554 -15.922  -0.960
  186   HG22  THR  21          1HG2      THR  21   0.380 -14.954  -1.853
  187   HG23  THR  21          2HG2      THR  21  -0.164 -16.316  -0.874
  188    H    GLY  22           H        GLY  22   1.128 -15.348   3.735
  189    HA2  GLY  22           1HA      GLY  22   2.735 -17.789   3.121
  190    HA3  GLY  22           2HA      GLY  22   3.524 -16.349   3.767
  Start of MODEL    4
    1    H1   PHE   1           1H       PHE   1  -1.531  16.229   3.253
    2    H2   PHE   1           2H       PHE   1  -1.095  17.019   4.692
    3    H3   PHE   1           3H       PHE   1  -2.267  15.790   4.717
    4    HA   PHE   1           HA       PHE   1   0.610  15.409   4.046
    5    HB2  PHE   1           1HB      PHE   1  -1.015  15.474   6.502
    6    HB3  PHE   1           2HB      PHE   1  -0.033  14.016   6.342
    7    HD1  PHE   1           HD1      PHE   1   2.460  14.421   5.543
    8    HD2  PHE   1           HD2      PHE   1  -0.028  17.396   7.392
    9    HE1  PHE   1           HE1      PHE   1   4.479  15.706   6.196
   10    HE2  PHE   1           HE2      PHE   1   1.990  18.679   8.043
   11    HZ   PHE   1           HZ       PHE   1   4.244  17.835   7.446
   12    H    PHE   2           H        PHE   2  -2.284  14.527   2.987
   13    HA   PHE   2           HA       PHE   2  -2.728  11.799   3.412
   14    HB2  PHE   2           1HB      PHE   2  -3.094  13.741   1.174
   15    HB3  PHE   2           2HB      PHE   2  -3.320  12.027   0.809
   16    HD1  PHE   2           HD1      PHE   2  -4.729  10.675   2.492
   17    HD2  PHE   2           HD2      PHE   2  -4.892  14.937   2.116
   18    HE1  PHE   2           HE1      PHE   2  -6.970  10.676   3.572
   19    HE2  PHE   2           HE2      PHE   2  -7.128  14.955   3.193
   20    HZ   PHE   2           HZ       PHE   2  -8.167  12.822   3.921
   21    H    HIS   3           H        HIS   3  -0.193  13.341   1.507
   22    HA   HIS   3           HA       HIS   3   0.727  11.208  -0.073
   23    HB2  HIS   3           1HB      HIS   3   1.753  13.683   1.130
   24    HB3  HIS   3           2HB      HIS   3   3.013  12.483   0.833
   25    HD1  HIS   3           HD1      HIS   3  -0.053  12.793  -1.339
   26    HD2  HIS   3           HD2      HIS   3   4.009  13.719  -1.509
   27    HE1  HIS   3           HE1      HIS   3   0.432  13.457  -3.734
   28    H    HIS   4           H        HIS   4   1.602  11.982   3.293
   29    HA   HIS   4           HA       HIS   4   3.282   9.669   3.667
   30    HB2  HIS   4           1HB      HIS   4   2.340  11.994   5.090
   31    HB3  HIS   4           2HB      HIS   4   2.257  10.573   6.129
   32    HD1  HIS   4           HD1      HIS   4   4.361  10.374   7.449
   33    HD2  HIS   4           HD2      HIS   4   5.101  11.780   3.595
   34    HE1  HIS   4           HE1      HIS   4   6.871  10.658   7.260
   35    H    ILE   5           H        ILE   5  -0.028  10.004   3.427
   36    HA   ILE   5           HA       ILE   5  -0.586   7.652   5.152
   37    HB   ILE   5           HB       ILE   5  -2.408   9.513   3.656
   38   HG12  ILE   5          1HG1      ILE   5  -0.977  10.838   5.047
   39   HG13  ILE   5          2HG1      ILE   5  -2.540  10.732   5.866
   40   HG21  ILE   5          1HG2      ILE   5  -3.396   8.563   6.192
   41   HG22  ILE   5          2HG2      ILE   5  -2.868   7.189   5.223
   42   HG23  ILE   5          3HG2      ILE   5  -4.077   8.302   4.586
   43   HD11  ILE   5          3HD1      ILE   5  -0.626  10.332   7.413
   44   HD12  ILE   5          1HD1      ILE   5  -0.145   8.959   6.415
   45   HD13  ILE   5          2HD1      ILE   5  -1.681   8.924   7.282
   46    H    PHE   6           H        PHE   6  -1.367   8.898   1.905
   47    HA   PHE   6           HA       PHE   6  -2.502   6.568   0.801
   48    HB2  PHE   6           1HB      PHE   6  -1.795   9.031  -0.112
   49    HB3  PHE   6           2HB      PHE   6  -0.521   8.063  -0.855
   50    HD1  PHE   6           HD1      PHE   6  -1.049   6.307  -2.484
   51    HD2  PHE   6           HD2      PHE   6  -4.136   8.723  -0.727
   52    HE1  PHE   6           HE1      PHE   6  -2.647   5.518  -4.208
   53    HE2  PHE   6           HE2      PHE   6  -5.735   7.935  -2.453
   54    HZ   PHE   6           HZ       PHE   6  -4.990   6.332  -4.193
   55    H    ARG   7           H        ARG   7   0.819   7.380   1.546
   56    HA   ARG   7           HA       ARG   7   1.862   4.896   0.346
   57    HB2  ARG   7           1HB      ARG   7   3.856   6.016   0.467
   58    HB3  ARG   7           2HB      ARG   7   2.848   7.423   0.778
   59    HG2  ARG   7           1HG      ARG   7   3.211   7.304   3.123
   60    HG3  ARG   7           2HG      ARG   7   3.827   5.654   3.028
   61    HD2  ARG   7           1HD      ARG   7   5.895   6.598   2.996
   62    HD3  ARG   7           2HD      ARG   7   5.520   7.073   1.328
   63    HE   ARG   7           HE       ARG   7   4.927   8.804   3.700
   64   HH11  ARG   7          1HH1      ARG   7   4.065   8.825   0.566
   65   HH12  ARG   7          2HH1      ARG   7   4.923  10.256   0.102
   66   HH21  ARG   7          1HH2      ARG   7   6.761  10.423   3.037
   67   HH22  ARG   7          2HH2      ARG   7   6.451  11.161   1.501
   68    H    GLY   8           H        GLY   8   0.874   6.244   3.451
   69    HA2  GLY   8           1HA      GLY   8   2.029   4.090   5.047
   70    HA3  GLY   8           2HA      GLY   8   0.821   5.257   5.600
   71    H    ILE   9           H        ILE   9  -1.089   4.700   3.482
   72    HA   ILE   9           HA       ILE   9  -2.319   2.284   4.635
   73    HB   ILE   9           HB       ILE   9  -3.146   4.337   2.561
   74   HG12  ILE   9          1HG1      ILE   9  -4.409   3.977   5.254
   75   HG13  ILE   9          2HG1      ILE   9  -2.849   4.795   5.160
   76   HG21  ILE   9          1HG2      ILE   9  -4.190   1.770   2.894
   77   HG22  ILE   9          2HG2      ILE   9  -5.003   3.131   2.119
   78   HG23  ILE   9          3HG2      ILE   9  -5.277   2.799   3.828
   79   HD11  ILE   9          3HD1      ILE   9  -5.316   5.564   3.574
   80   HD12  ILE   9          1HD1      ILE   9  -3.762   6.396   3.540
   81   HD13  ILE   9          2HD1      ILE   9  -4.734   6.401   5.012
   82    H    VAL  10           H        VAL  10  -1.110   3.367   1.457
   83    HA   VAL  10           HA       VAL  10  -1.862   1.073  -0.052
   84    HB   VAL  10           HB       VAL  10   0.338   3.134  -0.226
   85   HG11  VAL  10          1HG1      VAL  10   1.482   1.659  -1.525
   86   HG12  VAL  10          2HG1      VAL  10   0.240   2.005  -2.728
   87   HG13  VAL  10          3HG1      VAL  10   0.092   0.587  -1.691
   88   HG21  VAL  10          3HG2      VAL  10  -1.712   2.731  -2.338
   89   HG22  VAL  10          1HG2      VAL  10  -1.098   4.229  -1.640
   90   HG23  VAL  10          2HG2      VAL  10  -2.316   3.289  -0.779
   91    H    HIS  11           H        HIS  11   0.944   1.654   2.039
   92    HA   HIS  11           HA       HIS  11   2.325  -0.798   1.266
   93    HB2  HIS  11           1HB      HIS  11   2.572   1.249   3.475
   94    HB3  HIS  11           2HB      HIS  11   3.644  -0.147   3.374
   95    HD1  HIS  11           HD1      HIS  11   5.797   0.745   2.463
   96    HD2  HIS  11           HD2      HIS  11   2.507   2.241   0.387
   97    HE1  HIS  11           HE1      HIS  11   6.724   2.099   0.534
   98    H    VAL  12           H        VAL  12   0.635   0.238   4.234
   99    HA   VAL  12           HA       VAL  12   0.741  -2.134   5.718
  100    HB   VAL  12           HB       VAL  12  -1.414  -1.238   6.686
  101   HG11  VAL  12          1HG1      VAL  12  -0.353   1.203   6.933
  102   HG12  VAL  12          2HG1      VAL  12   1.038   0.393   6.213
  103   HG13  VAL  12          3HG1      VAL  12   0.360  -0.199   7.730
  104   HG21  VAL  12          3HG2      VAL  12  -2.264  -0.488   4.436
  105   HG22  VAL  12          1HG2      VAL  12  -1.124   0.853   4.532
  106   HG23  VAL  12          2HG2      VAL  12  -2.420   0.712   5.720
  107    H    GLY  13           H        GLY  13  -1.223  -1.359   2.907
  108    HA2  GLY  13           1HA      GLY  13  -2.986  -3.666   3.222
  109    HA3  GLY  13           2HA      GLY  13  -2.905  -2.609   1.812
  110    H    LYS  14           H        LYS  14   0.057  -2.959   1.615
  111    HA   LYS  14           HA       LYS  14  -0.008  -5.440   0.037
  112    HB2  LYS  14           1HB      LYS  14   1.087  -3.090  -0.439
  113    HB3  LYS  14           2HB      LYS  14   2.416  -3.734   0.526
  114    HG2  LYS  14           1HG      LYS  14   1.398  -5.618  -1.489
  115    HG3  LYS  14           2HG      LYS  14   2.097  -4.150  -2.176
  116    HD2  LYS  14           1HD      LYS  14   4.070  -5.260  -1.922
  117    HD3  LYS  14           2HD      LYS  14   3.930  -4.732  -0.243
  118    HE2  LYS  14           1HE      LYS  14   3.209  -6.830   0.498
  119    HE3  LYS  14           2HE      LYS  14   2.601  -7.295  -1.103
  120    HZ1  LYS  14           3HZ      LYS  14   4.618  -8.403  -0.991
  121    HZ2  LYS  14           1HZ      LYS  14   5.393  -7.143  -0.160
  122    HZ3  LYS  14           2HZ      LYS  14   5.040  -6.979  -1.814
  123    H    THR  15           H        THR  15   1.774  -4.179   2.846
  124    HA   THR  15           HA       THR  15   3.413  -6.459   3.319
  125    HB   THR  15           HB       THR  15   2.135  -4.641   5.385
  126    HG1  THR  15           HG1      THR  15   4.575  -4.055   4.170
  127   HG21  THR  15          3HG2      THR  15   4.963  -5.258   5.646
  128   HG22  THR  15          1HG2      THR  15   3.989  -6.727   5.584
  129   HG23  THR  15          2HG2      THR  15   3.658  -5.499   6.806
  130    H    ILE  16           H        ILE  16   0.014  -6.019   3.590
  131    HA   ILE  16           HA       ILE  16  -0.382  -8.167   5.580
  132    HB   ILE  16           HB       ILE  16  -1.993  -6.134   4.091
  133   HG12  ILE  16          1HG1      ILE  16  -2.786  -5.597   6.277
  134   HG13  ILE  16          2HG1      ILE  16  -2.269  -7.153   6.925
  135   HG21  ILE  16          1HG2      ILE  16  -3.159  -8.693   5.227
  136   HG22  ILE  16          2HG2      ILE  16  -3.263  -8.136   3.557
  137   HG23  ILE  16          3HG2      ILE  16  -4.111  -7.260   4.833
  138   HD11  ILE  16          3HD1      ILE  16  -0.193  -5.383   5.697
  139   HD12  ILE  16          1HD1      ILE  16  -0.043  -6.531   7.026
  140   HD13  ILE  16          2HD1      ILE  16  -0.804  -4.963   7.296
  141    H    HIS  17           H        HIS  17  -1.042  -7.690   2.083
  142    HA   HIS  17           HA       HIS  17  -2.200 -10.146   1.469
  143    HB2  HIS  17           1HB      HIS  17  -0.135  -8.423   0.128
  144    HB3  HIS  17           2HB      HIS  17  -0.725  -9.887  -0.651
  145    HD1  HIS  17           HD1      HIS  17  -2.023  -8.590  -2.497
  146    HD2  HIS  17           HD2      HIS  17  -3.235  -7.650   1.379
  147    HE1  HIS  17           HE1      HIS  17  -4.180  -7.282  -2.718
  148    H    ARG  18           H        ARG  18   1.299  -9.473   1.818
  149    HA   ARG  18           HA       ARG  18   2.053 -12.247   1.448
  150    HB2  ARG  18           1HB      ARG  18   3.371  -9.983   1.190
  151    HB3  ARG  18           2HB      ARG  18   3.675 -10.178   2.916
  152    HG2  ARG  18           1HG      ARG  18   4.190 -12.704   1.833
  153    HG3  ARG  18           2HG      ARG  18   4.887 -11.576   0.670
  154    HD2  ARG  18           1HD      ARG  18   6.529 -10.921   2.116
  155    HD3  ARG  18           2HD      ARG  18   5.419 -10.895   3.501
  156    HE   ARG  18           HE       ARG  18   5.676 -13.597   2.798
  157   HH11  ARG  18          1HH1      ARG  18   7.418 -11.008   4.221
  158   HH12  ARG  18          2HH1      ARG  18   8.698 -12.010   4.818
  159   HH21  ARG  18          1HH2      ARG  18   7.459 -14.909   3.373
  160   HH22  ARG  18          2HH2      ARG  18   8.721 -14.219   4.339
  161    H    LEU  19           H        LEU  19   1.653 -10.115   4.257
  162    HA   LEU  19           HA       LEU  19   2.324 -12.089   6.239
  163    HB2  LEU  19           1HB      LEU  19   0.939  -9.440   6.072
  164    HB3  LEU  19           2HB      LEU  19   0.707 -10.387   7.543
  165    HG   LEU  19           HG       LEU  19   2.683  -8.777   7.575
  166   HD11  LEU  19          1HD1      LEU  19   3.151 -11.749   7.957
  167   HD12  LEU  19          2HD1      LEU  19   2.533 -10.621   9.162
  168   HD13  LEU  19          3HD1      LEU  19   4.199 -10.486   8.601
  169   HD21  LEU  19          3HD2      LEU  19   4.158 -10.843   5.981
  170   HD22  LEU  19          1HD2      LEU  19   4.525  -9.132   6.203
  171   HD23  LEU  19          2HD2      LEU  19   3.230  -9.623   5.112
  172    H    VAL  20           H        VAL  20  -0.384 -11.619   4.153
  173    HA   VAL  20           HA       VAL  20  -2.116 -13.323   5.921
  174    HB   VAL  20           HB       VAL  20  -2.613 -10.973   4.653
  175   HG11  VAL  20          1HG1      VAL  20  -3.586 -13.194   2.850
  176   HG12  VAL  20          2HG1      VAL  20  -2.463 -11.909   2.418
  177   HG13  VAL  20          3HG1      VAL  20  -4.151 -11.527   2.759
  178   HG21  VAL  20          3HG2      VAL  20  -4.598 -13.201   5.185
  179   HG22  VAL  20          1HG2      VAL  20  -4.996 -11.490   5.035
  180   HG23  VAL  20          2HG2      VAL  20  -4.003 -12.049   6.379
  181    H    THR  21           H        THR  21  -0.790 -13.163   2.646
  182    HA   THR  21           HA       THR  21  -2.049 -15.562   1.672
  183    HB   THR  21           HB       THR  21   0.489 -14.079   0.920
  184    HG1  THR  21           HG1      THR  21  -1.041 -12.741   0.356
  185   HG21  THR  21          3HG2      THR  21   0.174 -15.234  -1.292
  186   HG22  THR  21          1HG2      THR  21  -1.048 -16.250  -0.528
  187   HG23  THR  21          2HG2      THR  21   0.627 -16.320   0.022
  188    H    GLY  22           H        GLY  22   0.280 -15.170   4.083
  189    HA2  GLY  22           1HA      GLY  22   1.942 -17.480   3.484
  190    HA3  GLY  22           2HA      GLY  22   1.896 -16.611   5.019
  Start of MODEL    5
    1    H1   PHE   1           1H       PHE   1  -0.578  16.158   5.101
    2    H2   PHE   1           2H       PHE   1   0.950  16.417   4.405
    3    H3   PHE   1           3H       PHE   1   0.765  16.457   6.093
    4    HA   PHE   1           HA       PHE   1   1.702  14.324   4.883
    5    HB2  PHE   1           1HB      PHE   1   1.060  13.194   6.917
    6    HB3  PHE   1           2HB      PHE   1   1.269  14.897   7.323
    7    HD1  PHE   1           HD2      PHE   1  -0.923  16.386   6.992
    8    HD2  PHE   1           HD1      PHE   1  -0.897  12.134   7.611
    9    HE1  PHE   1           HE2      PHE   1  -3.269  16.487   7.787
   10    HE2  PHE   1           HE1      PHE   1  -3.244  12.236   8.405
   11    HZ   PHE   1           HZ       PHE   1  -4.430  14.412   8.493
   12    H    PHE   2           H        PHE   2  -0.693  15.290   3.288
   13    HA   PHE   2           HA       PHE   2  -2.827  13.411   3.365
   14    HB2  PHE   2           1HB      PHE   2  -2.368  15.661   2.064
   15    HB3  PHE   2           2HB      PHE   2  -1.796  14.571   0.797
   16    HD1  PHE   2           HD1      PHE   2  -4.626  15.082   3.148
   17    HD2  PHE   2           HD2      PHE   2  -3.367  13.610  -0.672
   18    HE1  PHE   2           HE1      PHE   2  -6.997  14.624   2.551
   19    HE2  PHE   2           HE2      PHE   2  -5.730  13.149  -1.281
   20    HZ   PHE   2           HZ       PHE   2  -7.545  13.656   0.333
   21    H    HIS   3           H        HIS   3   0.022  13.438   1.209
   22    HA   HIS   3           HA       HIS   3  -0.503  10.710   0.284
   23    HB2  HIS   3           1HB      HIS   3   0.903  12.995  -0.554
   24    HB3  HIS   3           2HB      HIS   3   2.145  11.781  -0.251
   25    HD1  HIS   3           HD1      HIS   3   2.357  11.852  -2.971
   26    HD2  HIS   3           HD2      HIS   3  -1.128  10.160  -1.433
   27    HE1  HIS   3           HE1      HIS   3   1.319  10.513  -4.854
   28    H    HIS   4           H        HIS   4   1.201  12.153   2.919
   29    HA   HIS   4           HA       HIS   4   3.264  10.199   3.310
   30    HB2  HIS   4           1HB      HIS   4   2.103  12.506   4.607
   31    HB3  HIS   4           2HB      HIS   4   2.441  11.244   5.792
   32    HD1  HIS   4           HD1      HIS   4   4.709  11.575   6.760
   33    HD2  HIS   4           HD2      HIS   4   4.621  12.577   2.715
   34    HE1  HIS   4           HE1      HIS   4   7.067  12.258   6.140
   35    H    ILE   5           H        ILE   5  -0.087  10.005   3.645
   36    HA   ILE   5           HA       ILE   5   0.127   7.684   5.510
   37    HB   ILE   5           HB       ILE   5  -2.204   9.368   4.630
   38   HG12  ILE   5          1HG1      ILE   5  -0.576  10.748   5.727
   39   HG13  ILE   5          2HG1      ILE   5  -1.880  10.454   6.884
   40   HG21  ILE   5          1HG2      ILE   5  -2.071   6.928   6.064
   41   HG22  ILE   5          2HG2      ILE   5  -3.483   7.964   5.860
   42   HG23  ILE   5          3HG2      ILE   5  -2.424   8.181   7.254
   43   HD11  ILE   5          3HD1      ILE   5   0.746   8.957   6.717
   44   HD12  ILE   5          1HD1      ILE   5  -0.550   8.600   7.856
   45   HD13  ILE   5          2HD1      ILE   5   0.311  10.137   7.954
   46    H    PHE   6           H        PHE   6  -1.497   8.818   2.560
   47    HA   PHE   6           HA       PHE   6  -2.714   6.401   1.739
   48    HB2  PHE   6           1HB      PHE   6  -2.045   8.942   0.647
   49    HB3  PHE   6           2HB      PHE   6  -1.395   7.744  -0.472
   50    HD1  PHE   6           HD2      PHE   6  -3.037   5.670  -0.904
   51    HD2  PHE   6           HD1      PHE   6  -4.261   9.592   0.345
   52    HE1  PHE   6           HE2      PHE   6  -5.312   5.239  -1.784
   53    HE2  PHE   6           HE1      PHE   6  -6.538   9.162  -0.537
   54    HZ   PHE   6           HZ       PHE   6  -7.065   6.984  -1.602
   55    H    ARG   7           H        ARG   7   0.607   7.412   1.873
   56    HA   ARG   7           HA       ARG   7   1.628   5.066   0.414
   57    HB2  ARG   7           1HB      ARG   7   2.557   7.653   1.505
   58    HB3  ARG   7           2HB      ARG   7   3.727   6.346   1.623
   59    HG2  ARG   7           1HG      ARG   7   3.167   5.869  -0.853
   60    HG3  ARG   7           2HG      ARG   7   2.429   7.471  -0.850
   61    HD2  ARG   7           1HD      ARG   7   5.308   6.884  -0.061
   62    HD3  ARG   7           2HD      ARG   7   4.789   7.602  -1.600
   63    HE   ARG   7           HE       ARG   7   3.647   9.373  -0.057
   64   HH11  ARG   7          1HH1      ARG   7   5.123   7.829   2.256
   65   HH12  ARG   7          2HH1      ARG   7   6.390   8.963   2.587
   66   HH21  ARG   7          1HH2      ARG   7   5.894  10.770  -0.329
   67   HH22  ARG   7          2HH2      ARG   7   6.826  10.628   1.124
   68    H    GLY   8           H        GLY   8   1.159   6.293   3.716
   69    HA2  GLY   8           1HA      GLY   8   2.700   4.153   4.970
   70    HA3  GLY   8           2HA      GLY   8   1.596   5.260   5.797
   71    H    ILE   9           H        ILE   9  -0.669   4.660   4.044
   72    HA   ILE   9           HA       ILE   9  -1.591   2.204   5.380
   73    HB   ILE   9           HB       ILE   9  -2.913   4.116   3.428
   74   HG12  ILE   9          1HG1      ILE   9  -3.386   4.064   6.395
   75   HG13  ILE   9          2HG1      ILE   9  -1.983   4.923   5.758
   76   HG21  ILE   9          1HG2      ILE   9  -3.820   1.667   4.013
   77   HG22  ILE   9          2HG2      ILE   9  -4.910   3.042   3.839
   78   HG23  ILE   9          3HG2      ILE   9  -4.414   2.508   5.446
   79   HD11  ILE   9          3HD1      ILE   9  -3.306   6.430   4.527
   80   HD12  ILE   9          1HD1      ILE   9  -4.206   6.244   6.032
   81   HD13  ILE   9          2HD1      ILE   9  -4.720   5.377   4.586
   82    H    VAL  10           H        VAL  10  -0.933   3.321   2.061
   83    HA   VAL  10           HA       VAL  10  -1.892   1.017   0.681
   84    HB   VAL  10           HB       VAL  10   0.155   3.167   0.175
   85   HG11  VAL  10          1HG1      VAL  10  -0.514   0.871  -1.696
   86   HG12  VAL  10          2HG1      VAL  10   1.048   1.150  -0.926
   87   HG13  VAL  10          3HG1      VAL  10   0.440   2.292  -2.124
   88   HG21  VAL  10          3HG2      VAL  10  -2.146   2.538  -1.617
   89   HG22  VAL  10          1HG2      VAL  10  -1.503   4.105  -1.124
   90   HG23  VAL  10          2HG2      VAL  10  -2.526   3.184  -0.021
   91    H    HIS  11           H        HIS  11   1.319   1.713   2.088
   92    HA   HIS  11           HA       HIS  11   2.546  -0.738   1.178
   93    HB2  HIS  11           1HB      HIS  11   3.170   1.156   3.460
   94    HB3  HIS  11           2HB      HIS  11   4.267  -0.082   2.851
   95    HD1  HIS  11           HD1      HIS  11   4.669   3.130   2.690
   96    HD2  HIS  11           HD2      HIS  11   3.531   0.581  -0.396
   97    HE1  HIS  11           HE1      HIS  11   5.282   4.306   0.531
   98    H    VAL  12           H        VAL  12   1.387   0.239   4.420
   99    HA   VAL  12           HA       VAL  12   1.766  -2.156   5.807
  100    HB   VAL  12           HB       VAL  12  -0.226  -1.344   7.136
  101   HG11  VAL  12          1HG1      VAL  12   1.638  -0.276   7.942
  102   HG12  VAL  12          2HG1      VAL  12   0.825   1.128   7.252
  103   HG13  VAL  12          3HG1      VAL  12   2.107   0.319   6.350
  104   HG21  VAL  12          3HG2      VAL  12  -0.335   0.761   4.978
  105   HG22  VAL  12          1HG2      VAL  12  -1.348   0.682   6.418
  106   HG23  VAL  12          2HG2      VAL  12  -1.505  -0.546   5.162
  107    H    GLY  13           H        GLY  13  -0.869  -1.283   3.584
  108    HA2  GLY  13           1HA      GLY  13  -2.511  -3.569   3.996
  109    HA3  GLY  13           2HA      GLY  13  -2.452  -2.635   2.499
  110    H    LYS  14           H        LYS  14   0.446  -3.079   2.168
  111    HA   LYS  14           HA       LYS  14   0.321  -5.570   0.687
  112    HB2  LYS  14           1HB      LYS  14   1.664  -3.607   0.019
  113    HB3  LYS  14           2HB      LYS  14   2.626  -3.763   1.490
  114    HG2  LYS  14           1HG      LYS  14   2.526  -6.290   0.080
  115    HG3  LYS  14           2HG      LYS  14   3.113  -5.013  -0.986
  116    HD2  LYS  14           1HD      LYS  14   4.185  -5.452   1.812
  117    HD3  LYS  14           2HD      LYS  14   4.911  -6.175   0.377
  118    HE2  LYS  14           1HE      LYS  14   4.508  -3.192   0.814
  119    HE3  LYS  14           2HE      LYS  14   6.054  -4.053   0.943
  120    HZ1  LYS  14           3HZ      LYS  14   6.113  -3.482  -1.253
  121    HZ2  LYS  14           1HZ      LYS  14   4.427  -3.507  -1.433
  122    HZ3  LYS  14           2HZ      LYS  14   5.296  -4.966  -1.382
  123    H    THR  15           H        THR  15   1.706  -4.551   3.780
  124    HA   THR  15           HA       THR  15   3.256  -6.800   4.450
  125    HB   THR  15           HB       THR  15   1.399  -5.071   6.122
  126    HG1  THR  15           HG1      THR  15   4.181  -4.969   5.585
  127   HG21  THR  15          3HG2      THR  15   2.377  -7.409   6.996
  128   HG22  THR  15          1HG2      THR  15   2.258  -5.996   8.043
  129   HG23  THR  15          2HG2      THR  15   3.797  -6.403   7.282
  130    H    ILE  16           H        ILE  16  -0.187  -6.473   4.093
  131    HA   ILE  16           HA       ILE  16  -0.819  -8.970   5.542
  132    HB   ILE  16           HB       ILE  16  -2.382  -6.966   3.886
  133   HG12  ILE  16          1HG1      ILE  16  -3.440  -6.930   6.382
  134   HG13  ILE  16          2HG1      ILE  16  -1.779  -7.384   6.766
  135   HG21  ILE  16          1HG2      ILE  16  -3.084  -9.667   4.822
  136   HG22  ILE  16          2HG2      ILE  16  -3.872  -8.656   3.610
  137   HG23  ILE  16          3HG2      ILE  16  -4.229  -8.421   5.321
  138   HD11  ILE  16          3HD1      ILE  16  -1.787  -5.284   4.785
  139   HD12  ILE  16          1HD1      ILE  16  -1.066  -5.282   6.394
  140   HD13  ILE  16          2HD1      ILE  16  -2.748  -4.796   6.181
  141    H    HIS  17           H        HIS  17  -0.603  -7.853   2.159
  142    HA   HIS  17           HA       HIS  17  -1.656 -10.034   0.791
  143    HB2  HIS  17           1HB      HIS  17   0.740  -8.276   0.428
  144    HB3  HIS  17           2HB      HIS  17   0.425  -9.563  -0.731
  145    HD1  HIS  17           HD1      HIS  17  -1.433  -9.196  -2.419
  146    HD2  HIS  17           HD2      HIS  17  -1.411  -6.294   0.574
  147    HE1  HIS  17           HE1      HIS  17  -3.110  -7.431  -3.120
  148    H    ARG  18           H        ARG  18   1.589  -9.805   2.274
  149    HA   ARG  18           HA       ARG  18   2.306 -12.517   1.520
  150    HB2  ARG  18           1HB      ARG  18   3.753 -10.405   2.118
  151    HB3  ARG  18           2HB      ARG  18   3.522 -10.943   3.783
  152    HG2  ARG  18           1HG      ARG  18   4.451 -13.152   3.205
  153    HG3  ARG  18           2HG      ARG  18   4.679 -12.623   1.538
  154    HD2  ARG  18           1HD      ARG  18   6.694 -11.767   2.115
  155    HD3  ARG  18           2HD      ARG  18   5.882 -10.661   3.241
  156    HE   ARG  18           HE       ARG  18   6.497 -13.478   4.039
  157   HH11  ARG  18          1HH1      ARG  18   8.071 -10.611   4.232
  158   HH12  ARG  18          2HH1      ARG  18   8.039 -10.463   5.956
  159   HH21  ARG  18          1HH2      ARG  18   5.793 -13.066   6.403
  160   HH22  ARG  18          2HH2      ARG  18   6.748 -11.852   7.187
  161    H    LEU  19           H        LEU  19   1.275 -10.940   4.538
  162    HA   LEU  19           HA       LEU  19   1.204 -13.334   6.120
  163    HB2  LEU  19           1HB      LEU  19  -0.030 -10.586   6.190
  164    HB3  LEU  19           2HB      LEU  19  -0.539 -11.796   7.368
  165    HG   LEU  19           HG       LEU  19   1.660 -12.012   8.253
  166   HD11  LEU  19          1HD1      LEU  19   3.595 -10.798   7.178
  167   HD12  LEU  19          2HD1      LEU  19   2.536 -10.440   5.814
  168   HD13  LEU  19          3HD1      LEU  19   2.938 -12.112   6.202
  169   HD21  LEU  19          3HD2      LEU  19   2.330  -9.529   8.595
  170   HD22  LEU  19          1HD2      LEU  19   0.734 -10.031   9.150
  171   HD23  LEU  19          2HD2      LEU  19   0.902  -9.159   7.627
  172    H    VAL  20           H        VAL  20  -0.753 -12.121   3.537
  173    HA   VAL  20           HA       VAL  20  -3.026 -13.917   4.338
  174    HB   VAL  20           HB       VAL  20  -2.987 -11.330   3.522
  175   HG11  VAL  20          1HG1      VAL  20  -2.213 -11.838   1.275
  176   HG12  VAL  20          2HG1      VAL  20  -3.895 -11.318   1.195
  177   HG13  VAL  20          3HG1      VAL  20  -3.494 -13.030   1.075
  178   HG21  VAL  20          3HG2      VAL  20  -5.333 -11.517   3.401
  179   HG22  VAL  20          1HG2      VAL  20  -4.863 -12.879   4.419
  180   HG23  VAL  20          2HG2      VAL  20  -5.256 -13.142   2.720
  181    H    THR  21           H        THR  21  -0.750 -13.318   1.702
  182    HA   THR  21           HA       THR  21  -1.813 -15.344  -0.066
  183    HB   THR  21           HB       THR  21   0.901 -14.003   0.184
  184    HG1  THR  21           HG1      THR  21  -0.392 -12.432  -0.403
  185   HG21  THR  21          3HG2      THR  21  -0.126 -16.083  -1.620
  186   HG22  THR  21          1HG2      THR  21   1.536 -15.581  -1.311
  187   HG23  THR  21          2HG2      THR  21   0.544 -14.684  -2.460
  188    H    GLY  22           H        GLY  22  -0.299 -15.654   2.907
  189    HA2  GLY  22           1HA      GLY  22   0.556 -17.545   4.011
  190    HA3  GLY  22           2HA      GLY  22   0.072 -18.499   2.608
  Start of MODEL    6
    1    H1   PHE   1           1H       PHE   1   1.580  13.472   5.803
    2    H2   PHE   1           2H       PHE   1   0.189  13.770   6.731
    3    H3   PHE   1           3H       PHE   1   1.366  14.981   6.545
    4    HA   PHE   1           HA       PHE   1  -0.509  15.481   5.121
    5    HB2  PHE   1           1HB      PHE   1   2.048  14.478   3.838
    6    HB3  PHE   1           2HB      PHE   1   0.865  15.471   2.986
    7    HD1  PHE   1           HD1      PHE   1   0.002  17.524   4.660
    8    HD2  PHE   1           HD2      PHE   1   3.882  15.681   4.608
    9    HE1  PHE   1           HE1      PHE   1   0.985  19.564   5.671
   10    HE2  PHE   1           HE2      PHE   1   4.865  17.720   5.620
   11    HZ   PHE   1           HZ       PHE   1   3.416  19.662   6.151
   12    H    PHE   2           H        PHE   2  -1.954  14.767   3.453
   13    HA   PHE   2           HA       PHE   2  -3.026  12.222   3.513
   14    HB2  PHE   2           1HB      PHE   2  -2.767  14.342   1.400
   15    HB3  PHE   2           2HB      PHE   2  -3.569  12.819   1.011
   16    HD1  PHE   2           HD1      PHE   2  -5.335  11.980   2.682
   17    HD2  PHE   2           HD2      PHE   2  -4.012  16.047   2.449
   18    HE1  PHE   2           HE1      PHE   2  -7.417  12.715   3.825
   19    HE2  PHE   2           HE2      PHE   2  -6.086  16.795   3.590
   20    HZ   PHE   2           HZ       PHE   2  -7.789  15.127   4.279
   21    H    HIS   3           H        HIS   3  -0.882  13.235   0.846
   22    HA   HIS   3           HA       HIS   3  -0.340  10.798  -0.339
   23    HB2  HIS   3           1HB      HIS   3   0.491  13.188  -0.836
   24    HB3  HIS   3           2HB      HIS   3   1.812  12.827   0.276
   25    HD1  HIS   3           HD1      HIS   3   3.685  11.332  -0.564
   26    HD2  HIS   3           HD2      HIS   3   0.450  11.466  -3.192
   27    HE1  HIS   3           HE1      HIS   3   4.428  10.150  -2.678
   28    H    HIS   4           H        HIS   4   1.305  12.136   2.522
   29    HA   HIS   4           HA       HIS   4   3.205  10.084   2.932
   30    HB2  HIS   4           1HB      HIS   4   1.926  12.265   4.407
   31    HB3  HIS   4           2HB      HIS   4   2.449  10.941   5.448
   32    HD1  HIS   4           HD1      HIS   4   4.302  12.726   6.303
   33    HD2  HIS   4           HD2      HIS   4   4.730  11.398   2.374
   34    HE1  HIS   4           HE1      HIS   4   6.661  13.322   5.597
   35    H    ILE   5           H        ILE   5  -0.178   9.991   3.244
   36    HA   ILE   5           HA       ILE   5  -0.074   7.586   4.983
   37    HB   ILE   5           HB       ILE   5  -2.347   9.238   3.912
   38   HG12  ILE   5          1HG1      ILE   5  -0.895  10.646   5.170
   39   HG13  ILE   5          2HG1      ILE   5  -2.249  10.256   6.237
   40   HG21  ILE   5          1HG2      ILE   5  -3.749   7.925   5.144
   41   HG22  ILE   5          2HG2      ILE   5  -2.625   7.867   6.502
   42   HG23  ILE   5          3HG2      ILE   5  -2.421   6.763   5.142
   43   HD11  ILE   5          3HD1      ILE   5   0.468   8.917   6.188
   44   HD12  ILE   5          1HD1      ILE   5  -0.876   8.422   7.218
   45   HD13  ILE   5          2HD1      ILE   5  -0.130  10.005   7.445
   46    H    PHE   6           H        PHE   6  -1.119   8.715   1.799
   47    HA   PHE   6           HA       PHE   6  -2.394   6.388   0.825
   48    HB2  PHE   6           1HB      PHE   6  -0.933   8.720  -0.228
   49    HB3  PHE   6           2HB      PHE   6  -0.795   7.305  -1.273
   50    HD1  PHE   6           HD1      PHE   6  -2.782   6.285  -2.293
   51    HD2  PHE   6           HD2      PHE   6  -3.086   9.787   0.175
   52    HE1  PHE   6           HE1      PHE   6  -5.085   6.672  -3.126
   53    HE2  PHE   6           HE2      PHE   6  -5.389  10.175  -0.658
   54    HZ   PHE   6           HZ       PHE   6  -6.389   8.618  -2.308
   55    H    ARG   7           H        ARG   7   0.918   7.093   1.584
   56    HA   ARG   7           HA       ARG   7   1.957   4.587   0.439
   57    HB2  ARG   7           1HB      ARG   7   2.922   7.139   1.611
   58    HB3  ARG   7           2HB      ARG   7   3.932   5.735   1.925
   59    HG2  ARG   7           1HG      ARG   7   3.042   5.787  -0.838
   60    HG3  ARG   7           2HG      ARG   7   3.903   7.267  -0.416
   61    HD2  ARG   7           1HD      ARG   7   5.389   5.184   0.771
   62    HD3  ARG   7           2HD      ARG   7   4.989   4.620  -0.864
   63    HE   ARG   7           HE       ARG   7   6.105   6.561  -1.775
   64   HH11  ARG   7          1HH1      ARG   7   5.486   7.172   1.498
   65   HH12  ARG   7          2HH1      ARG   7   6.963   8.032   1.786
   66   HH21  ARG   7          1HH2      ARG   7   8.282   7.343  -1.348
   67   HH22  ARG   7          2HH2      ARG   7   8.546   8.130   0.171
   68    H    GLY   8           H        GLY   8   0.995   6.058   3.526
   69    HA2  GLY   8           1HA      GLY   8   2.075   3.906   5.168
   70    HA3  GLY   8           2HA      GLY   8   0.922   5.138   5.698
   71    H    ILE   9           H        ILE   9  -1.019   4.578   3.579
   72    HA   ILE   9           HA       ILE   9  -2.343   2.266   4.840
   73    HB   ILE   9           HB       ILE   9  -3.095   4.232   2.655
   74   HG12  ILE   9          1HG1      ILE   9  -4.376   4.070   5.360
   75   HG13  ILE   9          2HG1      ILE   9  -2.791   4.832   5.225
   76   HG21  ILE   9          1HG2      ILE   9  -5.409   3.104   3.756
   77   HG22  ILE   9          2HG2      ILE   9  -4.327   1.736   3.499
   78   HG23  ILE   9          3HG2      ILE   9  -4.754   2.788   2.150
   79   HD11  ILE   9          3HD1      ILE   9  -4.809   6.384   4.961
   80   HD12  ILE   9          1HD1      ILE   9  -5.094   5.579   3.419
   81   HD13  ILE   9          2HD1      ILE   9  -3.594   6.466   3.685
   82    H    VAL  10           H        VAL  10  -1.107   3.161   1.612
   83    HA   VAL  10           HA       VAL  10  -1.894   0.768   0.257
   84    HB   VAL  10           HB       VAL  10   0.305   2.810  -0.102
   85   HG11  VAL  10          1HG1      VAL  10   1.039   0.608  -1.026
   86   HG12  VAL  10          2HG1      VAL  10   0.789   1.823  -2.280
   87   HG13  VAL  10          3HG1      VAL  10  -0.422   0.570  -2.012
   88   HG21  VAL  10          3HG2      VAL  10  -1.952   2.262  -2.001
   89   HG22  VAL  10          1HG2      VAL  10  -1.134   3.784  -1.652
   90   HG23  VAL  10          2HG2      VAL  10  -2.298   3.126  -0.503
   91    H    HIS  11           H        HIS  11   0.880   1.512   2.314
   92    HA   HIS  11           HA       HIS  11   2.322  -0.947   1.672
   93    HB2  HIS  11           1HB      HIS  11   2.533   1.250   3.737
   94    HB3  HIS  11           2HB      HIS  11   3.630  -0.133   3.740
   95    HD1  HIS  11           HD1      HIS  11   5.768   0.807   2.808
   96    HD2  HIS  11           HD2      HIS  11   2.455   1.925   0.538
   97    HE1  HIS  11           HE1      HIS  11   6.670   2.002   0.766
   98    H    VAL  12           H        VAL  12   0.609   0.233   4.579
   99    HA   VAL  12           HA       VAL  12   0.742  -2.052   6.189
  100    HB   VAL  12           HB       VAL  12  -1.449  -1.157   7.084
  101   HG11  VAL  12          1HG1      VAL  12   0.354  -0.081   8.076
  102   HG12  VAL  12          2HG1      VAL  12  -0.464   1.283   7.311
  103   HG13  VAL  12          3HG1      VAL  12   0.945   0.554   6.540
  104   HG21  VAL  12          3HG2      VAL  12  -2.373  -0.512   4.880
  105   HG22  VAL  12          1HG2      VAL  12  -1.161   0.762   4.775
  106   HG23  VAL  12          2HG2      VAL  12  -2.394   0.823   6.031
  107    H    GLY  13           H        GLY  13  -1.486  -1.355   3.501
  108    HA2  GLY  13           1HA      GLY  13  -3.105  -3.710   3.822
  109    HA3  GLY  13           2HA      GLY  13  -2.968  -2.759   2.340
  110    H    LYS  14           H        LYS  14   0.011  -3.084   2.386
  111    HA   LYS  14           HA       LYS  14   0.117  -5.585   0.875
  112    HB2  LYS  14           1HB      LYS  14   1.363  -3.692   0.082
  113    HB3  LYS  14           2HB      LYS  14   2.082  -3.423   1.669
  114    HG2  LYS  14           1HG      LYS  14   2.811  -6.038   1.089
  115    HG3  LYS  14           2HG      LYS  14   2.928  -5.232  -0.475
  116    HD2  LYS  14           1HD      LYS  14   5.061  -5.021   0.685
  117    HD3  LYS  14           2HD      LYS  14   4.291  -3.437   0.599
  118    HE2  LYS  14           1HE      LYS  14   3.287  -4.088   2.933
  119    HE3  LYS  14           2HE      LYS  14   4.642  -5.230   2.984
  120    HZ1  LYS  14           3HZ      LYS  14   5.693  -3.365   3.736
  121    HZ2  LYS  14           1HZ      LYS  14   4.680  -2.303   2.884
  122    HZ3  LYS  14           2HZ      LYS  14   5.915  -3.137   2.067
  123    H    THR  15           H        THR  15   1.404  -4.370   3.955
  124    HA   THR  15           HA       THR  15   3.024  -6.514   4.745
  125    HB   THR  15           HB       THR  15   1.066  -4.748   6.240
  126    HG1  THR  15           HG1      THR  15   3.354  -4.092   6.960
  127   HG21  THR  15          3HG2      THR  15   2.606  -5.485   8.232
  128   HG22  THR  15          1HG2      THR  15   2.894  -6.911   7.236
  129   HG23  THR  15          2HG2      THR  15   1.255  -6.514   7.753
  130    H    ILE  16           H        ILE  16  -0.438  -6.359   4.341
  131    HA   ILE  16           HA       ILE  16  -0.937  -8.886   5.795
  132    HB   ILE  16           HB       ILE  16  -2.642  -7.008   4.123
  133   HG12  ILE  16          1HG1      ILE  16  -3.075  -7.426   7.034
  134   HG13  ILE  16          2HG1      ILE  16  -1.608  -6.557   6.587
  135   HG21  ILE  16          1HG2      ILE  16  -4.418  -8.410   4.353
  136   HG22  ILE  16          2HG2      ILE  16  -3.950  -8.882   5.987
  137   HG23  ILE  16          3HG2      ILE  16  -3.192  -9.654   4.595
  138   HD11  ILE  16          3HD1      ILE  16  -2.909  -4.946   5.294
  139   HD12  ILE  16          1HD1      ILE  16  -3.550  -5.030   6.935
  140   HD13  ILE  16          2HD1      ILE  16  -4.391  -5.846   5.617
  141    H    HIS  17           H        HIS  17  -1.424  -7.793   2.400
  142    HA   HIS  17           HA       HIS  17  -2.029 -10.222   1.207
  143    HB2  HIS  17           1HB      HIS  17  -0.255  -7.927   0.423
  144    HB3  HIS  17           2HB      HIS  17  -0.549  -9.263  -0.684
  145    HD1  HIS  17           HD1      HIS  17  -3.294  -9.826  -0.916
  146    HD2  HIS  17           HD2      HIS  17  -2.177  -5.959   0.170
  147    HE1  HIS  17           HE1      HIS  17  -5.291  -8.344  -1.392
  148    H    ARG  18           H        ARG  18   1.188  -9.064   2.210
  149    HA   ARG  18           HA       ARG  18   2.559 -11.438   1.242
  150    HB2  ARG  18           1HB      ARG  18   3.379  -8.983   1.752
  151    HB3  ARG  18           2HB      ARG  18   3.568  -9.593   3.398
  152    HG2  ARG  18           1HG      ARG  18   5.192 -11.172   2.761
  153    HG3  ARG  18           2HG      ARG  18   4.717 -11.110   1.063
  154    HD2  ARG  18           1HD      ARG  18   6.208  -9.455   0.662
  155    HD3  ARG  18           2HD      ARG  18   5.529  -8.475   1.977
  156    HE   ARG  18           HE       ARG  18   7.353  -9.196   3.280
  157   HH11  ARG  18          1HH1      ARG  18   8.369 -10.472   0.590
  158   HH12  ARG  18          2HH1      ARG  18   8.804 -12.045   1.170
  159   HH21  ARG  18          1HH2      ARG  18   7.117 -11.692   4.179
  160   HH22  ARG  18          2HH2      ARG  18   8.095 -12.735   3.202
  161    H    LEU  19           H        LEU  19   1.651 -10.225   4.476
  162    HA   LEU  19           HA       LEU  19   2.436 -12.593   5.892
  163    HB2  LEU  19           1HB      LEU  19   2.060 -10.553   7.089
  164    HB3  LEU  19           2HB      LEU  19   0.462 -10.345   6.371
  165    HG   LEU  19           HG       LEU  19   0.760 -12.895   7.789
  166   HD11  LEU  19          1HD1      LEU  19   1.489 -12.191   9.802
  167   HD12  LEU  19          2HD1      LEU  19   0.373 -10.826   9.788
  168   HD13  LEU  19          3HD1      LEU  19   1.959 -10.677   9.029
  169   HD21  LEU  19          3HD2      LEU  19  -1.212 -10.821   8.590
  170   HD22  LEU  19          1HD2      LEU  19  -1.463 -12.527   8.220
  171   HD23  LEU  19          2HD2      LEU  19  -1.292 -11.357   6.912
  172    H    VAL  20           H        VAL  20  -0.150 -11.895   3.706
  173    HA   VAL  20           HA       VAL  20  -1.764 -14.189   4.772
  174    HB   VAL  20           HB       VAL  20  -2.459 -11.670   4.006
  175   HG11  VAL  20          1HG1      VAL  20  -3.710 -11.938   1.857
  176   HG12  VAL  20          2HG1      VAL  20  -2.931 -13.507   1.651
  177   HG13  VAL  20          3HG1      VAL  20  -1.960 -12.037   1.657
  178   HG21  VAL  20          3HG2      VAL  20  -4.747 -12.483   4.055
  179   HG22  VAL  20          1HG2      VAL  20  -3.805 -13.385   5.243
  180   HG23  VAL  20          2HG2      VAL  20  -4.209 -14.124   3.693
  181    H    THR  21           H        THR  21  -0.103 -13.086   1.854
  182    HA   THR  21           HA       THR  21  -0.897 -15.348   0.225
  183    HB   THR  21           HB       THR  21   1.366 -13.331   0.058
  184    HG1  THR  21           HG1      THR  21  -0.225 -12.101  -0.481
  185   HG21  THR  21          3HG2      THR  21   2.151 -14.683  -1.575
  186   HG22  THR  21          1HG2      THR  21   0.748 -14.162  -2.508
  187   HG23  THR  21          2HG2      THR  21   0.684 -15.661  -1.580
  188    H    GLY  22           H        GLY  22   1.065 -15.225   2.917
  189    HA2  GLY  22           1HA      GLY  22   3.120 -17.096   1.928
  190    HA3  GLY  22           2HA      GLY  22   3.020 -16.438   3.562
  Start of MODEL    7
    1    H1   PHE   1           1H       PHE   1  -0.843  16.424   2.668
    2    H2   PHE   1           2H       PHE   1   0.303  15.175   2.768
    3    H3   PHE   1           3H       PHE   1   0.433  16.532   3.780
    4    HA   PHE   1           HA       PHE   1  -0.522  15.103   5.265
    5    HB2  PHE   1           1HB      PHE   1  -1.976  17.140   4.408
    6    HB3  PHE   1           2HB      PHE   1  -3.036  15.866   3.805
    7    HD1  PHE   1           HD1      PHE   1  -1.159  16.849   6.901
    8    HD2  PHE   1           HD2      PHE   1  -4.632  14.945   5.239
    9    HE1  PHE   1           HE1      PHE   1  -2.077  16.532   9.183
   10    HE2  PHE   1           HE2      PHE   1  -5.550  14.628   7.521
   11    HZ   PHE   1           HZ       PHE   1  -4.273  15.422   9.493
   12    H    PHE   2           H        PHE   2  -2.692  14.624   2.456
   13    HA   PHE   2           HA       PHE   2  -3.318  11.908   3.076
   14    HB2  PHE   2           1HB      PHE   2  -4.262  13.800   1.426
   15    HB3  PHE   2           2HB      PHE   2  -3.323  12.873   0.251
   16    HD1  PHE   2           HD2      PHE   2  -5.731  12.429   3.047
   17    HD2  PHE   2           HD1      PHE   2  -4.305  10.969  -0.718
   18    HE1  PHE   2           HE2      PHE   2  -7.547  10.730   3.027
   19    HE2  PHE   2           HE1      PHE   2  -6.113   9.267  -0.751
   20    HZ   PHE   2           HZ       PHE   2  -7.735   9.148   1.123
   21    H    HIS   3           H        HIS   3  -0.603  13.353   1.401
   22    HA   HIS   3           HA       HIS   3   0.275  11.051  -0.080
   23    HB2  HIS   3           1HB      HIS   3   0.952  13.703   0.180
   24    HB3  HIS   3           2HB      HIS   3   2.311  12.908   0.975
   25    HD1  HIS   3           HD1      HIS   3   4.134  12.285  -0.593
   26    HD2  HIS   3           HD2      HIS   3   0.424  12.272  -2.496
   27    HE1  HIS   3           HE1      HIS   3   4.572  11.686  -3.015
   28    H    HIS   4           H        HIS   4   0.809  12.137   3.240
   29    HA   HIS   4           HA       HIS   4   2.831  10.117   3.819
   30    HB2  HIS   4           1HB      HIS   4   1.581  12.436   5.025
   31    HB3  HIS   4           2HB      HIS   4   1.714  11.116   6.186
   32    HD1  HIS   4           HD1      HIS   4   3.938  10.919   7.307
   33    HD2  HIS   4           HD2      HIS   4   4.228  12.901   3.652
   34    HE1  HIS   4           HE1      HIS   4   6.353  11.651   7.080
   35    H    ILE   5           H        ILE   5  -0.508  10.088   3.564
   36    HA   ILE   5           HA       ILE   5  -0.806   7.832   5.477
   37    HB   ILE   5           HB       ILE   5  -2.810   9.400   3.879
   38   HG12  ILE   5          1HG1      ILE   5  -1.516  10.930   5.189
   39   HG13  ILE   5          2HG1      ILE   5  -3.061  10.716   6.022
   40   HG21  ILE   5          1HG2      ILE   5  -4.205   7.830   4.757
   41   HG22  ILE   5          2HG2      ILE   5  -3.940   8.638   6.302
   42   HG23  ILE   5          3HG2      ILE   5  -2.959   7.241   5.857
   43   HD11  ILE   5          3HD1      ILE   5  -2.009   9.035   7.495
   44   HD12  ILE   5          1HD1      ILE   5  -1.166  10.581   7.603
   45   HD13  ILE   5          2HD1      ILE   5  -0.478   9.264   6.650
   46    H    PHE   6           H        PHE   6  -1.750   8.739   2.165
   47    HA   PHE   6           HA       PHE   6  -2.634   6.216   1.256
   48    HB2  PHE   6           1HB      PHE   6  -2.331   8.632   0.136
   49    HB3  PHE   6           2HB      PHE   6  -0.846   7.904  -0.473
   50    HD1  PHE   6           HD1      PHE   6  -0.907   5.986  -1.996
   51    HD2  PHE   6           HD2      PHE   6  -4.521   7.812  -0.565
   52    HE1  PHE   6           HE1      PHE   6  -2.203   4.790  -3.741
   53    HE2  PHE   6           HE2      PHE   6  -5.817   6.617  -2.310
   54    HZ   PHE   6           HZ       PHE   6  -4.657   5.106  -3.898
   55    H    ARG   7           H        ARG   7   0.593   7.514   1.741
   56    HA   ARG   7           HA       ARG   7   1.966   5.138   0.729
   57    HB2  ARG   7           1HB      ARG   7   2.540   7.830   1.815
   58    HB3  ARG   7           2HB      ARG   7   3.746   6.609   2.197
   59    HG2  ARG   7           1HG      ARG   7   4.240   6.200  -0.061
   60    HG3  ARG   7           2HG      ARG   7   2.709   6.884  -0.610
   61    HD2  ARG   7           1HD      ARG   7   3.910   8.776  -1.037
   62    HD3  ARG   7           2HD      ARG   7   3.917   9.013   0.722
   63    HE   ARG   7           HE       ARG   7   6.205   8.246  -0.831
   64   HH11  ARG   7          1HH1      ARG   7   4.775   8.299   2.256
   65   HH12  ARG   7          2HH1      ARG   7   6.037   7.397   3.026
   66   HH21  ARG   7          1HH2      ARG   7   7.729   6.735   0.073
   67   HH22  ARG   7          2HH2      ARG   7   7.709   6.510   1.791
   68    H    GLY   8           H        GLY   8   0.790   6.469   3.797
   69    HA2  GLY   8           1HA      GLY   8   2.236   4.551   5.455
   70    HA3  GLY   8           2HA      GLY   8   0.904   5.585   5.986
   71    H    ILE   9           H        ILE   9  -1.030   4.738   4.058
   72    HA   ILE   9           HA       ILE   9  -1.919   2.242   5.315
   73    HB   ILE   9           HB       ILE   9  -3.006   4.059   3.144
   74   HG12  ILE   9          1HG1      ILE   9  -4.208   3.718   5.863
   75   HG13  ILE   9          2HG1      ILE   9  -2.740   4.687   5.720
   76   HG21  ILE   9          1HG2      ILE   9  -4.414   1.819   4.626
   77   HG22  ILE   9          2HG2      ILE   9  -3.848   1.713   2.959
   78   HG23  ILE   9          3HG2      ILE   9  -5.113   2.863   3.388
   79   HD11  ILE   9          3HD1      ILE   9  -5.312   5.111   4.170
   80   HD12  ILE   9          1HD1      ILE   9  -3.833   6.050   3.957
   81   HD13  ILE   9          2HD1      ILE   9  -4.713   6.124   5.484
   82    H    VAL  10           H        VAL  10  -0.841   3.265   2.079
   83    HA   VAL  10           HA       VAL  10  -1.368   0.872   0.662
   84    HB   VAL  10           HB       VAL  10   0.661   3.090   0.481
   85   HG11  VAL  10          1HG1      VAL  10   1.375   2.146  -1.715
   86   HG12  VAL  10          2HG1      VAL  10   0.457   0.683  -1.358
   87   HG13  VAL  10          3HG1      VAL  10   1.844   1.120  -0.360
   88   HG21  VAL  10          3HG2      VAL  10  -1.857   3.193  -0.178
   89   HG22  VAL  10          1HG2      VAL  10  -1.373   2.224  -1.570
   90   HG23  VAL  10          2HG2      VAL  10  -0.670   3.822  -1.321
   91    H    HIS  11           H        HIS  11   1.848   1.804   1.952
   92    HA   HIS  11           HA       HIS  11   3.163  -0.636   1.666
   93    HB2  HIS  11           1HB      HIS  11   3.254   1.559   3.727
   94    HB3  HIS  11           2HB      HIS  11   4.364   0.192   3.816
   95    HD1  HIS  11           HD1      HIS  11   6.536   0.782   2.759
   96    HD2  HIS  11           HD2      HIS  11   3.337   2.524   0.732
   97    HE1  HIS  11           HE1      HIS  11   7.529   2.046   0.802
   98    H    VAL  12           H        VAL  12   1.626   0.413   4.715
   99    HA   VAL  12           HA       VAL  12   1.761  -2.001   6.127
  100    HB   VAL  12           HB       VAL  12  -0.280  -1.072   7.292
  101   HG11  VAL  12          1HG1      VAL  12   1.407   0.008   8.340
  102   HG12  VAL  12          2HG1      VAL  12   1.009   1.384   7.310
  103   HG13  VAL  12          3HG1      VAL  12   2.279   0.260   6.828
  104   HG21  VAL  12          3HG2      VAL  12  -0.988   1.203   6.454
  105   HG22  VAL  12          1HG2      VAL  12  -1.509  -0.164   5.470
  106   HG23  VAL  12          2HG2      VAL  12  -0.141   0.822   4.956
  107    H    GLY  13           H        GLY  13  -0.692  -0.956   3.765
  108    HA2  GLY  13           1HA      GLY  13  -2.370  -3.277   4.073
  109    HA3  GLY  13           2HA      GLY  13  -2.396  -2.171   2.698
  110    H    LYS  14           H        LYS  14   0.591  -2.652   2.342
  111    HA   LYS  14           HA       LYS  14   0.306  -4.929   0.523
  112    HB2  LYS  14           1HB      LYS  14   1.588  -2.892  -0.029
  113    HB3  LYS  14           2HB      LYS  14   2.672  -3.207   1.327
  114    HG2  LYS  14           1HG      LYS  14   2.776  -5.601   0.017
  115    HG3  LYS  14           2HG      LYS  14   2.567  -4.487  -1.335
  116    HD2  LYS  14           1HD      LYS  14   4.474  -3.427   0.573
  117    HD3  LYS  14           2HD      LYS  14   4.959  -5.036   0.036
  118    HE2  LYS  14           1HE      LYS  14   4.138  -2.823  -1.873
  119    HE3  LYS  14           2HE      LYS  14   5.822  -3.180  -1.446
  120    HZ1  LYS  14           3HZ      LYS  14   5.754  -5.212  -2.446
  121    HZ2  LYS  14           1HZ      LYS  14   4.656  -4.395  -3.448
  122    HZ3  LYS  14           2HZ      LYS  14   4.082  -5.408  -2.212
  123    H    THR  15           H        THR  15   2.081  -4.242   3.522
  124    HA   THR  15           HA       THR  15   3.504  -6.709   3.704
  125    HB   THR  15           HB       THR  15   2.337  -4.960   5.899
  126    HG1  THR  15           HG1      THR  15   4.819  -4.820   4.533
  127   HG21  THR  15          3HG2      THR  15   3.180  -6.832   7.001
  128   HG22  THR  15          1HG2      THR  15   4.595  -5.781   6.962
  129   HG23  THR  15          2HG2      THR  15   4.442  -7.097   5.798
  130    H    ILE  16           H        ILE  16   0.152  -6.013   3.939
  131    HA   ILE  16           HA       ILE  16  -0.504  -8.326   5.655
  132    HB   ILE  16           HB       ILE  16  -2.138  -6.314   4.075
  133   HG12  ILE  16          1HG1      ILE  16  -1.734  -6.575   7.067
  134   HG13  ILE  16          2HG1      ILE  16  -0.765  -5.507   6.052
  135   HG21  ILE  16          1HG2      ILE  16  -3.230  -8.039   6.279
  136   HG22  ILE  16          2HG2      ILE  16  -3.131  -8.686   4.642
  137   HG23  ILE  16          3HG2      ILE  16  -4.090  -7.241   4.961
  138   HD11  ILE  16          3HD1      ILE  16  -3.435  -4.992   5.332
  139   HD12  ILE  16          1HD1      ILE  16  -2.375  -3.949   6.279
  140   HD13  ILE  16          2HD1      ILE  16  -3.438  -5.097   7.093
  141    H    HIS  17           H        HIS  17  -1.413  -7.404   2.294
  142    HA   HIS  17           HA       HIS  17  -2.565  -9.760   1.437
  143    HB2  HIS  17           1HB      HIS  17  -0.644  -7.822   0.209
  144    HB3  HIS  17           2HB      HIS  17  -1.195  -9.208  -0.726
  145    HD1  HIS  17           HD1      HIS  17  -2.465  -6.069   0.936
  146    HD2  HIS  17           HD2      HIS  17  -3.893  -9.079  -1.568
  147    HE1  HIS  17           HE1      HIS  17  -4.741  -5.308   0.129
  148    H    ARG  18           H        ARG  18   0.954  -9.146   1.635
  149    HA   ARG  18           HA       ARG  18   1.640 -11.832   0.780
  150    HB2  ARG  18           1HB      ARG  18   2.970  -9.566   0.748
  151    HB3  ARG  18           2HB      ARG  18   3.400 -10.002   2.403
  152    HG2  ARG  18           1HG      ARG  18   4.144 -12.260   1.480
  153    HG3  ARG  18           2HG      ARG  18   3.982 -11.553  -0.128
  154    HD2  ARG  18           1HD      ARG  18   5.826 -10.194   0.137
  155    HD3  ARG  18           2HD      ARG  18   5.547  -9.987   1.878
  156    HE   ARG  18           HE       ARG  18   6.910 -12.295   0.612
  157   HH11  ARG  18          1HH1      ARG  18   8.211 -10.858   2.825
  158   HH12  ARG  18          2HH1      ARG  18   7.845 -11.842   4.202
  159   HH21  ARG  18          1HH2      ARG  18   5.270 -13.551   2.628
  160   HH22  ARG  18          2HH2      ARG  18   6.179 -13.368   4.091
  161    H    LEU  19           H        LEU  19   1.640 -10.155   3.928
  162    HA   LEU  19           HA       LEU  19   2.353 -12.470   5.470
  163    HB2  LEU  19           1HB      LEU  19   2.486 -10.098   6.216
  164    HB3  LEU  19           2HB      LEU  19   0.725 -10.005   6.184
  165    HG   LEU  19           HG       LEU  19   1.683 -12.308   7.704
  166   HD11  LEU  19          1HD1      LEU  19   2.164 -10.325   9.576
  167   HD12  LEU  19          2HD1      LEU  19   2.955  -9.700   8.128
  168   HD13  LEU  19          3HD1      LEU  19   3.402 -11.284   8.763
  169   HD21  LEU  19          3HD2      LEU  19   0.249 -10.508   9.322
  170   HD22  LEU  19          1HD2      LEU  19  -0.404 -11.902   8.461
  171   HD23  LEU  19          2HD2      LEU  19  -0.422 -10.309   7.702
  172    H    VAL  20           H        VAL  20  -0.516 -11.547   3.776
  173    HA   VAL  20           HA       VAL  20  -2.182 -13.393   5.459
  174    HB   VAL  20           HB       VAL  20  -2.633 -10.872   4.571
  175   HG11  VAL  20          1HG1      VAL  20  -4.334 -11.061   2.751
  176   HG12  VAL  20          2HG1      VAL  20  -3.881 -12.755   2.564
  177   HG13  VAL  20          3HG1      VAL  20  -2.706 -11.488   2.224
  178   HG21  VAL  20          3HG2      VAL  20  -4.916 -11.224   5.224
  179   HG22  VAL  20          1HG2      VAL  20  -3.936 -12.308   6.210
  180   HG23  VAL  20          2HG2      VAL  20  -4.828 -12.939   4.825
  181    H    THR  21           H        THR  21  -1.098 -12.873   2.135
  182    HA   THR  21           HA       THR  21  -2.604 -14.992   0.927
  183    HB   THR  21           HB       THR  21   0.023 -13.627   0.273
  184    HG1  THR  21           HG1      THR  21  -1.259 -12.177  -0.500
  185   HG21  THR  21          3HG2      THR  21  -0.272 -14.544  -2.006
  186   HG22  THR  21          1HG2      THR  21  -1.663 -15.471  -1.444
  187   HG23  THR  21          2HG2      THR  21  -0.053 -15.828  -0.817
  188    H    GLY  22           H        GLY  22  -0.080 -15.120   3.198
  189    HA2  GLY  22           1HA      GLY  22   0.226 -18.023   2.720
  190    HA3  GLY  22           2HA      GLY  22   1.701 -17.056   2.690
  Start of MODEL    8
    1    H1   PHE   1           1H       PHE   1   0.945  14.707   1.867
    2    H2   PHE   1           2H       PHE   1   1.102  16.195   2.673
    3    H3   PHE   1           3H       PHE   1  -0.082  15.997   1.471
    4    HA   PHE   1           HA       PHE   1  -0.106  15.130   4.262
    5    HB2  PHE   1           1HB      PHE   1  -1.789  16.410   2.156
    6    HB3  PHE   1           2HB      PHE   1  -2.637  15.523   3.424
    7    HD1  PHE   1           HD2      PHE   1  -2.483  16.216   5.775
    8    HD2  PHE   1           HD1      PHE   1  -0.507  18.419   2.662
    9    HE1  PHE   1           HE2      PHE   1  -2.144  18.116   7.333
   10    HE2  PHE   1           HE1      PHE   1  -0.169  20.319   4.220
   11    HZ   PHE   1           HZ       PHE   1  -0.988  20.167   6.556
   12    H    PHE   2           H        PHE   2  -2.506  14.266   1.854
   13    HA   PHE   2           HA       PHE   2  -2.967  11.649   2.757
   14    HB2  PHE   2           1HB      PHE   2  -3.318  13.132   0.168
   15    HB3  PHE   2           2HB      PHE   2  -3.699  11.410   0.236
   16    HD1  PHE   2           HD2      PHE   2  -5.133  10.627   2.227
   17    HD2  PHE   2           HD1      PHE   2  -4.954  14.680   0.855
   18    HE1  PHE   2           HE2      PHE   2  -7.310  11.091   3.337
   19    HE2  PHE   2           HE1      PHE   2  -7.127  15.156   1.957
   20    HZ   PHE   2           HZ       PHE   2  -8.305  13.360   3.199
   21    H    HIS   3           H        HIS   3  -0.384  12.852   0.714
   22    HA   HIS   3           HA       HIS   3   0.429  10.427  -0.538
   23    HB2  HIS   3           1HB      HIS   3   1.939  12.880   0.410
   24    HB3  HIS   3           2HB      HIS   3   2.627  11.658  -0.659
   25    HD1  HIS   3           HD1      HIS   3   2.700  13.901  -2.298
   26    HD2  HIS   3           HD2      HIS   3  -1.026  12.173  -1.580
   27    HE1  HIS   3           HE1      HIS   3   1.153  14.751  -4.115
   28    H    HIS   4           H        HIS   4   1.494  11.897   2.538
   29    HA   HIS   4           HA       HIS   4   3.265   9.762   3.274
   30    HB2  HIS   4           1HB      HIS   4   2.254  12.254   4.299
   31    HB3  HIS   4           2HB      HIS   4   2.230  11.038   5.574
   32    HD1  HIS   4           HD1      HIS   4   4.409  10.652   6.735
   33    HD2  HIS   4           HD2      HIS   4   4.952  12.343   2.963
   34    HE1  HIS   4           HE1      HIS   4   6.893  11.093   6.497
   35    H    ILE   5           H        ILE   5  -0.073   9.910   3.112
   36    HA   ILE   5           HA       ILE   5  -0.446   7.806   5.179
   37    HB   ILE   5           HB       ILE   5  -2.407   9.377   3.526
   38   HG12  ILE   5          1HG1      ILE   5  -1.011  10.936   4.688
   39   HG13  ILE   5          2HG1      ILE   5  -2.534  10.848   5.583
   40   HG21  ILE   5          1HG2      ILE   5  -3.429   8.813   6.089
   41   HG22  ILE   5          2HG2      ILE   5  -2.641   7.324   5.567
   42   HG23  ILE   5          3HG2      ILE   5  -3.909   8.044   4.576
   43   HD11  ILE   5          3HD1      ILE   5  -1.512   9.246   7.150
   44   HD12  ILE   5          1HD1      ILE   5  -0.576  10.741   7.100
   45   HD13  ILE   5          2HD1      ILE   5  -0.004   9.312   6.236
   46    H    PHE   6           H        PHE   6  -1.436   8.582   1.849
   47    HA   PHE   6           HA       PHE   6  -2.440   6.056   1.074
   48    HB2  PHE   6           1HB      PHE   6  -1.863   8.484  -0.122
   49    HB3  PHE   6           2HB      PHE   6  -0.685   7.417  -0.884
   50    HD1  PHE   6           HD2      PHE   6  -2.187   4.845  -0.852
   51    HD2  PHE   6           HD1      PHE   6  -3.452   8.826  -1.847
   52    HE1  PHE   6           HE2      PHE   6  -3.951   3.917  -2.322
   53    HE2  PHE   6           HE1      PHE   6  -5.216   7.897  -3.318
   54    HZ   PHE   6           HZ       PHE   6  -5.468   5.441  -3.558
   55    H    ARG   7           H        ARG   7   0.795   7.227   1.608
   56    HA   ARG   7           HA       ARG   7   2.091   4.779   0.608
   57    HB2  ARG   7           1HB      ARG   7   4.015   6.068   0.794
   58    HB3  ARG   7           2HB      ARG   7   2.827   7.365   0.722
   59    HG2  ARG   7           1HG      ARG   7   2.799   7.534   3.158
   60    HG3  ARG   7           2HG      ARG   7   3.898   6.160   3.290
   61    HD2  ARG   7           1HD      ARG   7   4.544   8.813   1.948
   62    HD3  ARG   7           2HD      ARG   7   5.177   8.251   3.508
   63    HE   ARG   7           HE       ARG   7   6.233   6.349   2.272
   64   HH11  ARG   7          1HH1      ARG   7   4.511   8.335   0.137
   65   HH12  ARG   7          2HH1      ARG   7   5.748   8.381  -1.074
   66   HH21  ARG   7          1HH2      ARG   7   8.086   6.714   0.869
   67   HH22  ARG   7          2HH2      ARG   7   7.771   7.464  -0.661
   68    H    GLY   8           H        GLY   8   1.064   6.303   3.629
   69    HA2  GLY   8           1HA      GLY   8   2.411   4.384   5.358
   70    HA3  GLY   8           2HA      GLY   8   1.125   5.494   5.850
   71    H    ILE   9           H        ILE   9  -0.766   4.596   3.823
   72    HA   ILE   9           HA       ILE   9  -1.787   2.212   5.218
   73    HB   ILE   9           HB       ILE   9  -2.803   3.969   2.963
   74   HG12  ILE   9          1HG1      ILE   9  -4.079   3.851   5.649
   75   HG13  ILE   9          2HG1      ILE   9  -2.506   4.643   5.563
   76   HG21  ILE   9          1HG2      ILE   9  -3.777   1.701   2.847
   77   HG22  ILE   9          2HG2      ILE   9  -4.982   2.883   3.359
   78   HG23  ILE   9          3HG2      ILE   9  -4.235   1.813   4.546
   79   HD11  ILE   9          3HD1      ILE   9  -3.313   6.135   3.803
   80   HD12  ILE   9          1HD1      ILE   9  -4.390   6.234   5.196
   81   HD13  ILE   9          2HD1      ILE   9  -4.867   5.301   3.778
   82    H    VAL  10           H        VAL  10  -0.696   3.083   1.936
   83    HA   VAL  10           HA       VAL  10  -1.272   0.632   0.631
   84    HB   VAL  10           HB       VAL  10   0.766   2.828   0.314
   85   HG11  VAL  10          1HG1      VAL  10   1.297   1.731  -1.934
   86   HG12  VAL  10          2HG1      VAL  10   0.567   0.264  -1.281
   87   HG13  VAL  10          3HG1      VAL  10   1.998   0.953  -0.515
   88   HG21  VAL  10          3HG2      VAL  10  -1.857   2.656  -0.359
   89   HG22  VAL  10          1HG2      VAL  10  -1.122   2.012  -1.827
   90   HG23  VAL  10          2HG2      VAL  10  -0.694   3.626  -1.260
   91    H    HIS  11           H        HIS  11   1.608   1.593   2.507
   92    HA   HIS  11           HA       HIS  11   3.091  -0.834   2.051
   93    HB2  HIS  11           1HB      HIS  11   3.126   1.514   3.888
   94    HB3  HIS  11           2HB      HIS  11   4.056   0.099   4.379
   95    HD1  HIS  11           HD1      HIS  11   6.419   0.377   3.660
   96    HD2  HIS  11           HD2      HIS  11   3.776   1.884   0.811
   97    HE1  HIS  11           HE1      HIS  11   7.838   1.183   1.723
   98    H    VAL  12           H        VAL  12   1.306   0.268   4.940
   99    HA   VAL  12           HA       VAL  12   1.429  -2.098   6.459
  100    HB   VAL  12           HB       VAL  12  -0.678  -1.159   7.474
  101   HG11  VAL  12          1HG1      VAL  12   0.498   1.335   7.454
  102   HG12  VAL  12          2HG1      VAL  12   1.842   0.274   7.030
  103   HG13  VAL  12          3HG1      VAL  12   0.950   0.011   8.529
  104   HG21  VAL  12          3HG2      VAL  12  -1.618   0.876   6.520
  105   HG22  VAL  12          1HG2      VAL  12  -1.691  -0.432   5.343
  106   HG23  VAL  12          2HG2      VAL  12  -0.451   0.814   5.202
  107    H    GLY  13           H        GLY  13  -0.824  -1.177   3.867
  108    HA2  GLY  13           1HA      GLY  13  -2.471  -3.547   4.118
  109    HA3  GLY  13           2HA      GLY  13  -2.462  -2.438   2.744
  110    H    LYS  14           H        LYS  14   0.531  -2.764   2.516
  111    HA   LYS  14           HA       LYS  14   0.489  -5.016   0.669
  112    HB2  LYS  14           1HB      LYS  14   1.800  -3.020   0.214
  113    HB3  LYS  14           2HB      LYS  14   2.654  -3.185   1.749
  114    HG2  LYS  14           1HG      LYS  14   3.044  -5.651   0.532
  115    HG3  LYS  14           2HG      LYS  14   3.164  -4.510  -0.807
  116    HD2  LYS  14           1HD      LYS  14   4.728  -4.409   1.789
  117    HD3  LYS  14           2HD      LYS  14   5.370  -4.792   0.191
  118    HE2  LYS  14           1HE      LYS  14   4.240  -2.131   1.123
  119    HE3  LYS  14           2HE      LYS  14   5.893  -2.473   0.573
  120    HZ1  LYS  14           3HZ      LYS  14   4.724  -1.583  -1.275
  121    HZ2  LYS  14           1HZ      LYS  14   3.396  -2.608  -1.026
  122    HZ3  LYS  14           2HZ      LYS  14   4.877  -3.252  -1.556
  123    H    THR  15           H        THR  15   1.871  -4.390   3.875
  124    HA   THR  15           HA       THR  15   3.314  -6.850   4.151
  125    HB   THR  15           HB       THR  15   1.906  -5.202   6.279
  126    HG1  THR  15           HG1      THR  15   3.716  -3.918   6.247
  127   HG21  THR  15          3HG2      THR  15   2.816  -6.846   7.554
  128   HG22  THR  15          1HG2      THR  15   4.331  -5.989   7.273
  129   HG23  THR  15          2HG2      THR  15   3.901  -7.373   6.267
  130    H    ILE  16           H        ILE  16  -0.034  -6.174   3.993
  131    HA   ILE  16           HA       ILE  16  -0.906  -8.483   5.606
  132    HB   ILE  16           HB       ILE  16  -2.075  -6.166   4.130
  133   HG12  ILE  16          1HG1      ILE  16  -1.733  -6.101   6.551
  134   HG13  ILE  16          2HG1      ILE  16  -3.465  -6.097   6.201
  135   HG21  ILE  16          1HG2      ILE  16  -3.505  -7.659   3.056
  136   HG22  ILE  16          2HG2      ILE  16  -4.385  -7.384   4.558
  137   HG23  ILE  16          3HG2      ILE  16  -3.415  -8.843   4.359
  138   HD11  ILE  16          3HD1      ILE  16  -1.957  -8.007   7.729
  139   HD12  ILE  16          1HD1      ILE  16  -2.656  -8.812   6.324
  140   HD13  ILE  16          2HD1      ILE  16  -3.698  -7.947   7.457
  141    H    HIS  17           H        HIS  17  -1.409  -7.585   2.166
  142    HA   HIS  17           HA       HIS  17  -2.358  -9.942   1.130
  143    HB2  HIS  17           1HB      HIS  17  -0.243  -8.030   0.184
  144    HB3  HIS  17           2HB      HIS  17  -0.788  -9.359  -0.831
  145    HD1  HIS  17           HD1      HIS  17  -3.301  -9.328  -1.607
  146    HD2  HIS  17           HD2      HIS  17  -2.102  -5.915   0.463
  147    HE1  HIS  17           HE1      HIS  17  -5.109  -7.595  -1.977
  148    H    ARG  18           H        ARG  18   1.062  -9.306   1.953
  149    HA   ARG  18           HA       ARG  18   1.906 -11.972   1.146
  150    HB2  ARG  18           1HB      ARG  18   3.225  -9.716   1.339
  151    HB3  ARG  18           2HB      ARG  18   3.369 -10.142   3.044
  152    HG2  ARG  18           1HG      ARG  18   4.794 -11.886   2.631
  153    HG3  ARG  18           2HG      ARG  18   4.011 -12.297   1.105
  154    HD2  ARG  18           1HD      ARG  18   5.890 -11.363   0.177
  155    HD3  ARG  18           2HD      ARG  18   5.074  -9.824   0.526
  156    HE   ARG  18           HE       ARG  18   6.597 -10.970   2.772
  157   HH11  ARG  18          1HH1      ARG  18   5.821  -8.180   1.155
  158   HH12  ARG  18          2HH1      ARG  18   7.394  -7.461   1.239
  159   HH21  ARG  18          1HH2      ARG  18   8.936 -10.333   2.419
  160   HH22  ARG  18          2HH2      ARG  18   9.158  -8.681   1.953
  161    H    LEU  19           H        LEU  19   1.386 -10.327   4.262
  162    HA   LEU  19           HA       LEU  19   1.838 -12.650   5.891
  163    HB2  LEU  19           1HB      LEU  19   1.849 -10.337   6.730
  164    HB3  LEU  19           2HB      LEU  19   0.154 -10.148   6.282
  165    HG   LEU  19           HG       LEU  19   0.521 -12.509   7.924
  166   HD11  LEU  19          1HD1      LEU  19   2.203 -11.657   9.228
  167   HD12  LEU  19          2HD1      LEU  19   0.867 -10.782   9.979
  168   HD13  LEU  19          3HD1      LEU  19   1.864  -9.991   8.756
  169   HD21  LEU  19          3HD2      LEU  19  -1.344 -10.414   7.462
  170   HD22  LEU  19          1HD2      LEU  19  -0.948 -10.378   9.181
  171   HD23  LEU  19          2HD2      LEU  19  -1.571 -11.858   8.449
  172    H    VAL  20           H        VAL  20  -0.701 -11.713   3.739
  173    HA   VAL  20           HA       VAL  20  -2.631 -13.576   5.080
  174    HB   VAL  20           HB       VAL  20  -2.914 -11.051   4.128
  175   HG11  VAL  20          1HG1      VAL  20  -2.569 -11.676   1.804
  176   HG12  VAL  20          2HG1      VAL  20  -4.261 -11.239   2.033
  177   HG13  VAL  20          3HG1      VAL  20  -3.792 -12.936   1.933
  178   HG21  VAL  20          3HG2      VAL  20  -5.306 -11.439   4.294
  179   HG22  VAL  20          1HG2      VAL  20  -4.495 -12.410   5.523
  180   HG23  VAL  20          2HG2      VAL  20  -5.079 -13.170   4.042
  181    H    THR  21           H        THR  21  -0.950 -13.042   2.019
  182    HA   THR  21           HA       THR  21  -2.202 -15.121   0.513
  183    HB   THR  21           HB       THR  21   0.504 -13.770   0.464
  184    HG1  THR  21           HG1      THR  21  -0.435 -12.541  -1.021
  185   HG21  THR  21          3HG2      THR  21   0.763 -16.012  -0.509
  186   HG22  THR  21          1HG2      THR  21   0.827 -14.780  -1.770
  187   HG23  THR  21          2HG2      THR  21  -0.639 -15.734  -1.542
  188    H    GLY  22           H        GLY  22  -0.161 -15.312   3.243
  189    HA2  GLY  22           1HA      GLY  22   0.396 -18.186   2.628
  190    HA3  GLY  22           2HA      GLY  22   1.583 -17.169   3.445
  Start of MODEL    9
    1    H1   PHE   1           1H       PHE   1  -1.680  15.795   4.823
    2    H2   PHE   1           2H       PHE   1  -0.556  16.030   3.569
    3    H3   PHE   1           3H       PHE   1  -0.122  16.364   5.178
    4    HA   PHE   1           HA       PHE   1   0.845  14.257   4.469
    5    HB2  PHE   1           1HB      PHE   1  -0.060  13.009   6.407
    6    HB3  PHE   1           2HB      PHE   1   0.163  14.713   6.803
    7    HD1  PHE   1           HD2      PHE   1  -2.398  12.258   5.622
    8    HD2  PHE   1           HD1      PHE   1  -1.648  16.022   7.554
    9    HE1  PHE   1           HE2      PHE   1  -4.804  12.446   6.190
   10    HE2  PHE   1           HE1      PHE   1  -4.055  16.209   8.122
   11    HZ   PHE   1           HZ       PHE   1  -5.633  14.421   7.439
   12    H    PHE   2           H        PHE   2  -2.040  14.896   3.042
   13    HA   PHE   2           HA       PHE   2  -3.578  12.626   2.752
   14    HB2  PHE   2           1HB      PHE   2  -3.709  14.874   1.574
   15    HB3  PHE   2           2HB      PHE   2  -2.521  14.250   0.423
   16    HD1  PHE   2           HD2      PHE   2  -5.785  13.446   2.000
   17    HD2  PHE   2           HD1      PHE   2  -3.253  12.976  -1.424
   18    HE1  PHE   2           HE2      PHE   2  -7.631  12.290   0.801
   19    HE2  PHE   2           HE1      PHE   2  -5.087  11.819  -2.630
   20    HZ   PHE   2           HZ       PHE   2  -7.278  11.476  -1.516
   21    H    HIS   3           H        HIS   3  -0.349  13.161   1.398
   22    HA   HIS   3           HA       HIS   3  -0.377  10.507   0.074
   23    HB2  HIS   3           1HB      HIS   3   0.716  13.009  -0.462
   24    HB3  HIS   3           2HB      HIS   3   2.105  12.063   0.072
   25    HD1  HIS   3           HD1      HIS   3   1.489   9.319  -1.040
   26    HD2  HIS   3           HD2      HIS   3   0.827  12.809  -3.223
   27    HE1  HIS   3           HE1      HIS   3   1.463   8.643  -3.481
   28    H    HIS   4           H        HIS   4   0.933  12.114   2.902
   29    HA   HIS   4           HA       HIS   4   3.018  10.229   3.512
   30    HB2  HIS   4           1HB      HIS   4   1.745  12.573   4.603
   31    HB3  HIS   4           2HB      HIS   4   1.973  11.373   5.874
   32    HD1  HIS   4           HD1      HIS   4   4.236  11.397   6.924
   33    HD2  HIS   4           HD2      HIS   4   4.333  12.933   3.050
   34    HE1  HIS   4           HE1      HIS   4   6.618  12.155   6.513
   35    H    ILE   5           H        ILE   5  -0.320   9.938   3.553
   36    HA   ILE   5           HA       ILE   5  -0.245   7.764   5.593
   37    HB   ILE   5           HB       ILE   5  -2.519   9.265   4.320
   38   HG12  ILE   5          1HG1      ILE   5  -1.082  10.810   5.463
   39   HG13  ILE   5          2HG1      ILE   5  -2.495  10.546   6.494
   40   HG21  ILE   5          1HG2      ILE   5  -2.425   6.976   6.020
   41   HG22  ILE   5          2HG2      ILE   5  -3.854   7.860   5.484
   42   HG23  ILE   5          3HG2      ILE   5  -3.041   8.322   6.979
   43   HD11  ILE   5          3HD1      ILE   5  -0.422  10.429   7.816
   44   HD12  ILE   5          1HD1      ILE   5   0.191   9.170   6.742
   45   HD13  ILE   5          2HD1      ILE   5  -1.211   8.851   7.765
   46    H    PHE   6           H        PHE   6  -1.613   8.597   2.417
   47    HA   PHE   6           HA       PHE   6  -2.600   6.054   1.677
   48    HB2  PHE   6           1HB      PHE   6  -2.299   8.496   0.477
   49    HB3  PHE   6           2HB      PHE   6  -1.062   7.570  -0.374
   50    HD1  PHE   6           HD2      PHE   6  -1.714   5.359  -1.453
   51    HD2  PHE   6           HD1      PHE   6  -4.600   8.197  -0.021
   52    HE1  PHE   6           HE2      PHE   6  -3.465   4.275  -2.834
   53    HE2  PHE   6           HE1      PHE   6  -6.351   7.114  -1.401
   54    HZ   PHE   6           HZ       PHE   6  -5.784   5.153  -2.809
   55    H    ARG   7           H        ARG   7   0.637   7.301   1.968
   56    HA   ARG   7           HA       ARG   7   1.905   4.917   0.797
   57    HB2  ARG   7           1HB      ARG   7   2.585   7.643   1.706
   58    HB3  ARG   7           2HB      ARG   7   3.824   6.439   2.037
   59    HG2  ARG   7           1HG      ARG   7   3.547   5.698  -0.399
   60    HG3  ARG   7           2HG      ARG   7   2.629   7.187  -0.630
   61    HD2  ARG   7           1HD      ARG   7   5.490   7.022   0.390
   62    HD3  ARG   7           2HD      ARG   7   4.991   7.572  -1.223
   63    HE   ARG   7           HE       ARG   7   3.552   9.283   0.140
   64   HH11  ARG   7          1HH1      ARG   7   5.296   7.968   2.490
   65   HH12  ARG   7          2HH1      ARG   7   6.314   9.327   2.835
   66   HH21  ARG   7          1HH2      ARG   7   5.428  11.056  -0.037
   67   HH22  ARG   7          2HH2      ARG   7   6.388  11.077   1.405
   68    H    GLY   8           H        GLY   8   1.058   6.338   3.927
   69    HA2  GLY   8           1HA      GLY   8   2.653   4.438   5.475
   70    HA3  GLY   8           2HA      GLY   8   1.420   5.527   6.120
   71    H    ILE   9           H        ILE   9  -0.692   4.628   4.318
   72    HA   ILE   9           HA       ILE   9  -1.518   2.220   5.797
   73    HB   ILE   9           HB       ILE   9  -2.804   3.942   3.655
   74   HG12  ILE   9          1HG1      ILE   9  -3.655   3.817   6.528
   75   HG13  ILE   9          2HG1      ILE   9  -2.229   4.767   6.110
   76   HG21  ILE   9          1HG2      ILE   9  -4.539   2.504   3.600
   77   HG22  ILE   9          2HG2      ILE   9  -4.602   2.422   5.360
   78   HG23  ILE   9          3HG2      ILE   9  -3.519   1.356   4.465
   79   HD11  ILE   9          3HD1      ILE   9  -3.503   6.089   4.524
   80   HD12  ILE   9          1HD1      ILE   9  -4.358   6.097   6.067
   81   HD13  ILE   9          2HD1      ILE   9  -4.921   5.066   4.752
   82    H    VAL  10           H        VAL  10  -0.773   3.108   2.426
   83    HA   VAL  10           HA       VAL  10  -1.439   0.632   1.202
   84    HB   VAL  10           HB       VAL  10   0.515   2.860   0.649
   85   HG11  VAL  10          1HG1      VAL  10   1.659   0.989  -0.306
   86   HG12  VAL  10          2HG1      VAL  10   0.794   1.753  -1.639
   87   HG13  VAL  10          3HG1      VAL  10   0.155   0.285  -0.900
   88   HG21  VAL  10          3HG2      VAL  10  -1.095   3.596  -0.837
   89   HG22  VAL  10          1HG2      VAL  10  -2.138   2.755   0.310
   90   HG23  VAL  10          2HG2      VAL  10  -1.662   1.964  -1.192
   91    H    HIS  11           H        HIS  11   1.813   1.728   2.273
   92    HA   HIS  11           HA       HIS  11   3.222  -0.667   1.885
   93    HB2  HIS  11           1HB      HIS  11   3.365   1.699   3.679
   94    HB3  HIS  11           2HB      HIS  11   4.341   0.308   4.145
   95    HD1  HIS  11           HD1      HIS  11   6.647   0.575   3.260
   96    HD2  HIS  11           HD2      HIS  11   3.809   2.001   0.561
   97    HE1  HIS  11           HE1      HIS  11   7.926   1.344   1.214
   98    H    VAL  12           H        VAL  12   1.863   0.376   5.018
   99    HA   VAL  12           HA       VAL  12   2.118  -2.050   6.411
  100    HB   VAL  12           HB       VAL  12   0.164  -1.124   7.724
  101   HG11  VAL  12          1HG1      VAL  12   2.002  -0.118   8.610
  102   HG12  VAL  12          2HG1      VAL  12   1.396   1.311   7.772
  103   HG13  VAL  12          3HG1      VAL  12   2.643   0.313   7.025
  104   HG21  VAL  12          3HG2      VAL  12  -0.620   1.145   6.959
  105   HG22  VAL  12          1HG2      VAL  12  -1.188  -0.212   5.988
  106   HG23  VAL  12          2HG2      VAL  12   0.135   0.795   5.404
  107    H    GLY  13           H        GLY  13  -0.578  -0.931   4.354
  108    HA2  GLY  13           1HA      GLY  13  -2.225  -3.239   4.665
  109    HA3  GLY  13           2HA      GLY  13  -2.285  -2.134   3.288
  110    H    LYS  14           H        LYS  14   0.625  -2.617   2.714
  111    HA   LYS  14           HA       LYS  14   0.250  -4.909   0.951
  112    HB2  LYS  14           1HB      LYS  14   1.587  -3.109   0.153
  113    HB3  LYS  14           2HB      LYS  14   2.513  -3.032   1.651
  114    HG2  LYS  14           1HG      LYS  14   3.832  -4.102  -0.135
  115    HG3  LYS  14           2HG      LYS  14   3.491  -5.245   1.165
  116    HD2  LYS  14           1HD      LYS  14   2.754  -6.599  -0.504
  117    HD3  LYS  14           2HD      LYS  14   1.305  -5.592  -0.454
  118    HE2  LYS  14           1HE      LYS  14   2.310  -4.097  -2.180
  119    HE3  LYS  14           2HE      LYS  14   3.704  -5.191  -2.277
  120    HZ1  LYS  14           3HZ      LYS  14   1.928  -7.003  -2.549
  121    HZ2  LYS  14           1HZ      LYS  14   2.277  -6.025  -3.889
  122    HZ3  LYS  14           2HZ      LYS  14   0.883  -5.729  -2.964
  123    H    THR  15           H        THR  15   1.979  -4.281   3.975
  124    HA   THR  15           HA       THR  15   3.493  -6.662   4.186
  125    HB   THR  15           HB       THR  15   1.976  -5.260   6.410
  126    HG1  THR  15           HG1      THR  15   3.864  -3.904   6.443
  127   HG21  THR  15          3HG2      THR  15   4.780  -6.090   6.760
  128   HG22  THR  15          1HG2      THR  15   3.657  -7.425   6.498
  129   HG23  THR  15          2HG2      THR  15   3.399  -6.305   7.835
  130    H    ILE  16           H        ILE  16   0.069  -6.146   4.287
  131    HA   ILE  16           HA       ILE  16  -0.535  -8.703   5.647
  132    HB   ILE  16           HB       ILE  16  -2.095  -6.431   4.400
  133   HG12  ILE  16          1HG1      ILE  16  -3.025  -6.598   6.871
  134   HG13  ILE  16          2HG1      ILE  16  -1.516  -7.467   7.157
  135   HG21  ILE  16          1HG2      ILE  16  -3.642  -8.047   3.888
  136   HG22  ILE  16          2HG2      ILE  16  -4.029  -7.884   5.601
  137   HG23  ILE  16          3HG2      ILE  16  -2.983  -9.194   5.053
  138   HD11  ILE  16          3HD1      ILE  16  -0.238  -5.573   6.246
  139   HD12  ILE  16          1HD1      ILE  16  -1.255  -5.043   7.586
  140   HD13  ILE  16          2HD1      ILE  16  -1.740  -4.704   5.925
  141    H    HIS  17           H        HIS  17  -0.966  -7.341   2.354
  142    HA   HIS  17           HA       HIS  17  -2.159  -9.457   1.037
  143    HB2  HIS  17           1HB      HIS  17   0.104  -7.610   0.372
  144    HB3  HIS  17           2HB      HIS  17  -0.437  -8.800  -0.808
  145    HD1  HIS  17           HD1      HIS  17  -3.028  -8.657  -1.504
  146    HD2  HIS  17           HD2      HIS  17  -1.553  -5.364   0.584
  147    HE1  HIS  17           HE1      HIS  17  -4.709  -6.790  -1.832
  148    H    ARG  18           H        ARG  18   1.257  -9.252   2.041
  149    HA   ARG  18           HA       ARG  18   1.939 -11.831   0.881
  150    HB2  ARG  18           1HB      ARG  18   3.436  -9.786   1.449
  151    HB3  ARG  18           2HB      ARG  18   3.387 -10.385   3.107
  152    HG2  ARG  18           1HG      ARG  18   4.144 -12.640   2.167
  153    HG3  ARG  18           2HG      ARG  18   4.486 -11.784   0.662
  154    HD2  ARG  18           1HD      ARG  18   6.557 -11.741   1.839
  155    HD3  ARG  18           2HD      ARG  18   5.852 -10.144   2.163
  156    HE   ARG  18           HE       ARG  18   4.933 -12.065   4.109
  157   HH11  ARG  18          1HH1      ARG  18   8.093 -11.985   3.595
  158   HH12  ARG  18          2HH1      ARG  18   8.553 -11.059   4.984
  159   HH21  ARG  18          1HH2      ARG  18   5.311 -10.068   5.723
  160   HH22  ARG  18          2HH2      ARG  18   6.976  -9.973   6.191
  161    H    LEU  19           H        LEU  19   1.433 -10.650   4.206
  162    HA   LEU  19           HA       LEU  19   1.571 -13.231   5.447
  163    HB2  LEU  19           1HB      LEU  19   0.623 -10.476   6.068
  164    HB3  LEU  19           2HB      LEU  19  -0.048 -11.768   7.067
  165    HG   LEU  19           HG       LEU  19   2.003 -10.911   8.097
  166   HD11  LEU  19          1HD1      LEU  19   1.548 -13.625   7.285
  167   HD12  LEU  19          2HD1      LEU  19   2.347 -13.040   8.744
  168   HD13  LEU  19          3HD1      LEU  19   3.286 -13.321   7.278
  169   HD21  LEU  19          3HD2      LEU  19   3.901 -11.899   6.149
  170   HD22  LEU  19          1HD2      LEU  19   3.770 -10.282   6.842
  171   HD23  LEU  19          2HD2      LEU  19   2.837 -10.703   5.405
  172    H    VAL  20           H        VAL  20  -0.752 -11.700   3.403
  173    HA   VAL  20           HA       VAL  20  -2.923 -13.540   4.352
  174    HB   VAL  20           HB       VAL  20  -2.896 -10.883   3.732
  175   HG11  VAL  20          1HG1      VAL  20  -2.553 -11.256   1.353
  176   HG12  VAL  20          2HG1      VAL  20  -4.199 -10.680   1.608
  177   HG13  VAL  20          3HG1      VAL  20  -3.898 -12.391   1.309
  178   HG21  VAL  20          3HG2      VAL  20  -5.245 -12.768   3.380
  179   HG22  VAL  20          1HG2      VAL  20  -5.334 -11.049   3.767
  180   HG23  VAL  20          2HG2      VAL  20  -4.650 -12.183   4.933
  181    H    THR  21           H        THR  21  -1.040 -12.763   1.458
  182    HA   THR  21           HA       THR  21  -2.441 -14.664  -0.239
  183    HB   THR  21           HB       THR  21   0.267 -13.311  -0.468
  184    HG1  THR  21           HG1      THR  21  -0.941 -11.634  -0.740
  185   HG21  THR  21          3HG2      THR  21  -1.497 -14.679  -2.517
  186   HG22  THR  21          1HG2      THR  21   0.112 -15.186  -2.002
  187   HG23  THR  21          2HG2      THR  21  -0.090 -13.692  -2.916
  188    H    GLY  22           H        GLY  22  -0.499 -15.211   2.380
  189    HA2  GLY  22           1HA      GLY  22  -0.170 -17.963   2.006
  190    HA3  GLY  22           2HA      GLY  22   1.301 -17.231   1.363
  Start of MODEL   10
    1    H1   PHE   1           1H       PHE   1  -0.773  16.721   3.394
    2    H2   PHE   1           2H       PHE   1  -0.908  16.764   5.087
    3    H3   PHE   1           3H       PHE   1  -2.146  16.072   4.151
    4    HA   PHE   1           HA       PHE   1   0.512  14.912   3.816
    5    HB2  PHE   1           1HB      PHE   1  -1.190  14.712   6.323
    6    HB3  PHE   1           2HB      PHE   1   0.172  13.650   5.963
    7    HD1  PHE   1           HD1      PHE   1   2.037  15.595   4.674
    8    HD2  PHE   1           HD2      PHE   1  -0.411  15.958   8.186
    9    HE1  PHE   1           HE1      PHE   1   3.601  17.288   5.590
   10    HE2  PHE   1           HE2      PHE   1   1.153  17.651   9.101
   11    HZ   PHE   1           HZ       PHE   1   3.159  18.316   7.804
   12    H    PHE   2           H        PHE   2  -2.125  15.068   2.407
   13    HA   PHE   2           HA       PHE   2  -3.737  12.769   2.814
   14    HB2  PHE   2           1HB      PHE   2  -3.649  14.936   1.144
   15    HB3  PHE   2           2HB      PHE   2  -3.277  13.622   0.024
   16    HD1  PHE   2           HD1      PHE   2  -5.559  14.443   2.838
   17    HD2  PHE   2           HD2      PHE   2  -5.081  12.449  -0.920
   18    HE1  PHE   2           HE1      PHE   2  -7.969  13.826   2.870
   19    HE2  PHE   2           HE2      PHE   2  -7.485  11.824  -0.903
   20    HZ   PHE   2           HZ       PHE   2  -8.929  12.513   0.994
   21    H    HIS   3           H        HIS   3  -0.596  13.127   1.282
   22    HA   HIS   3           HA       HIS   3  -0.713  10.362   0.191
   23    HB2  HIS   3           1HB      HIS   3   0.161  12.548  -0.958
   24    HB3  HIS   3           2HB      HIS   3   1.608  12.272   0.013
   25    HD1  HIS   3           HD1      HIS   3  -0.606  10.338  -2.422
   26    HD2  HIS   3           HD2      HIS   3   3.357  10.467  -1.136
   27    HE1  HIS   3           HE1      HIS   3   0.664   8.673  -3.847
   28    H    HIS   4           H        HIS   4   0.855  12.268   2.708
   29    HA   HIS   4           HA       HIS   4   2.975  10.541   3.425
   30    HB2  HIS   4           1HB      HIS   4   1.374  12.706   4.586
   31    HB3  HIS   4           2HB      HIS   4   2.037  11.607   5.794
   32    HD1  HIS   4           HD1      HIS   4   4.395  12.080   6.470
   33    HD2  HIS   4           HD2      HIS   4   3.547  13.611   2.687
   34    HE1  HIS   4           HE1      HIS   4   6.469  13.327   5.721
   35    H    ILE   5           H        ILE   5  -0.386  10.097   3.697
   36    HA   ILE   5           HA       ILE   5  -0.024   7.854   5.632
   37    HB   ILE   5           HB       ILE   5  -2.462   9.308   4.642
   38   HG12  ILE   5          1HG1      ILE   5  -0.968  10.860   5.702
   39   HG13  ILE   5          2HG1      ILE   5  -2.275  10.520   6.843
   40   HG21  ILE   5          1HG2      ILE   5  -1.951   7.175   6.662
   41   HG22  ILE   5          2HG2      ILE   5  -3.372   7.437   5.652
   42   HG23  ILE   5          3HG2      ILE   5  -3.126   8.416   7.098
   43   HD11  ILE   5          3HD1      ILE   5  -0.083  10.424   7.966
   44   HD12  ILE   5          1HD1      ILE   5   0.455   9.211   6.805
   45   HD13  ILE   5          2HD1      ILE   5  -0.839   8.830   7.942
   46    H    PHE   6           H        PHE   6  -1.617   8.768   2.595
   47    HA   PHE   6           HA       PHE   6  -2.663   6.267   1.812
   48    HB2  PHE   6           1HB      PHE   6  -1.927   8.799   0.625
   49    HB3  PHE   6           2HB      PHE   6  -1.412   7.495  -0.444
   50    HD1  PHE   6           HD1      PHE   6  -3.261   5.460  -0.462
   51    HD2  PHE   6           HD2      PHE   6  -4.050   9.632   0.177
   52    HE1  PHE   6           HE1      PHE   6  -5.599   5.131  -1.210
   53    HE2  PHE   6           HE2      PHE   6  -6.391   9.303  -0.571
   54    HZ   PHE   6           HZ       PHE   6  -7.167   7.052  -1.265
   55    H    ARG   7           H        ARG   7   0.606   7.510   1.899
   56    HA   ARG   7           HA       ARG   7   1.806   5.151   0.632
   57    HB2  ARG   7           1HB      ARG   7   2.542   7.828   1.630
   58    HB3  ARG   7           2HB      ARG   7   3.770   6.600   1.900
   59    HG2  ARG   7           1HG      ARG   7   3.604   5.966  -0.516
   60    HG3  ARG   7           2HG      ARG   7   2.494   7.318  -0.748
   61    HD2  ARG   7           1HD      ARG   7   4.430   8.463  -1.236
   62    HD3  ARG   7           2HD      ARG   7   4.565   8.574   0.530
   63    HE   ARG   7           HE       ARG   7   5.829   6.378  -1.072
   64   HH11  ARG   7          1HH1      ARG   7   5.300   7.664   2.008
   65   HH12  ARG   7          2HH1      ARG   7   6.946   7.529   2.529
   66   HH21  ARG   7          1HH2      ARG   7   8.132   6.580  -0.587
   67   HH22  ARG   7          2HH2      ARG   7   8.549   6.917   1.061
   68    H    GLY   8           H        GLY   8   1.150   6.483   3.862
   69    HA2  GLY   8           1HA      GLY   8   2.770   4.540   5.291
   70    HA3  GLY   8           2HA      GLY   8   1.490   5.537   5.996
   71    H    ILE   9           H        ILE   9  -0.595   4.666   4.190
   72    HA   ILE   9           HA       ILE   9  -1.286   2.122   5.502
   73    HB   ILE   9           HB       ILE   9  -2.692   3.967   3.548
   74   HG12  ILE   9          1HG1      ILE   9  -3.401   3.518   6.438
   75   HG13  ILE   9          2HG1      ILE   9  -2.111   4.644   6.011
   76   HG21  ILE   9          1HG2      ILE   9  -3.333   1.279   4.478
   77   HG22  ILE   9          2HG2      ILE   9  -4.119   2.247   3.229
   78   HG23  ILE   9          3HG2      ILE   9  -4.586   2.440   4.920
   79   HD11  ILE   9          3HD1      ILE   9  -3.688   5.826   4.491
   80   HD12  ILE   9          1HD1      ILE   9  -4.230   5.853   6.169
   81   HD13  ILE   9          2HD1      ILE   9  -4.975   4.742   5.019
   82    H    VAL  10           H        VAL  10  -0.746   3.308   2.177
   83    HA   VAL  10           HA       VAL  10  -1.340   0.941   0.756
   84    HB   VAL  10           HB       VAL  10   0.556   3.253   0.382
   85   HG11  VAL  10          1HG1      VAL  10   0.201   0.889  -1.486
   86   HG12  VAL  10          2HG1      VAL  10   1.695   1.376  -0.686
   87   HG13  VAL  10          3HG1      VAL  10   0.986   2.404  -1.931
   88   HG21  VAL  10          3HG2      VAL  10  -1.135   4.107  -0.892
   89   HG22  VAL  10          1HG2      VAL  10  -2.136   2.948  -0.017
   90   HG23  VAL  10          2HG2      VAL  10  -1.507   2.543  -1.615
   91    H    HIS  11           H        HIS  11   1.727   1.911   2.312
   92    HA   HIS  11           HA       HIS  11   3.233  -0.399   1.504
   93    HB2  HIS  11           1HB      HIS  11   3.409   1.854   3.411
   94    HB3  HIS  11           2HB      HIS  11   4.357   0.433   3.845
   95    HD1  HIS  11           HD1      HIS  11   6.569   0.211   2.709
   96    HD2  HIS  11           HD2      HIS  11   4.001   2.723   0.595
   97    HE1  HIS  11           HE1      HIS  11   7.913   1.146   0.776
   98    H    VAL  12           H        VAL  12   1.780   0.377   4.677
   99    HA   VAL  12           HA       VAL  12   2.201  -2.099   5.950
  100    HB   VAL  12           HB       VAL  12   0.206  -1.369   7.302
  101   HG11  VAL  12          1HG1      VAL  12   2.411   0.520   6.551
  102   HG12  VAL  12          2HG1      VAL  12   2.163  -0.351   8.064
  103   HG13  VAL  12          3HG1      VAL  12   1.160   1.047   7.677
  104   HG21  VAL  12          3HG2      VAL  12  -0.984   0.634   6.669
  105   HG22  VAL  12          1HG2      VAL  12  -1.067  -0.519   5.337
  106   HG23  VAL  12          2HG2      VAL  12   0.052   0.841   5.257
  107    H    GLY  13           H        GLY  13  -0.329  -1.097   3.683
  108    HA2  GLY  13           1HA      GLY  13  -1.990  -3.415   3.934
  109    HA3  GLY  13           2HA      GLY  13  -1.935  -2.354   2.521
  110    H    LYS  14           H        LYS  14   1.077  -2.852   2.400
  111    HA   LYS  14           HA       LYS  14   0.967  -5.071   0.533
  112    HB2  LYS  14           1HB      LYS  14   2.485  -3.017   0.517
  113    HB3  LYS  14           2HB      LYS  14   3.393  -3.789   1.817
  114    HG2  LYS  14           1HG      LYS  14   2.843  -5.483  -0.556
  115    HG3  LYS  14           2HG      LYS  14   3.971  -4.150  -0.807
  116    HD2  LYS  14           1HD      LYS  14   4.574  -5.421   1.700
  117    HD3  LYS  14           2HD      LYS  14   4.492  -6.651   0.438
  118    HE2  LYS  14           1HE      LYS  14   6.117  -4.088   0.236
  119    HE3  LYS  14           2HE      LYS  14   6.784  -5.688   0.617
  120    HZ1  LYS  14           3HZ      LYS  14   5.340  -6.312  -1.492
  121    HZ2  LYS  14           1HZ      LYS  14   6.944  -5.782  -1.633
  122    HZ3  LYS  14           2HZ      LYS  14   5.665  -4.693  -1.892
  123    H    THR  15           H        THR  15   2.169  -4.645   3.842
  124    HA   THR  15           HA       THR  15   3.337  -7.245   4.147
  125    HB   THR  15           HB       THR  15   2.009  -5.404   6.168
  126    HG1  THR  15           HG1      THR  15   4.462  -5.411   4.845
  127   HG21  THR  15          3HG2      THR  15   2.607  -7.840   6.804
  128   HG22  THR  15          1HG2      THR  15   3.214  -6.549   7.841
  129   HG23  THR  15          2HG2      THR  15   4.285  -7.315   6.667
  130    H    ILE  16           H        ILE  16   0.089  -6.240   3.794
  131    HA   ILE  16           HA       ILE  16  -1.095  -8.473   5.321
  132    HB   ILE  16           HB       ILE  16  -2.437  -6.621   3.339
  133   HG12  ILE  16          1HG1      ILE  16  -1.217  -5.093   4.695
  134   HG13  ILE  16          2HG1      ILE  16  -2.820  -5.160   5.425
  135   HG21  ILE  16          1HG2      ILE  16  -3.837  -8.392   4.228
  136   HG22  ILE  16          2HG2      ILE  16  -4.313  -6.875   4.989
  137   HG23  ILE  16          3HG2      ILE  16  -3.318  -8.031   5.874
  138   HD11  ILE  16          3HD1      ILE  16  -1.992  -6.841   7.050
  139   HD12  ILE  16          1HD1      ILE  16  -1.095  -5.326   7.163
  140   HD13  ILE  16          2HD1      ILE  16  -0.383  -6.714   6.340
  141    H    HIS  17           H        HIS  17  -0.804  -7.534   1.877
  142    HA   HIS  17           HA       HIS  17  -2.108  -9.737   0.724
  143    HB2  HIS  17           1HB      HIS  17   0.320  -8.113   0.023
  144    HB3  HIS  17           2HB      HIS  17  -0.233  -9.402  -1.042
  145    HD1  HIS  17           HD1      HIS  17  -0.382  -6.483  -2.027
  146    HD2  HIS  17           HD2      HIS  17  -3.524  -8.418  -0.087
  147    HE1  HIS  17           HE1      HIS  17  -2.496  -5.254  -2.685
  148    H    ARG  18           H        ARG  18   1.298  -9.496   1.777
  149    HA   ARG  18           HA       ARG  18   1.850 -12.288   1.193
  150    HB2  ARG  18           1HB      ARG  18   3.402 -10.172   1.415
  151    HB3  ARG  18           2HB      ARG  18   3.378 -10.563   3.135
  152    HG2  ARG  18           1HG      ARG  18   3.837 -13.020   1.904
  153    HG3  ARG  18           2HG      ARG  18   4.807 -11.886   0.961
  154    HD2  ARG  18           1HD      ARG  18   4.933 -11.543   3.915
  155    HD3  ARG  18           2HD      ARG  18   5.716 -12.993   3.257
  156    HE   ARG  18           HE       ARG  18   6.419 -10.824   1.575
  157   HH11  ARG  18          1HH1      ARG  18   8.315 -12.713   3.042
  158   HH12  ARG  18          2HH1      ARG  18   9.205 -11.596   4.022
  159   HH21  ARG  18          1HH2      ARG  18   6.931  -9.010   3.605
  160   HH22  ARG  18          2HH2      ARG  18   8.421  -9.500   4.341
  161    H    LEU  19           H        LEU  19   1.186 -10.402   4.131
  162    HA   LEU  19           HA       LEU  19   1.313 -12.598   5.966
  163    HB2  LEU  19           1HB      LEU  19   1.349 -10.227   6.619
  164    HB3  LEU  19           2HB      LEU  19  -0.276 -10.007   5.970
  165    HG   LEU  19           HG       LEU  19   0.170 -12.143   8.022
  166   HD11  LEU  19          1HD1      LEU  19   1.040 -10.576   9.429
  167   HD12  LEU  19          2HD1      LEU  19  -0.630 -10.023   9.548
  168   HD13  LEU  19          3HD1      LEU  19   0.482  -9.232   8.432
  169   HD21  LEU  19          3HD2      LEU  19  -2.014 -11.080   6.630
  170   HD22  LEU  19          1HD2      LEU  19  -2.151 -10.395   8.249
  171   HD23  LEU  19          2HD2      LEU  19  -2.091 -12.144   8.034
  172    H    VAL  20           H        VAL  20  -0.963 -11.700   3.494
  173    HA   VAL  20           HA       VAL  20  -3.040 -13.482   4.744
  174    HB   VAL  20           HB       VAL  20  -3.268 -10.971   3.808
  175   HG11  VAL  20          1HG1      VAL  20  -3.905 -12.790   1.482
  176   HG12  VAL  20          2HG1      VAL  20  -2.663 -11.542   1.521
  177   HG13  VAL  20          3HG1      VAL  20  -4.367 -11.091   1.577
  178   HG21  VAL  20          3HG2      VAL  20  -5.513 -12.884   3.243
  179   HG22  VAL  20          1HG2      VAL  20  -5.575 -11.285   3.986
  180   HG23  VAL  20          2HG2      VAL  20  -4.952 -12.659   4.900
  181    H    THR  21           H        THR  21  -1.201 -12.974   1.774
  182    HA   THR  21           HA       THR  21  -2.333 -14.956   0.124
  183    HB   THR  21           HB       THR  21   0.485 -13.917   0.505
  184    HG1  THR  21           HG1      THR  21  -0.144 -12.470  -0.892
  185   HG21  THR  21          3HG2      THR  21  -0.570 -15.628  -1.763
  186   HG22  THR  21          1HG2      THR  21   0.549 -16.180  -0.516
  187   HG23  THR  21          2HG2      THR  21   1.044 -14.927  -1.652
  188    H    GLY  22           H        GLY  22  -0.539 -15.342   3.060
  189    HA2  GLY  22           1HA      GLY  22  -0.609 -18.289   2.672
  190    HA3  GLY  22           2HA      GLY  22   0.918 -17.543   3.145
  Start of MODEL   11
    1    H1   PHE   1           1H       PHE   1   1.830  14.210   3.800
    2    H2   PHE   1           2H       PHE   1   1.950  13.992   5.481
    3    H3   PHE   1           3H       PHE   1   2.066  15.551   4.813
    4    HA   PHE   1           HA       PHE   1  -0.159  14.819   5.894
    5    HB2  PHE   1           1HB      PHE   1   0.704  16.740   4.185
    6    HB3  PHE   1           2HB      PHE   1  -0.501  15.951   3.167
    7    HD1  PHE   1           HD2      PHE   1  -2.222  14.995   5.588
    8    HD2  PHE   1           HD1      PHE   1  -0.583  18.801   4.458
    9    HE1  PHE   1           HE2      PHE   1  -4.032  16.144   6.834
   10    HE2  PHE   1           HE1      PHE   1  -2.393  19.951   5.705
   11    HZ   PHE   1           HZ       PHE   1  -4.117  18.621   6.893
   12    H    PHE   2           H        PHE   2  -2.061  14.842   3.539
   13    HA   PHE   2           HA       PHE   2  -3.008  12.244   3.507
   14    HB2  PHE   2           1HB      PHE   2  -2.945  14.449   1.449
   15    HB3  PHE   2           2HB      PHE   2  -3.794  12.933   1.134
   16    HD1  PHE   2           HD1      PHE   2  -5.400  12.097   2.953
   17    HD2  PHE   2           HD2      PHE   2  -4.055  16.153   2.646
   18    HE1  PHE   2           HE1      PHE   2  -7.350  12.839   4.306
   19    HE2  PHE   2           HE2      PHE   2  -5.997  16.906   3.996
   20    HZ   PHE   2           HZ       PHE   2  -7.645  15.247   4.827
   21    H    HIS   3           H        HIS   3  -0.238  13.511   1.750
   22    HA   HIS   3           HA       HIS   3   0.096  11.436  -0.177
   23    HB2  HIS   3           1HB      HIS   3   1.326  13.785   0.557
   24    HB3  HIS   3           2HB      HIS   3   2.529  12.585   1.028
   25    HD1  HIS   3           HD1      HIS   3   1.777  14.588  -1.751
   26    HD2  HIS   3           HD2      HIS   3   2.660  10.534  -1.355
   27    HE1  HIS   3           HE1      HIS   3   2.548  13.797  -4.031
   28    H    HIS   4           H        HIS   4   1.331  11.752   3.147
   29    HA   HIS   4           HA       HIS   4   2.738   9.222   3.119
   30    HB2  HIS   4           1HB      HIS   4   2.291  11.506   4.823
   31    HB3  HIS   4           2HB      HIS   4   2.142  10.012   5.747
   32    HD1  HIS   4           HD1      HIS   4   4.302   9.008   6.510
   33    HD2  HIS   4           HD2      HIS   4   4.844  11.515   3.224
   34    HE1  HIS   4           HE1      HIS   4   6.798   9.105   6.087
   35    H    ILE   5           H        ILE   5  -0.496   9.986   3.301
   36    HA   ILE   5           HA       ILE   5  -1.255   7.785   5.071
   37    HB   ILE   5           HB       ILE   5  -2.923   9.459   3.212
   38   HG12  ILE   5          1HG1      ILE   5  -1.586  11.016   4.406
   39   HG13  ILE   5          2HG1      ILE   5  -3.133  10.981   5.260
   40   HG21  ILE   5          1HG2      ILE   5  -3.993   8.910   5.854
   41   HG22  ILE   5          2HG2      ILE   5  -3.538   7.411   5.041
   42   HG23  ILE   5          3HG2      ILE   5  -4.682   8.516   4.278
   43   HD11  ILE   5          3HD1      ILE   5  -1.372  10.858   6.915
   44   HD12  ILE   5          1HD1      ILE   5  -0.566   9.564   6.024
   45   HD13  ILE   5          2HD1      ILE   5  -2.117   9.262   6.811
   46    H    PHE   6           H        PHE   6  -2.076   8.593   1.695
   47    HA   PHE   6           HA       PHE   6  -3.016   6.037   0.926
   48    HB2  PHE   6           1HB      PHE   6  -2.647   8.453  -0.279
   49    HB3  PHE   6           2HB      PHE   6  -1.309   7.554  -0.995
   50    HD1  PHE   6           HD2      PHE   6  -1.719   5.554  -2.369
   51    HD2  PHE   6           HD1      PHE   6  -4.957   7.859  -0.742
   52    HE1  PHE   6           HE2      PHE   6  -3.299   4.419  -3.908
   53    HE2  PHE   6           HE1      PHE   6  -6.538   6.724  -2.280
   54    HZ   PHE   6           HZ       PHE   6  -5.708   5.005  -3.863
   55    H    ARG   7           H        ARG   7   0.229   7.337   1.275
   56    HA   ARG   7           HA       ARG   7   1.542   4.898   0.311
   57    HB2  ARG   7           1HB      ARG   7   2.184   7.649   1.180
   58    HB3  ARG   7           2HB      ARG   7   3.397   6.448   1.600
   59    HG2  ARG   7           1HG      ARG   7   3.665   5.779  -0.684
   60    HG3  ARG   7           2HG      ARG   7   2.234   6.686  -1.177
   61    HD2  ARG   7           1HD      ARG   7   3.903   8.195  -1.795
   62    HD3  ARG   7           2HD      ARG   7   3.625   8.724  -0.123
   63    HE   ARG   7           HE       ARG   7   5.742   6.722  -0.827
   64   HH11  ARG   7          1HH1      ARG   7   4.406   8.343   1.745
   65   HH12  ARG   7          2HH1      ARG   7   5.881   9.050   2.315
   66   HH21  ARG   7          1HH2      ARG   7   7.718   8.112  -0.472
   67   HH22  ARG   7          2HH2      ARG   7   7.755   8.920   1.059
   68    H    GLY   8           H        GLY   8   0.479   6.391   3.330
   69    HA2  GLY   8           1HA      GLY   8   2.014   4.604   5.051
   70    HA3  GLY   8           2HA      GLY   8   0.682   5.650   5.564
   71    H    ILE   9           H        ILE   9  -1.236   4.626   3.646
   72    HA   ILE   9           HA       ILE   9  -2.047   2.188   5.090
   73    HB   ILE   9           HB       ILE   9  -3.275   3.891   2.899
   74   HG12  ILE   9          1HG1      ILE   9  -4.331   3.639   5.691
   75   HG13  ILE   9          2HG1      ILE   9  -2.909   4.647   5.421
   76   HG21  ILE   9          1HG2      ILE   9  -4.866   2.322   2.637
   77   HG22  ILE   9          2HG2      ILE   9  -5.164   2.294   4.375
   78   HG23  ILE   9          3HG2      ILE   9  -3.933   1.243   3.675
   79   HD11  ILE   9          3HD1      ILE   9  -4.858   6.060   5.206
   80   HD12  ILE   9          1HD1      ILE   9  -5.618   4.923   4.094
   81   HD13  ILE   9          2HD1      ILE   9  -4.187   5.824   3.593
   82    H    VAL  10           H        VAL  10  -1.151   3.122   1.766
   83    HA   VAL  10           HA       VAL  10  -1.636   0.616   0.504
   84    HB   VAL  10           HB       VAL  10   0.253   2.929   0.051
   85   HG11  VAL  10          1HG1      VAL  10   1.446   1.031  -0.854
   86   HG12  VAL  10          2HG1      VAL  10   0.705   1.888  -2.205
   87   HG13  VAL  10          3HG1      VAL  10  -0.024   0.400  -1.599
   88   HG21  VAL  10          3HG2      VAL  10  -1.782   2.048  -1.928
   89   HG22  VAL  10          1HG2      VAL  10  -1.360   3.676  -1.398
   90   HG23  VAL  10          2HG2      VAL  10  -2.410   2.668  -0.403
   91    H    HIS  11           H        HIS  11   1.363   1.868   2.012
   92    HA   HIS  11           HA       HIS  11   2.971  -0.447   1.572
   93    HB2  HIS  11           1HB      HIS  11   2.914   1.866   3.483
   94    HB3  HIS  11           2HB      HIS  11   4.085   0.571   3.733
   95    HD1  HIS  11           HD1      HIS  11   6.226   0.871   2.502
   96    HD2  HIS  11           HD2      HIS  11   3.087   2.850   0.602
   97    HE1  HIS  11           HE1      HIS  11   7.236   2.076   0.515
   98    H    VAL  12           H        VAL  12   1.322   0.552   4.582
   99    HA   VAL  12           HA       VAL  12   1.743  -1.772   6.101
  100    HB   VAL  12           HB       VAL  12  -0.366  -1.017   7.245
  101   HG11  VAL  12          1HG1      VAL  12   1.761   0.938   6.422
  102   HG12  VAL  12          2HG1      VAL  12   1.512   0.172   7.990
  103   HG13  VAL  12          3HG1      VAL  12   0.432   1.460   7.457
  104   HG21  VAL  12          3HG2      VAL  12  -1.556   0.908   6.325
  105   HG22  VAL  12          1HG2      VAL  12  -1.603  -0.448   5.199
  106   HG23  VAL  12          2HG2      VAL  12  -0.495   0.894   4.917
  107    H    GLY  13           H        GLY  13  -0.731  -1.090   3.649
  108    HA2  GLY  13           1HA      GLY  13  -2.237  -3.503   4.004
  109    HA3  GLY  13           2HA      GLY  13  -2.236  -2.510   2.546
  110    H    LYS  14           H        LYS  14   0.778  -2.791   2.369
  111    HA   LYS  14           HA       LYS  14   0.784  -5.169   0.700
  112    HB2  LYS  14           1HB      LYS  14   2.159  -3.348   0.033
  113    HB3  LYS  14           2HB      LYS  14   2.830  -3.163   1.652
  114    HG2  LYS  14           1HG      LYS  14   4.506  -4.231   0.274
  115    HG3  LYS  14           2HG      LYS  14   3.881  -5.434   1.402
  116    HD2  LYS  14           1HD      LYS  14   3.394  -6.737  -0.366
  117    HD3  LYS  14           2HD      LYS  14   2.175  -5.551  -0.833
  118    HE2  LYS  14           1HE      LYS  14   3.980  -4.273  -2.050
  119    HE3  LYS  14           2HE      LYS  14   5.078  -5.630  -1.722
  120    HZ1  LYS  14           3HZ      LYS  14   3.822  -5.779  -3.877
  121    HZ2  LYS  14           1HZ      LYS  14   2.405  -5.971  -2.965
  122    HZ3  LYS  14           2HZ      LYS  14   3.651  -7.121  -2.849
  123    H    THR  15           H        THR  15   2.165  -4.338   3.865
  124    HA   THR  15           HA       THR  15   3.593  -6.744   4.348
  125    HB   THR  15           HB       THR  15   2.008  -5.117   6.360
  126    HG1  THR  15           HG1      THR  15   4.093  -3.928   6.392
  127   HG21  THR  15          3HG2      THR  15   4.608  -5.747   7.254
  128   HG22  THR  15          1HG2      THR  15   3.982  -7.219   6.512
  129   HG23  THR  15          2HG2      THR  15   3.088  -6.442   7.820
  130    H    ILE  16           H        ILE  16   0.203  -6.129   4.116
  131    HA   ILE  16           HA       ILE  16  -0.597  -8.513   5.674
  132    HB   ILE  16           HB       ILE  16  -1.928  -6.264   4.177
  133   HG12  ILE  16          1HG1      ILE  16  -3.199  -6.604   6.572
  134   HG13  ILE  16          2HG1      ILE  16  -1.588  -7.207   6.960
  135   HG21  ILE  16          1HG2      ILE  16  -3.149  -8.919   4.935
  136   HG22  ILE  16          2HG2      ILE  16  -3.311  -8.028   3.423
  137   HG23  ILE  16          3HG2      ILE  16  -4.127  -7.452   4.876
  138   HD11  ILE  16          3HD1      ILE  16  -1.813  -4.644   5.431
  139   HD12  ILE  16          1HD1      ILE  16  -0.576  -5.158   6.578
  140   HD13  ILE  16          2HD1      ILE  16  -2.152  -4.621   7.161
  141    H    HIS  17           H        HIS  17  -0.725  -7.488   2.232
  142    HA   HIS  17           HA       HIS  17  -1.868  -9.716   1.059
  143    HB2  HIS  17           1HB      HIS  17   0.521  -8.035   0.354
  144    HB3  HIS  17           2HB      HIS  17  -0.071  -9.281  -0.738
  145    HD1  HIS  17           HD1      HIS  17  -2.703  -7.651   1.243
  146    HD2  HIS  17           HD2      HIS  17  -0.891  -7.024  -2.459
  147    HE1  HIS  17           HE1      HIS  17  -4.205  -6.058  -0.029
  148    H    ARG  18           H        ARG  18   1.487  -9.438   2.241
  149    HA   ARG  18           HA       ARG  18   2.185 -12.145   1.448
  150    HB2  ARG  18           1HB      ARG  18   3.675 -10.057   1.872
  151    HB3  ARG  18           2HB      ARG  18   3.517 -10.468   3.579
  152    HG2  ARG  18           1HG      ARG  18   4.171 -12.812   1.987
  153    HG3  ARG  18           2HG      ARG  18   5.376 -11.539   1.784
  154    HD2  ARG  18           1HD      ARG  18   4.765 -11.575   4.545
  155    HD3  ARG  18           2HD      ARG  18   4.969 -13.271   4.060
  156    HE   ARG  18           HE       ARG  18   7.080 -12.203   2.799
  157   HH11  ARG  18          1HH1      ARG  18   7.705 -13.474   5.364
  158   HH12  ARG  18          2HH1      ARG  18   8.389 -12.184   6.294
  159   HH21  ARG  18          1HH2      ARG  18   7.143  -9.685   4.239
  160   HH22  ARG  18          2HH2      ARG  18   8.071 -10.039   5.658
  161    H    LEU  19           H        LEU  19   1.473 -10.568   4.562
  162    HA   LEU  19           HA       LEU  19   1.496 -12.979   6.117
  163    HB2  LEU  19           1HB      LEU  19   0.395 -10.190   6.340
  164    HB3  LEU  19           2HB      LEU  19  -0.084 -11.391   7.539
  165    HG   LEU  19           HG       LEU  19   1.982 -10.013   8.123
  166   HD11  LEU  19          1HD1      LEU  19   1.859 -11.880   9.465
  167   HD12  LEU  19          2HD1      LEU  19   3.309 -12.305   8.556
  168   HD13  LEU  19          3HD1      LEU  19   1.750 -12.986   8.095
  169   HD21  LEU  19          3HD2      LEU  19   2.868 -10.171   5.731
  170   HD22  LEU  19          1HD2      LEU  19   3.313 -11.835   6.103
  171   HD23  LEU  19          2HD2      LEU  19   4.043 -10.505   7.002
  172    H    VAL  20           H        VAL  20  -0.670 -11.716   3.747
  173    HA   VAL  20           HA       VAL  20  -2.919 -13.408   4.794
  174    HB   VAL  20           HB       VAL  20  -2.847 -10.840   3.911
  175   HG11  VAL  20          1HG1      VAL  20  -3.674 -12.571   1.575
  176   HG12  VAL  20          2HG1      VAL  20  -2.325 -11.439   1.613
  177   HG13  VAL  20          3HG1      VAL  20  -3.981 -10.839   1.686
  178   HG21  VAL  20          3HG2      VAL  20  -5.267 -10.984   3.828
  179   HG22  VAL  20          1HG2      VAL  20  -4.689 -12.074   5.090
  180   HG23  VAL  20          2HG2      VAL  20  -5.190 -12.721   3.527
  181    H    THR  21           H        THR  21  -0.857 -12.967   1.960
  182    HA   THR  21           HA       THR  21  -2.154 -14.915   0.289
  183    HB   THR  21           HB       THR  21   0.625 -13.720   0.438
  184    HG1  THR  21           HG1      THR  21  -0.235 -12.267  -0.804
  185   HG21  THR  21          3HG2      THR  21  -0.438 -15.910  -1.252
  186   HG22  THR  21          1HG2      THR  21   1.226 -15.539  -0.804
  187   HG23  THR  21          2HG2      THR  21   0.443 -14.641  -2.104
  188    H    GLY  22           H        GLY  22  -0.427 -15.310   3.171
  189    HA2  GLY  22           1HA      GLY  22  -0.594 -17.943   3.623
  190    HA3  GLY  22           2HA      GLY  22   0.703 -17.942   2.427
  Start of MODEL   12
    1    H1   PHE   1           1H       PHE   1   2.487  15.477   6.998
    2    H2   PHE   1           2H       PHE   1   0.939  15.407   6.302
    3    H3   PHE   1           3H       PHE   1   2.274  15.880   5.365
    4    HA   PHE   1           HA       PHE   1   3.114  13.739   5.203
    5    HB2  PHE   1           1HB      PHE   1   2.211  12.016   6.893
    6    HB3  PHE   1           2HB      PHE   1   3.239  13.293   7.544
    7    HD1  PHE   1           HD1      PHE   1  -0.279  12.185   7.117
    8    HD2  PHE   1           HD2      PHE   1   2.384  14.936   9.064
    9    HE1  PHE   1           HE1      PHE   1  -2.118  12.902   8.619
   10    HE2  PHE   1           HE2      PHE   1   0.545  15.652  10.566
   11    HZ   PHE   1           HZ       PHE   1  -1.706  14.636  10.344
   12    H    PHE   2           H        PHE   2   0.633  15.111   4.182
   13    HA   PHE   2           HA       PHE   2  -1.660  13.569   3.967
   14    HB2  PHE   2           1HB      PHE   2  -0.812  15.797   2.851
   15    HB3  PHE   2           2HB      PHE   2  -0.403  14.734   1.503
   16    HD1  PHE   2           HD1      PHE   2  -3.160  15.526   3.863
   17    HD2  PHE   2           HD2      PHE   2  -2.078  14.172  -0.054
   18    HE1  PHE   2           HE1      PHE   2  -5.558  15.530   3.207
   19    HE2  PHE   2           HE2      PHE   2  -4.468  14.170  -0.721
   20    HZ   PHE   2           HZ       PHE   2  -6.210  14.851   0.910
   21    H    HIS   3           H        HIS   3   1.021  13.336   1.618
   22    HA   HIS   3           HA       HIS   3   0.156  10.956   0.345
   23    HB2  HIS   3           1HB      HIS   3   2.289  12.776   0.242
   24    HB3  HIS   3           2HB      HIS   3   3.049  11.212   0.533
   25    HD1  HIS   3           HD1      HIS   3   1.184   9.367  -1.041
   26    HD2  HIS   3           HD2      HIS   3   2.544  13.020  -2.516
   27    HE1  HIS   3           HE1      HIS   3   1.004   9.232  -3.564
   28    H    HIS   4           H        HIS   4   2.060  11.437   3.286
   29    HA   HIS   4           HA       HIS   4   3.050   8.819   3.663
   30    HB2  HIS   4           1HB      HIS   4   2.586  11.253   5.185
   31    HB3  HIS   4           2HB      HIS   4   2.381   9.813   6.182
   32    HD1  HIS   4           HD1      HIS   4   4.645  10.392   7.418
   33    HD2  HIS   4           HD2      HIS   4   5.047   9.590   3.348
   34    HE1  HIS   4           HE1      HIS   4   7.118  10.031   7.001
   35    H    ILE   5           H        ILE   5  -0.145   9.939   3.723
   36    HA   ILE   5           HA       ILE   5  -1.123   7.717   5.384
   37    HB   ILE   5           HB       ILE   5  -2.566   9.791   3.755
   38   HG12  ILE   5          1HG1      ILE   5  -1.021  10.971   5.118
   39   HG13  ILE   5          2HG1      ILE   5  -2.571  11.074   5.960
   40   HG21  ILE   5          1HG2      ILE   5  -4.460   9.062   4.780
   41   HG22  ILE   5          2HG2      ILE   5  -3.664   8.986   6.352
   42   HG23  ILE   5          3HG2      ILE   5  -3.521   7.636   5.224
   43   HD11  ILE   5          3HD1      ILE   5  -0.256   9.214   6.554
   44   HD12  ILE   5          1HD1      ILE   5  -1.852   9.036   7.286
   45   HD13  ILE   5          2HD1      ILE   5  -0.898  10.486   7.598
   46    H    PHE   6           H        PHE   6  -1.722   8.954   2.093
   47    HA   PHE   6           HA       PHE   6  -3.092   6.686   1.081
   48    HB2  PHE   6           1HB      PHE   6  -1.523   8.977   0.048
   49    HB3  PHE   6           2HB      PHE   6  -1.558   7.586  -1.034
   50    HD1  PHE   6           HD1      PHE   6  -4.091   6.388  -0.839
   51    HD2  PHE   6           HD2      PHE   6  -3.127  10.561  -0.533
   52    HE1  PHE   6           HE1      PHE   6  -6.393   6.970  -1.540
   53    HE2  PHE   6           HE2      PHE   6  -5.431  11.144  -1.235
   54    HZ   PHE   6           HZ       PHE   6  -7.067   9.350  -1.739
   55    H    ARG   7           H        ARG   7   0.353   7.380   1.468
   56    HA   ARG   7           HA       ARG   7   1.200   4.801   0.376
   57    HB2  ARG   7           1HB      ARG   7   2.333   7.324   1.407
   58    HB3  ARG   7           2HB      ARG   7   3.289   5.897   1.783
   59    HG2  ARG   7           1HG      ARG   7   2.563   5.499  -0.866
   60    HG3  ARG   7           2HG      ARG   7   2.888   7.230  -0.782
   61    HD2  ARG   7           1HD      ARG   7   4.908   5.765   0.700
   62    HD3  ARG   7           2HD      ARG   7   4.813   5.184  -0.975
   63    HE   ARG   7           HE       ARG   7   5.138   7.506  -1.731
   64   HH11  ARG   7          1HH1      ARG   7   4.774   7.454   1.641
   65   HH12  ARG   7          2HH1      ARG   7   6.009   8.628   1.953
   66   HH21  ARG   7          1HH2      ARG   7   7.070   8.778  -1.345
   67   HH22  ARG   7          2HH2      ARG   7   7.308   9.378   0.262
   68    H    GLY   8           H        GLY   8   0.348   6.245   3.479
   69    HA2  GLY   8           1HA      GLY   8   1.537   4.132   5.098
   70    HA3  GLY   8           2HA      GLY   8   0.354   5.324   5.653
   71    H    ILE   9           H        ILE   9  -1.657   4.751   3.684
   72    HA   ILE   9           HA       ILE   9  -2.826   2.338   4.905
   73    HB   ILE   9           HB       ILE   9  -3.698   4.553   3.049
   74   HG12  ILE   9          1HG1      ILE   9  -5.237   5.057   4.847
   75   HG13  ILE   9          2HG1      ILE   9  -4.848   3.545   5.668
   76   HG21  ILE   9          1HG2      ILE   9  -4.903   1.857   3.386
   77   HG22  ILE   9          2HG2      ILE   9  -5.018   2.981   2.032
   78   HG23  ILE   9          3HG2      ILE   9  -6.016   3.224   3.465
   79   HD11  ILE   9          3HD1      ILE   9  -3.678   5.502   6.676
   80   HD12  ILE   9          1HD1      ILE   9  -2.864   5.777   5.136
   81   HD13  ILE   9          2HD1      ILE   9  -2.555   4.298   6.046
   82    H    VAL  10           H        VAL  10  -1.743   3.423   1.690
   83    HA   VAL  10           HA       VAL  10  -2.562   1.111   0.219
   84    HB   VAL  10           HB       VAL  10  -0.383   3.185  -0.083
   85   HG11  VAL  10          1HG1      VAL  10   0.403   1.146  -1.198
   86   HG12  VAL  10          2HG1      VAL  10  -0.087   2.340  -2.401
   87   HG13  VAL  10          3HG1      VAL  10  -1.147   0.981  -2.025
   88   HG21  VAL  10          3HG2      VAL  10  -2.717   2.750  -1.921
   89   HG22  VAL  10          1HG2      VAL  10  -1.879   4.249  -1.522
   90   HG23  VAL  10          2HG2      VAL  10  -2.993   3.526  -0.362
   91    H    HIS  11           H        HIS  11   0.318   1.757   2.182
   92    HA   HIS  11           HA       HIS  11   1.700  -0.680   1.345
   93    HB2  HIS  11           1HB      HIS  11   2.086   1.610   3.198
   94    HB3  HIS  11           2HB      HIS  11   2.956   0.129   3.592
   95    HD1  HIS  11           HD1      HIS  11   5.244   0.206   2.628
   96    HD2  HIS  11           HD2      HIS  11   2.465   2.000   0.090
   97    HE1  HIS  11           HE1      HIS  11   6.523   0.937   0.568
   98    H    VAL  12           H        VAL  12   0.161   0.388   4.393
   99    HA   VAL  12           HA       VAL  12   0.441  -1.906   5.945
  100    HB   VAL  12           HB       VAL  12  -1.772  -1.149   6.922
  101   HG11  VAL  12          1HG1      VAL  12   0.533   0.668   6.357
  102   HG12  VAL  12          2HG1      VAL  12  -0.018   0.008   7.897
  103   HG13  VAL  12          3HG1      VAL  12  -0.892   1.343   7.147
  104   HG21  VAL  12          3HG2      VAL  12  -2.903   0.730   5.934
  105   HG22  VAL  12          1HG2      VAL  12  -2.720  -0.504   4.687
  106   HG23  VAL  12          2HG2      VAL  12  -1.646   0.895   4.710
  107    H    GLY  13           H        GLY  13  -1.823  -1.324   3.279
  108    HA2  GLY  13           1HA      GLY  13  -3.332  -3.756   3.624
  109    HA3  GLY  13           2HA      GLY  13  -3.269  -2.794   2.146
  110    H    LYS  14           H        LYS  14  -0.390  -2.889   1.881
  111    HA   LYS  14           HA       LYS  14  -0.138  -5.431   0.496
  112    HB2  LYS  14           1HB      LYS  14   0.977  -3.592  -0.474
  113    HB3  LYS  14           2HB      LYS  14   1.593  -3.033   1.081
  114    HG2  LYS  14           1HG      LYS  14   3.313  -4.134  -0.435
  115    HG3  LYS  14           2HG      LYS  14   3.191  -4.818   1.186
  116    HD2  LYS  14           1HD      LYS  14   2.724  -6.830   0.300
  117    HD3  LYS  14           2HD      LYS  14   1.285  -6.155  -0.465
  118    HE2  LYS  14           1HE      LYS  14   2.492  -5.579  -2.455
  119    HE3  LYS  14           2HE      LYS  14   4.055  -5.887  -1.672
  120    HZ1  LYS  14           3HZ      LYS  14   2.021  -8.009  -1.702
  121    HZ2  LYS  14           1HZ      LYS  14   3.711  -8.142  -1.647
  122    HZ3  LYS  14           2HZ      LYS  14   2.941  -7.739  -3.105
  123    H    THR  15           H        THR  15   1.095  -4.066   3.522
  124    HA   THR  15           HA       THR  15   2.957  -6.051   4.264
  125    HB   THR  15           HB       THR  15   0.931  -4.527   5.942
  126    HG1  THR  15           HG1      THR  15   2.503  -2.980   6.034
  127   HG21  THR  15          3HG2      THR  15   2.946  -4.765   7.610
  128   HG22  THR  15          1HG2      THR  15   3.362  -6.156   6.609
  129   HG23  THR  15          2HG2      THR  15   1.803  -6.095   7.430
  130    H    ILE  16           H        ILE  16  -0.495  -6.214   3.954
  131    HA   ILE  16           HA       ILE  16  -0.782  -8.644   5.613
  132    HB   ILE  16           HB       ILE  16  -2.574  -6.939   3.869
  133   HG12  ILE  16          1HG1      ILE  16  -3.405  -7.444   6.602
  134   HG13  ILE  16          2HG1      ILE  16  -1.754  -6.822   6.560
  135   HG21  ILE  16          1HG2      ILE  16  -3.062  -9.645   5.080
  136   HG22  ILE  16          2HG2      ILE  16  -3.577  -9.017   3.514
  137   HG23  ILE  16          3HG2      ILE  16  -4.387  -8.484   4.987
  138   HD11  ILE  16          3HD1      ILE  16  -2.844  -4.806   6.479
  139   HD12  ILE  16          1HD1      ILE  16  -4.295  -5.501   5.759
  140   HD13  ILE  16          2HD1      ILE  16  -2.883  -5.170   4.755
  141    H    HIS  17           H        HIS  17  -0.800  -7.798   2.136
  142    HA   HIS  17           HA       HIS  17  -1.495 -10.268   1.032
  143    HB2  HIS  17           1HB      HIS  17   0.558  -8.181   0.342
  144    HB3  HIS  17           2HB      HIS  17   0.290  -9.573  -0.701
  145    HD1  HIS  17           HD1      HIS  17  -2.650  -8.204   1.112
  146    HD2  HIS  17           HD2      HIS  17  -0.920  -7.807  -2.661
  147    HE1  HIS  17           HE1      HIS  17  -4.372  -7.055  -0.349
  148    H    ARG  18           H        ARG  18   1.734  -9.253   2.198
  149    HA   ARG  18           HA       ARG  18   2.909 -11.861   1.699
  150    HB2  ARG  18           1HB      ARG  18   3.937  -9.441   1.932
  151    HB3  ARG  18           2HB      ARG  18   3.957  -9.826   3.652
  152    HG2  ARG  18           1HG      ARG  18   5.195 -11.945   3.092
  153    HG3  ARG  18           2HG      ARG  18   5.306 -11.378   1.426
  154    HD2  ARG  18           1HD      ARG  18   6.512  -9.352   2.191
  155    HD3  ARG  18           2HD      ARG  18   6.423  -9.943   3.863
  156    HE   ARG  18           HE       ARG  18   7.631 -11.715   1.797
  157   HH11  ARG  18          1HH1      ARG  18   7.513 -11.364   5.035
  158   HH12  ARG  18          2HH1      ARG  18   9.220 -11.242   5.309
  159   HH21  ARG  18          1HH2      ARG  18  10.001 -10.858   1.953
  160   HH22  ARG  18          2HH2      ARG  18  10.628 -10.956   3.564
  161    H    LEU  19           H        LEU  19   1.682 -10.136   4.545
  162    HA   LEU  19           HA       LEU  19   2.242 -12.220   6.443
  163    HB2  LEU  19           1HB      LEU  19   0.585  -9.756   6.216
  164    HB3  LEU  19           2HB      LEU  19   0.089 -10.909   7.455
  165    HG   LEU  19           HG       LEU  19   1.695  -9.297   8.386
  166   HD11  LEU  19          1HD1      LEU  19   3.597 -11.409   8.441
  167   HD12  LEU  19          2HD1      LEU  19   2.004 -12.156   8.333
  168   HD13  LEU  19          3HD1      LEU  19   2.366 -11.038   9.648
  169   HD21  LEU  19          3HD2      LEU  19   4.052 -10.239   6.984
  170   HD22  LEU  19          1HD2      LEU  19   3.475  -8.585   7.194
  171   HD23  LEU  19          2HD2      LEU  19   2.889  -9.559   5.846
  172    H    VAL  20           H        VAL  20  -0.054 -11.858   3.881
  173    HA   VAL  20           HA       VAL  20  -1.782 -14.015   5.058
  174    HB   VAL  20           HB       VAL  20  -2.435 -11.620   3.975
  175   HG11  VAL  20          1HG1      VAL  20  -1.659 -12.166   1.742
  176   HG12  VAL  20          2HG1      VAL  20  -3.421 -12.112   1.727
  177   HG13  VAL  20          3HG1      VAL  20  -2.585 -13.663   1.753
  178   HG21  VAL  20          3HG2      VAL  20  -4.120 -14.113   3.642
  179   HG22  VAL  20          1HG2      VAL  20  -4.694 -12.462   3.872
  180   HG23  VAL  20          2HG2      VAL  20  -3.875 -13.302   5.189
  181    H    THR  21           H        THR  21   0.097 -13.215   2.168
  182    HA   THR  21           HA       THR  21  -0.489 -15.513   0.610
  183    HB   THR  21           HB       THR  21   2.004 -13.813   0.924
  184    HG1  THR  21           HG1      THR  21   1.150 -12.763  -0.852
  185   HG21  THR  21          3HG2      THR  21   2.872 -15.669  -0.175
  186   HG22  THR  21          1HG2      THR  21   2.297 -14.710  -1.538
  187   HG23  THR  21          2HG2      THR  21   1.334 -16.062  -0.941
  188    H    GLY  22           H        GLY  22   1.201 -15.258   3.598
  189    HA2  GLY  22           1HA      GLY  22   2.911 -17.593   3.211
  190    HA3  GLY  22           2HA      GLY  22   2.631 -16.756   4.738
  Start of MODEL   13
    1    H1   PHE   1           1H       PHE   1   1.603  14.665   3.114
    2    H2   PHE   1           2H       PHE   1   1.092  16.283   3.189
    3    H3   PHE   1           3H       PHE   1   0.369  15.211   2.086
    4    HA   PHE   1           HA       PHE   1   0.247  14.674   4.992
    5    HB2  PHE   1           1HB      PHE   1  -0.884  16.878   3.436
    6    HB3  PHE   1           2HB      PHE   1  -2.131  15.918   4.233
    7    HD1  PHE   1           HD1      PHE   1  -1.264  15.109   6.733
    8    HD2  PHE   1           HD2      PHE   1  -0.158  18.709   4.669
    9    HE1  PHE   1           HE1      PHE   1  -0.710  16.179   8.900
   10    HE2  PHE   1           HE2      PHE   1   0.397  19.780   6.835
   11    HZ   PHE   1           HZ       PHE   1   0.121  18.516   8.951
   12    H    PHE   2           H        PHE   2  -2.120  14.952   2.344
   13    HA   PHE   2           HA       PHE   2  -3.472  12.522   2.932
   14    HB2  PHE   2           1HB      PHE   2  -3.179  14.222   0.440
   15    HB3  PHE   2           2HB      PHE   2  -4.314  12.875   0.558
   16    HD1  PHE   2           HD1      PHE   2  -5.885  12.841   2.580
   17    HD2  PHE   2           HD2      PHE   2  -3.831  16.349   1.227
   18    HE1  PHE   2           HE1      PHE   2  -7.532  14.263   3.785
   19    HE2  PHE   2           HE2      PHE   2  -5.468  17.779   2.425
   20    HZ   PHE   2           HZ       PHE   2  -7.320  16.735   3.705
   21    H    HIS   3           H        HIS   3  -0.518  13.127   1.174
   22    HA   HIS   3           HA       HIS   3  -0.540  10.488  -0.155
   23    HB2  HIS   3           1HB      HIS   3   0.356  12.786  -1.006
   24    HB3  HIS   3           2HB      HIS   3   1.756  12.436   0.007
   25    HD1  HIS   3           HD1      HIS   3  -0.118   9.720  -1.805
   26    HD2  HIS   3           HD2      HIS   3   3.464  11.823  -2.173
   27    HE1  HIS   3           HE1      HIS   3   1.236   8.524  -3.579
   28    H    HIS   4           H        HIS   4   0.974  12.093   2.599
   29    HA   HIS   4           HA       HIS   4   2.991  10.143   3.157
   30    HB2  HIS   4           1HB      HIS   4   1.791  12.505   4.314
   31    HB3  HIS   4           2HB      HIS   4   2.098  11.297   5.561
   32    HD1  HIS   4           HD1      HIS   4   4.218  12.221   6.606
   33    HD2  HIS   4           HD2      HIS   4   4.478  11.958   2.454
   34    HE1  HIS   4           HE1      HIS   4   6.624  12.737   6.006
   35    H    ILE   5           H        ILE   5  -0.356   9.953   3.354
   36    HA   ILE   5           HA       ILE   5  -0.259   7.781   5.392
   37    HB   ILE   5           HB       ILE   5  -2.551   9.269   4.141
   38   HG12  ILE   5          1HG1      ILE   5  -1.071  10.846   5.177
   39   HG13  ILE   5          2HG1      ILE   5  -2.455  10.636   6.259
   40   HG21  ILE   5          1HG2      ILE   5  -2.907   8.372   6.877
   41   HG22  ILE   5          2HG2      ILE   5  -2.466   7.017   5.837
   42   HG23  ILE   5          3HG2      ILE   5  -3.884   7.995   5.458
   43   HD11  ILE   5          3HD1      ILE   5  -0.320  10.561   7.505
   44   HD12  ILE   5          1HD1      ILE   5   0.217   9.225   6.485
   45   HD13  ILE   5          2HD1      ILE   5  -1.151   9.006   7.576
   46    H    PHE   6           H        PHE   6  -1.697   8.605   2.244
   47    HA   PHE   6           HA       PHE   6  -2.727   6.077   1.523
   48    HB2  PHE   6           1HB      PHE   6  -2.085   8.567   0.296
   49    HB3  PHE   6           2HB      PHE   6  -1.330   7.316  -0.692
   50    HD1  PHE   6           HD2      PHE   6  -2.937   5.104  -0.887
   51    HD2  PHE   6           HD1      PHE   6  -4.235   9.163  -0.354
   52    HE1  PHE   6           HE2      PHE   6  -5.139   4.528  -1.864
   53    HE2  PHE   6           HE1      PHE   6  -6.439   8.586  -1.333
   54    HZ   PHE   6           HZ       PHE   6  -6.893   6.268  -2.087
   55    H    ARG   7           H        ARG   7   0.549   7.330   1.591
   56    HA   ARG   7           HA       ARG   7   1.763   4.923   0.453
   57    HB2  ARG   7           1HB      ARG   7   2.489   7.626   1.383
   58    HB3  ARG   7           2HB      ARG   7   3.705   6.401   1.721
   59    HG2  ARG   7           1HG      ARG   7   3.086   5.733  -0.825
   60    HG3  ARG   7           2HG      ARG   7   2.776   7.469  -0.881
   61    HD2  ARG   7           1HD      ARG   7   5.330   6.373   0.311
   62    HD3  ARG   7           2HD      ARG   7   5.186   6.732  -1.421
   63    HE   ARG   7           HE       ARG   7   4.540   9.069  -0.750
   64   HH11  ARG   7          1HH1      ARG   7   4.165   8.365   2.192
   65   HH12  ARG   7          2HH1      ARG   7   5.606   9.033   2.883
   66   HH21  ARG   7          1HH2      ARG   7   7.239   9.344  -0.160
   67   HH22  ARG   7          2HH2      ARG   7   7.346   9.587   1.551
   68    H    GLY   8           H        GLY   8   1.018   6.335   3.626
   69    HA2  GLY   8           1HA      GLY   8   2.593   4.408   5.135
   70    HA3  GLY   8           2HA      GLY   8   1.324   5.450   5.794
   71    H    ILE   9           H        ILE   9  -0.802   4.622   4.102
   72    HA   ILE   9           HA       ILE   9  -1.574   2.124   5.423
   73    HB   ILE   9           HB       ILE   9  -2.887   3.886   3.329
   74   HG12  ILE   9          1HG1      ILE   9  -3.705   3.766   6.207
   75   HG13  ILE   9          2HG1      ILE   9  -2.260   4.687   5.791
   76   HG21  ILE   9          1HG2      ILE   9  -3.602   1.303   4.356
   77   HG22  ILE   9          2HG2      ILE   9  -4.491   2.313   3.217
   78   HG23  ILE   9          3HG2      ILE   9  -4.763   2.489   4.951
   79   HD11  ILE   9          3HD1      ILE   9  -4.584   5.892   5.760
   80   HD12  ILE   9          1HD1      ILE   9  -4.788   5.075   4.210
   81   HD13  ILE   9          2HD1      ILE   9  -3.445   6.193   4.447
   82    H    VAL  10           H        VAL  10  -0.787   3.155   2.102
   83    HA   VAL  10           HA       VAL  10  -1.458   0.749   0.753
   84    HB   VAL  10           HB       VAL  10   0.525   2.980   0.350
   85   HG11  VAL  10          1HG1      VAL  10   0.628   1.775  -2.055
   86   HG12  VAL  10          2HG1      VAL  10   0.455   0.344  -1.039
   87   HG13  VAL  10          3HG1      VAL  10   1.808   1.446  -0.787
   88   HG21  VAL  10          3HG2      VAL  10  -1.024   3.764  -1.172
   89   HG22  VAL  10          1HG2      VAL  10  -2.113   2.862  -0.118
   90   HG23  VAL  10          2HG2      VAL  10  -1.551   2.143  -1.627
   91    H    HIS  11           H        HIS  11   1.872   1.708   1.683
   92    HA   HIS  11           HA       HIS  11   3.190  -0.703   1.320
   93    HB2  HIS  11           1HB      HIS  11   3.385   1.598   3.193
   94    HB3  HIS  11           2HB      HIS  11   4.331   0.169   3.605
   95    HD1  HIS  11           HD1      HIS  11   6.581   0.104   2.548
   96    HD2  HIS  11           HD2      HIS  11   3.890   2.322   0.263
   97    HE1  HIS  11           HE1      HIS  11   7.890   1.005   0.576
   98    H    VAL  12           H        VAL  12   1.919   0.269   4.513
   99    HA   VAL  12           HA       VAL  12   2.113  -2.189   5.831
  100    HB   VAL  12           HB       VAL  12   0.144  -1.284   7.152
  101   HG11  VAL  12          1HG1      VAL  12   2.315   0.706   6.448
  102   HG12  VAL  12          2HG1      VAL  12   2.467  -0.590   7.634
  103   HG13  VAL  12          3HG1      VAL  12   1.331   0.731   7.911
  104   HG21  VAL  12          3HG2      VAL  12  -1.189  -0.241   5.514
  105   HG22  VAL  12          1HG2      VAL  12   0.176   0.664   4.864
  106   HG23  VAL  12          2HG2      VAL  12  -0.491   1.088   6.440
  107    H    GLY  13           H        GLY  13  -0.480  -1.025   3.686
  108    HA2  GLY  13           1HA      GLY  13  -2.301  -3.156   3.965
  109    HA3  GLY  13           2HA      GLY  13  -2.079  -2.243   2.468
  110    H    LYS  14           H        LYS  14   0.815  -3.002   2.378
  111    HA   LYS  14           HA       LYS  14   0.498  -5.467   0.860
  112    HB2  LYS  14           1HB      LYS  14   2.126  -3.405   0.626
  113    HB3  LYS  14           2HB      LYS  14   3.123  -4.309   1.766
  114    HG2  LYS  14           1HG      LYS  14   2.160  -6.096  -0.273
  115    HG3  LYS  14           2HG      LYS  14   2.925  -4.700  -1.034
  116    HD2  LYS  14           1HD      LYS  14   4.352  -5.838   1.302
  117    HD3  LYS  14           2HD      LYS  14   4.322  -6.842  -0.146
  118    HE2  LYS  14           1HE      LYS  14   4.909  -4.451  -1.260
  119    HE3  LYS  14           2HE      LYS  14   5.696  -4.258   0.316
  120    HZ1  LYS  14           3HZ      LYS  14   6.107  -6.386  -1.698
  121    HZ2  LYS  14           1HZ      LYS  14   6.516  -6.629  -0.070
  122    HZ3  LYS  14           2HZ      LYS  14   7.270  -5.392  -0.961
  123    H    THR  15           H        THR  15   1.728  -4.574   4.050
  124    HA   THR  15           HA       THR  15   3.034  -6.949   4.818
  125    HB   THR  15           HB       THR  15   1.219  -5.058   6.353
  126    HG1  THR  15           HG1      THR  15   3.160  -4.075   6.873
  127   HG21  THR  15          3HG2      THR  15   1.383  -6.944   7.753
  128   HG22  THR  15          1HG2      THR  15   2.700  -5.907   8.303
  129   HG23  THR  15          2HG2      THR  15   3.040  -7.283   7.251
  130    H    ILE  16           H        ILE  16  -0.329  -6.322   4.206
  131    HA   ILE  16           HA       ILE  16  -1.286  -8.741   5.603
  132    HB   ILE  16           HB       ILE  16  -2.539  -6.622   3.833
  133   HG12  ILE  16          1HG1      ILE  16  -3.761  -6.482   6.256
  134   HG13  ILE  16          2HG1      ILE  16  -2.167  -7.057   6.747
  135   HG21  ILE  16          1HG2      ILE  16  -3.894  -8.890   5.327
  136   HG22  ILE  16          2HG2      ILE  16  -3.707  -8.801   3.576
  137   HG23  ILE  16          3HG2      ILE  16  -4.707  -7.616   4.417
  138   HD11  ILE  16          3HD1      ILE  16  -1.253  -5.032   6.381
  139   HD12  ILE  16          1HD1      ILE  16  -2.883  -4.409   6.125
  140   HD13  ILE  16          2HD1      ILE  16  -1.927  -4.967   4.752
  141    H    HIS  17           H        HIS  17  -1.112  -7.626   2.193
  142    HA   HIS  17           HA       HIS  17  -2.067  -9.908   0.908
  143    HB2  HIS  17           1HB      HIS  17   0.093  -7.911   0.392
  144    HB3  HIS  17           2HB      HIS  17  -0.068  -9.273  -0.714
  145    HD1  HIS  17           HD1      HIS  17  -1.708  -8.937  -2.563
  146    HD2  HIS  17           HD2      HIS  17  -2.592  -6.525   0.720
  147    HE1  HIS  17           HE1      HIS  17  -3.701  -7.522  -3.229
  148    H    ARG  18           H        ARG  18   1.325  -9.358   1.940
  149    HA   ARG  18           HA       ARG  18   2.128 -12.065   1.311
  150    HB2  ARG  18           1HB      ARG  18   3.478  -9.832   1.624
  151    HB3  ARG  18           2HB      ARG  18   3.457 -10.263   3.332
  152    HG2  ARG  18           1HG      ARG  18   4.785 -12.136   3.022
  153    HG3  ARG  18           2HG      ARG  18   4.266 -12.355   1.351
  154    HD2  ARG  18           1HD      ARG  18   6.099 -11.234   0.642
  155    HD3  ARG  18           2HD      ARG  18   5.578  -9.807   1.561
  156    HE   ARG  18           HE       ARG  18   7.167 -12.045   2.767
  157   HH11  ARG  18          1HH1      ARG  18   8.226  -9.259   1.819
  158   HH12  ARG  18          2HH1      ARG  18   8.394  -8.472   3.353
  159   HH21  ARG  18          1HH2      ARG  18   6.495 -10.816   5.064
  160   HH22  ARG  18          2HH2      ARG  18   7.414  -9.353   5.190
  161    H    LEU  19           H        LEU  19   1.308 -10.366   4.338
  162    HA   LEU  19           HA       LEU  19   1.616 -12.574   6.101
  163    HB2  LEU  19           1HB      LEU  19   1.277 -10.346   6.942
  164    HB3  LEU  19           2HB      LEU  19  -0.223 -10.168   6.035
  165    HG   LEU  19           HG       LEU  19  -0.108 -12.459   7.917
  166   HD11  LEU  19          1HD1      LEU  19   0.161 -11.290   9.831
  167   HD12  LEU  19          2HD1      LEU  19  -0.933 -10.020   9.286
  168   HD13  LEU  19          3HD1      LEU  19   0.770  -9.972   8.831
  169   HD21  LEU  19          3HD2      LEU  19  -2.340 -12.310   7.621
  170   HD22  LEU  19          1HD2      LEU  19  -2.033 -11.039   6.437
  171   HD23  LEU  19          2HD2      LEU  19  -2.344 -10.619   8.121
  172    H    VAL  20           H        VAL  20  -0.745 -11.849   3.622
  173    HA   VAL  20           HA       VAL  20  -2.567 -13.975   4.689
  174    HB   VAL  20           HB       VAL  20  -3.022 -11.498   3.585
  175   HG11  VAL  20          1HG1      VAL  20  -3.474 -13.612   1.470
  176   HG12  VAL  20          2HG1      VAL  20  -2.448 -12.187   1.332
  177   HG13  VAL  20          3HG1      VAL  20  -4.198 -12.005   1.423
  178   HG21  VAL  20          3HG2      VAL  20  -4.835 -13.923   3.627
  179   HG22  VAL  20          1HG2      VAL  20  -5.385 -12.254   3.473
  180   HG23  VAL  20          2HG2      VAL  20  -4.586 -12.786   4.953
  181    H    THR  21           H        THR  21  -0.870 -13.125   1.692
  182    HA   THR  21           HA       THR  21  -1.462 -15.618   0.363
  183    HB   THR  21           HB       THR  21   0.369 -13.261   0.028
  184    HG1  THR  21           HG1      THR  21  -1.960 -13.768  -0.741
  185   HG21  THR  21          3HG2      THR  21   1.038 -14.476  -2.202
  186   HG22  THR  21          1HG2      THR  21   0.694 -15.941  -1.281
  187   HG23  THR  21          2HG2      THR  21   1.931 -14.815  -0.718
  188    H    GLY  22           H        GLY  22   0.470 -14.958   3.035
  189    HA2  GLY  22           1HA      GLY  22   2.868 -16.351   2.653
  190    HA3  GLY  22           2HA      GLY  22   2.005 -16.309   4.191
  Start of MODEL   14
    1    H1   PHE   1           1H       PHE   1   2.412  14.669   2.496
    2    H2   PHE   1           2H       PHE   1   3.374  15.523   3.605
    3    H3   PHE   1           3H       PHE   1   1.969  16.236   2.967
    4    HA   PHE   1           HA       PHE   1   2.233  14.196   5.062
    5    HB2  PHE   1           1HB      PHE   1   1.534  16.893   4.784
    6    HB3  PHE   1           2HB      PHE   1  -0.007  16.064   5.019
    7    HD1  PHE   1           HD1      PHE   1   3.366  16.626   6.466
    8    HD2  PHE   1           HD2      PHE   1  -0.577  15.050   7.116
    9    HE1  PHE   1           HE1      PHE   1   3.860  16.387   8.885
   10    HE2  PHE   1           HE2      PHE   1  -0.084  14.811   9.534
   11    HZ   PHE   1           HZ       PHE   1   2.135  15.480  10.419
   12    H    PHE   2           H        PHE   2  -0.447  15.505   3.067
   13    HA   PHE   2           HA       PHE   2  -2.342  13.522   3.432
   14    HB2  PHE   2           1HB      PHE   2  -2.254  15.691   1.983
   15    HB3  PHE   2           2HB      PHE   2  -1.753  14.605   0.685
   16    HD1  PHE   2           HD2      PHE   2  -4.315  14.992   3.348
   17    HD2  PHE   2           HD1      PHE   2  -3.402  13.455  -0.545
   18    HE1  PHE   2           HE2      PHE   2  -6.694  14.329   3.060
   19    HE2  PHE   2           HE1      PHE   2  -5.774  12.789  -0.846
   20    HZ   PHE   2           HZ       PHE   2  -7.421  13.227   0.959
   21    H    HIS   3           H        HIS   3   0.351  13.448   1.103
   22    HA   HIS   3           HA       HIS   3  -0.310  10.810   0.072
   23    HB2  HIS   3           1HB      HIS   3   1.739  12.917  -0.230
   24    HB3  HIS   3           2HB      HIS   3   2.330  11.281  -0.528
   25    HD1  HIS   3           HD1      HIS   3  -0.383  10.154  -1.695
   26    HD2  HIS   3           HD2      HIS   3   1.483  13.670  -2.933
   27    HE1  HIS   3           HE1      HIS   3  -1.217  10.620  -4.041
   28    H    HIS   4           H        HIS   4   1.507  12.024   2.796
   29    HA   HIS   4           HA       HIS   4   3.208   9.762   3.254
   30    HB2  HIS   4           1HB      HIS   4   2.441  12.253   4.476
   31    HB3  HIS   4           2HB      HIS   4   2.488  10.984   5.699
   32    HD1  HIS   4           HD1      HIS   4   4.735  10.932   6.770
   33    HD2  HIS   4           HD2      HIS   4   5.006  11.796   2.701
   34    HE1  HIS   4           HE1      HIS   4   7.204  11.149   6.247
   35    H    ILE   5           H        ILE   5  -0.118  10.078   3.448
   36    HA   ILE   5           HA       ILE   5  -0.386   7.915   5.472
   37    HB   ILE   5           HB       ILE   5  -2.414   9.652   4.089
   38   HG12  ILE   5          1HG1      ILE   5  -0.813  11.069   5.168
   39   HG13  ILE   5          2HG1      ILE   5  -2.251  11.035   6.199
   40   HG21  ILE   5          1HG2      ILE   5  -3.866   8.323   5.215
   41   HG22  ILE   5          2HG2      ILE   5  -3.235   9.037   6.699
   42   HG23  ILE   5          3HG2      ILE   5  -2.549   7.534   6.083
   43   HD11  ILE   5          3HD1      ILE   5   0.282   9.409   6.545
   44   HD12  ILE   5          1HD1      ILE   5  -1.165   9.220   7.536
   45   HD13  ILE   5          2HD1      ILE   5  -0.259  10.734   7.580
   46    H    PHE   6           H        PHE   6  -1.649   8.867   2.284
   47    HA   PHE   6           HA       PHE   6  -2.897   6.449   1.538
   48    HB2  PHE   6           1HB      PHE   6  -2.001   8.869   0.332
   49    HB3  PHE   6           2HB      PHE   6  -1.347   7.557  -0.647
   50    HD1  PHE   6           HD1      PHE   6  -2.837   5.942  -1.757
   51    HD2  PHE   6           HD2      PHE   6  -4.398   9.232   0.523
   52    HE1  PHE   6           HE1      PHE   6  -5.070   5.584  -2.771
   53    HE2  PHE   6           HE2      PHE   6  -6.633   8.873  -0.491
   54    HZ   PHE   6           HZ       PHE   6  -6.968   7.050  -2.138
   55    H    ARG   7           H        ARG   7   0.497   7.407   1.552
   56    HA   ARG   7           HA       ARG   7   1.470   4.869   0.478
   57    HB2  ARG   7           1HB      ARG   7   2.453   7.506   1.343
   58    HB3  ARG   7           2HB      ARG   7   3.543   6.184   1.737
   59    HG2  ARG   7           1HG      ARG   7   3.157   5.412  -0.709
   60    HG3  ARG   7           2HG      ARG   7   2.548   7.047  -0.968
   61    HD2  ARG   7           1HD      ARG   7   5.291   6.373   0.161
   62    HD3  ARG   7           2HD      ARG   7   4.968   6.924  -1.495
   63    HE   ARG   7           HE       ARG   7   3.945   8.995  -0.416
   64   HH11  ARG   7          1HH1      ARG   7   4.100   8.123   2.419
   65   HH12  ARG   7          2HH1      ARG   7   5.561   8.875   2.967
   66   HH21  ARG   7          1HH2      ARG   7   6.755   9.489  -0.230
   67   HH22  ARG   7          2HH2      ARG   7   7.065   9.649   1.466
   68    H    GLY   8           H        GLY   8   0.849   6.388   3.623
   69    HA2  GLY   8           1HA      GLY   8   2.255   4.391   5.190
   70    HA3  GLY   8           2HA      GLY   8   1.025   5.506   5.803
   71    H    ILE   9           H        ILE   9  -1.064   4.743   3.996
   72    HA   ILE   9           HA       ILE   9  -1.973   2.276   5.326
   73    HB   ILE   9           HB       ILE   9  -3.207   4.192   3.318
   74   HG12  ILE   9          1HG1      ILE   9  -4.258   4.021   6.064
   75   HG13  ILE   9          2HG1      ILE   9  -2.597   4.611   5.971
   76   HG21  ILE   9          1HG2      ILE   9  -5.042   2.877   3.231
   77   HG22  ILE   9          2HG2      ILE   9  -5.011   2.588   4.969
   78   HG23  ILE   9          3HG2      ILE   9  -4.023   1.600   3.893
   79   HD11  ILE   9          3HD1      ILE   9  -4.343   6.425   5.809
   80   HD12  ILE   9          1HD1      ILE   9  -4.861   5.708   4.284
   81   HD13  ILE   9          2HD1      ILE   9  -3.233   6.367   4.440
   82    H    VAL  10           H        VAL  10  -1.177   3.367   2.027
   83    HA   VAL  10           HA       VAL  10  -1.965   0.993   0.647
   84    HB   VAL  10           HB       VAL  10   0.051   3.192   0.178
   85   HG11  VAL  10          1HG1      VAL  10  -0.228   0.608  -1.232
   86   HG12  VAL  10          2HG1      VAL  10   1.128   1.737  -1.205
   87   HG13  VAL  10          3HG1      VAL  10  -0.242   2.030  -2.277
   88   HG21  VAL  10          3HG2      VAL  10  -2.542   3.411   0.013
   89   HG22  VAL  10          1HG2      VAL  10  -2.370   2.477  -1.473
   90   HG23  VAL  10          2HG2      VAL  10  -1.566   4.039  -1.315
   91    H    HIS  11           H        HIS  11   1.112   1.882   2.212
   92    HA   HIS  11           HA       HIS  11   2.544  -0.488   1.393
   93    HB2  HIS  11           1HB      HIS  11   2.840   1.793   3.274
   94    HB3  HIS  11           2HB      HIS  11   3.809   0.362   3.628
   95    HD1  HIS  11           HD1      HIS  11   6.078   0.706   2.663
   96    HD2  HIS  11           HD2      HIS  11   3.103   2.125   0.111
   97    HE1  HIS  11           HE1      HIS  11   7.254   1.507   0.567
   98    H    VAL  12           H        VAL  12   1.154   0.431   4.556
   99    HA   VAL  12           HA       VAL  12   1.565  -1.939   5.975
  100    HB   VAL  12           HB       VAL  12  -0.537  -1.205   7.184
  101   HG11  VAL  12          1HG1      VAL  12   0.400   1.280   7.408
  102   HG12  VAL  12          2HG1      VAL  12   1.749   0.586   6.508
  103   HG13  VAL  12          3HG1      VAL  12   1.283  -0.098   8.066
  104   HG21  VAL  12          3HG2      VAL  12  -1.733  -0.455   5.146
  105   HG22  VAL  12          1HG2      VAL  12  -0.597   0.885   5.007
  106   HG23  VAL  12          2HG2      VAL  12  -1.679   0.787   6.396
  107    H    GLY  13           H        GLY  13  -0.988  -1.191   3.616
  108    HA2  GLY  13           1HA      GLY  13  -2.524  -3.572   3.966
  109    HA3  GLY  13           2HA      GLY  13  -2.488  -2.602   2.491
  110    H    LYS  14           H        LYS  14   0.539  -2.962   2.443
  111    HA   LYS  14           HA       LYS  14   0.542  -5.354   0.777
  112    HB2  LYS  14           1HB      LYS  14   1.866  -3.332   0.284
  113    HB3  LYS  14           2HB      LYS  14   2.747  -3.535   1.798
  114    HG2  LYS  14           1HG      LYS  14   3.174  -5.971   0.768
  115    HG3  LYS  14           2HG      LYS  14   2.962  -5.083  -0.741
  116    HD2  LYS  14           1HD      LYS  14   4.878  -4.294   1.473
  117    HD3  LYS  14           2HD      LYS  14   5.341  -5.134  -0.008
  118    HE2  LYS  14           1HE      LYS  14   4.703  -3.256  -1.375
  119    HE3  LYS  14           2HE      LYS  14   3.924  -2.449   0.000
  120    HZ1  LYS  14           3HZ      LYS  14   6.300  -1.756  -0.548
  121    HZ2  LYS  14           1HZ      LYS  14   6.767  -3.260   0.082
  122    HZ3  LYS  14           2HZ      LYS  14   5.958  -2.140   1.072
  123    H    THR  15           H        THR  15   1.808  -4.466   3.971
  124    HA   THR  15           HA       THR  15   3.302  -6.796   4.555
  125    HB   THR  15           HB       THR  15   1.549  -5.010   6.276
  126    HG1  THR  15           HG1      THR  15   3.572  -4.349   5.010
  127   HG21  THR  15          3HG2      THR  15   1.854  -6.732   7.763
  128   HG22  THR  15          1HG2      THR  15   3.407  -5.929   7.987
  129   HG23  THR  15          2HG2      THR  15   3.286  -7.337   6.930
  130    H    ILE  16           H        ILE  16  -0.106  -6.340   4.148
  131    HA   ILE  16           HA       ILE  16  -0.870  -8.799   5.600
  132    HB   ILE  16           HB       ILE  16  -2.242  -6.632   4.005
  133   HG12  ILE  16          1HG1      ILE  16  -3.564  -6.721   6.294
  134   HG13  ILE  16          2HG1      ILE  16  -2.118  -7.560   6.856
  135   HG21  ILE  16          1HG2      ILE  16  -3.417  -9.255   4.964
  136   HG22  ILE  16          2HG2      ILE  16  -3.411  -8.624   3.317
  137   HG23  ILE  16          3HG2      ILE  16  -4.396  -7.846   4.557
  138   HD11  ILE  16          3HD1      ILE  16  -1.633  -5.297   7.292
  139   HD12  ILE  16          1HD1      ILE  16  -2.364  -4.756   5.781
  140   HD13  ILE  16          2HD1      ILE  16  -0.816  -5.600   5.760
  141    H    HIS  17           H        HIS  17  -0.645  -7.720   2.190
  142    HA   HIS  17           HA       HIS  17  -1.685  -9.959   0.891
  143    HB2  HIS  17           1HB      HIS  17   0.688  -8.178   0.413
  144    HB3  HIS  17           2HB      HIS  17   0.282  -9.454  -0.729
  145    HD1  HIS  17           HD1      HIS  17  -0.814  -8.246  -2.644
  146    HD2  HIS  17           HD2      HIS  17  -2.276  -6.967   1.044
  147    HE1  HIS  17           HE1      HIS  17  -2.728  -6.664  -3.142
  148    H    ARG  18           H        ARG  18   1.632  -9.576   2.179
  149    HA   ARG  18           HA       ARG  18   2.389 -12.299   1.532
  150    HB2  ARG  18           1HB      ARG  18   3.791 -10.121   1.980
  151    HB3  ARG  18           2HB      ARG  18   3.642 -10.587   3.673
  152    HG2  ARG  18           1HG      ARG  18   4.761 -12.662   3.306
  153    HG3  ARG  18           2HG      ARG  18   4.628 -12.505   1.554
  154    HD2  ARG  18           1HD      ARG  18   6.601 -11.399   1.487
  155    HD3  ARG  18           2HD      ARG  18   5.974 -10.180   2.616
  156    HE   ARG  18           HE       ARG  18   6.980 -11.377   4.405
  157   HH11  ARG  18          1HH1      ARG  18   5.897 -14.079   3.763
  158   HH12  ARG  18          2HH1      ARG  18   7.331 -14.971   3.373
  159   HH21  ARG  18          1HH2      ARG  18   9.284 -12.141   2.918
  160   HH22  ARG  18          2HH2      ARG  18   9.247 -13.872   2.893
  161    H    LEU  19           H        LEU  19   1.401 -10.614   4.504
  162    HA   LEU  19           HA       LEU  19   1.496 -12.904   6.224
  163    HB2  LEU  19           1HB      LEU  19   1.174 -10.294   6.598
  164    HB3  LEU  19           2HB      LEU  19  -0.538 -10.708   6.504
  165    HG   LEU  19           HG       LEU  19   0.273 -10.772   8.840
  166   HD11  LEU  19          1HD1      LEU  19  -0.133 -13.641   8.061
  167   HD12  LEU  19          2HD1      LEU  19  -1.418 -12.477   7.739
  168   HD13  LEU  19          3HD1      LEU  19  -0.855 -12.733   9.390
  169   HD21  LEU  19          3HD2      LEU  19   1.807 -13.214   8.648
  170   HD22  LEU  19          1HD2      LEU  19   2.278 -11.667   9.352
  171   HD23  LEU  19          2HD2      LEU  19   2.533 -11.968   7.633
  172    H    VAL  20           H        VAL  20  -0.620 -11.966   3.637
  173    HA   VAL  20           HA       VAL  20  -2.724 -13.874   4.615
  174    HB   VAL  20           HB       VAL  20  -2.910 -11.328   3.694
  175   HG11  VAL  20          1HG1      VAL  20  -2.206 -11.872   1.435
  176   HG12  VAL  20          2HG1      VAL  20  -3.926 -11.489   1.415
  177   HG13  VAL  20          3HG1      VAL  20  -3.394 -13.169   1.345
  178   HG21  VAL  20          3HG2      VAL  20  -4.659 -12.729   4.801
  179   HG22  VAL  20          1HG2      VAL  20  -4.986 -13.491   3.244
  180   HG23  VAL  20          2HG2      VAL  20  -5.294 -11.768   3.465
  181    H    THR  21           H        THR  21  -0.660 -13.212   1.814
  182    HA   THR  21           HA       THR  21  -1.620 -15.316   0.135
  183    HB   THR  21           HB       THR  21   0.998 -13.833   0.439
  184    HG1  THR  21           HG1      THR  21   0.103 -12.552  -0.965
  185   HG21  THR  21          3HG2      THR  21   1.420 -16.103  -0.501
  186   HG22  THR  21          1HG2      THR  21   1.727 -14.818  -1.669
  187   HG23  THR  21          2HG2      THR  21   0.244 -15.765  -1.770
  188    H    GLY  22           H        GLY  22   0.051 -15.483   3.105
  189    HA2  GLY  22           1HA      GLY  22   0.814 -18.315   2.515
  190    HA3  GLY  22           2HA      GLY  22   1.856 -17.266   3.476
  Start of MODEL   15
    1    H1   PHE   1           1H       PHE   1   2.216  13.941   6.853
    2    H2   PHE   1           2H       PHE   1   0.567  14.350   6.880
    3    H3   PHE   1           3H       PHE   1   1.748  15.566   6.992
    4    HA   PHE   1           HA       PHE   1   1.256  15.783   4.784
    5    HB2  PHE   1           1HB      PHE   1   3.173  13.432   4.855
    6    HB3  PHE   1           2HB      PHE   1   3.076  14.671   3.605
    7    HD1  PHE   1           HD1      PHE   1   2.875  17.173   4.976
    8    HD2  PHE   1           HD2      PHE   1   5.140  13.694   6.083
    9    HE1  PHE   1           HE1      PHE   1   4.438  18.601   6.269
   10    HE2  PHE   1           HE2      PHE   1   6.702  15.122   7.375
   11    HZ   PHE   1           HZ       PHE   1   6.351  17.576   7.468
   12    H    PHE   2           H        PHE   2  -0.721  15.197   3.927
   13    HA   PHE   2           HA       PHE   2  -2.090  12.784   4.059
   14    HB2  PHE   2           1HB      PHE   2  -2.864  14.962   3.114
   15    HB3  PHE   2           2HB      PHE   2  -1.910  14.638   1.662
   16    HD1  PHE   2           HD2      PHE   2  -4.515  13.151   3.852
   17    HD2  PHE   2           HD1      PHE   2  -2.870  13.394  -0.097
   18    HE1  PHE   2           HE2      PHE   2  -6.392  11.766   2.991
   19    HE2  PHE   2           HE1      PHE   2  -4.739  12.012  -0.968
   20    HZ   PHE   2           HZ       PHE   2  -6.501  11.197   0.578
   21    H    HIS   3           H        HIS   3   0.623  13.603   1.964
   22    HA   HIS   3           HA       HIS   3   0.439  11.495   0.066
   23    HB2  HIS   3           1HB      HIS   3   1.948  13.476  -0.004
   24    HB3  HIS   3           2HB      HIS   3   2.885  12.784   1.320
   25    HD1  HIS   3           HD1      HIS   3   4.391  10.748   0.790
   26    HD2  HIS   3           HD2      HIS   3   2.282  12.154  -2.519
   27    HE1  HIS   3           HE1      HIS   3   5.398   9.611  -1.236
   28    H    HIS   4           H        HIS   4   2.085  11.598   3.223
   29    HA   HIS   4           HA       HIS   4   3.082   8.905   3.128
   30    HB2  HIS   4           1HB      HIS   4   3.013  11.191   4.874
   31    HB3  HIS   4           2HB      HIS   4   2.664   9.729   5.794
   32    HD1  HIS   4           HD1      HIS   4   4.656   8.383   6.481
   33    HD2  HIS   4           HD2      HIS   4   5.515  10.855   3.237
   34    HE1  HIS   4           HE1      HIS   4   7.130   8.115   6.013
   35    H    ILE   5           H        ILE   5  -0.019  10.074   3.457
   36    HA   ILE   5           HA       ILE   5  -0.993   7.947   5.210
   37    HB   ILE   5           HB       ILE   5  -2.489   9.868   3.446
   38   HG12  ILE   5          1HG1      ILE   5  -0.921  11.206   4.622
   39   HG13  ILE   5          2HG1      ILE   5  -2.429  11.353   5.533
   40   HG21  ILE   5          1HG2      ILE   5  -4.314   9.094   4.528
   41   HG22  ILE   5          2HG2      ILE   5  -3.569   9.435   6.090
   42   HG23  ILE   5          3HG2      ILE   5  -3.289   7.883   5.298
   43   HD11  ILE   5          3HD1      ILE   5  -1.573   9.428   6.974
   44   HD12  ILE   5          1HD1      ILE   5  -0.699  10.950   7.146
   45   HD13  ILE   5          2HD1      ILE   5  -0.015   9.645   6.174
   46    H    PHE   6           H        PHE   6  -1.819   8.930   1.882
   47    HA   PHE   6           HA       PHE   6  -3.112   6.537   1.101
   48    HB2  PHE   6           1HB      PHE   6  -2.569   8.878  -0.086
   49    HB3  PHE   6           2HB      PHE   6  -1.243   7.947  -0.782
   50    HD1  PHE   6           HD2      PHE   6  -1.672   6.029  -2.248
   51    HD2  PHE   6           HD1      PHE   6  -4.892   8.359  -0.619
   52    HE1  PHE   6           HE2      PHE   6  -3.239   4.998  -3.871
   53    HE2  PHE   6           HE1      PHE   6  -6.459   7.328  -2.241
   54    HZ   PHE   6           HZ       PHE   6  -5.633   5.647  -3.867
   55    H    ARG   7           H        ARG   7   0.289   7.401   1.330
   56    HA   ARG   7           HA       ARG   7   1.247   4.834   0.293
   57    HB2  ARG   7           1HB      ARG   7   2.257   7.463   1.168
   58    HB3  ARG   7           2HB      ARG   7   3.314   6.117   1.574
   59    HG2  ARG   7           1HG      ARG   7   2.753   5.414  -0.945
   60    HG3  ARG   7           2HG      ARG   7   2.519   7.156  -1.101
   61    HD2  ARG   7           1HD      ARG   7   4.880   6.465  -1.593
   62    HD3  ARG   7           2HD      ARG   7   4.783   7.556  -0.196
   63    HE   ARG   7           HE       ARG   7   4.953   4.575   0.066
   64   HH11  ARG   7          1HH1      ARG   7   4.661   7.497   1.721
   65   HH12  ARG   7          2HH1      ARG   7   5.915   7.166   2.871
   66   HH21  ARG   7          1HH2      ARG   7   6.960   4.262   1.292
   67   HH22  ARG   7          2HH2      ARG   7   7.216   5.334   2.628
   68    H    GLY   8           H        GLY   8   0.475   6.368   3.383
   69    HA2  GLY   8           1HA      GLY   8   1.820   4.334   4.997
   70    HA3  GLY   8           2HA      GLY   8   0.678   5.546   5.593
   71    H    ILE   9           H        ILE   9  -1.448   4.860   3.742
   72    HA   ILE   9           HA       ILE   9  -2.551   2.538   5.180
   73    HB   ILE   9           HB       ILE   9  -3.582   4.457   3.069
   74   HG12  ILE   9          1HG1      ILE   9  -4.570   4.265   5.893
   75   HG13  ILE   9          2HG1      ILE   9  -3.042   5.090   5.582
   76   HG21  ILE   9          1HG2      ILE   9  -4.715   2.232   2.978
   77   HG22  ILE   9          2HG2      ILE   9  -5.794   3.528   3.492
   78   HG23  ILE   9          3HG2      ILE   9  -5.130   2.409   4.683
   79   HD11  ILE   9          3HD1      ILE   9  -4.226   6.471   3.843
   80   HD12  ILE   9          1HD1      ILE   9  -4.810   6.742   5.486
   81   HD13  ILE   9          2HD1      ILE   9  -5.742   5.741   4.372
   82    H    VAL  10           H        VAL  10  -1.646   3.393   1.840
   83    HA   VAL  10           HA       VAL  10  -2.538   0.978   0.593
   84    HB   VAL  10           HB       VAL  10  -0.398   3.031  -0.002
   85   HG11  VAL  10          1HG1      VAL  10  -0.917   1.719  -2.384
   86   HG12  VAL  10          2HG1      VAL  10  -0.830   0.398  -1.219
   87   HG13  VAL  10          3HG1      VAL  10   0.529   1.508  -1.398
   88   HG21  VAL  10          3HG2      VAL  10  -3.058   3.289  -0.144
   89   HG22  VAL  10          1HG2      VAL  10  -2.803   2.492  -1.696
   90   HG23  VAL  10          2HG2      VAL  10  -1.998   4.023  -1.348
   91    H    HIS  11           H        HIS  11   0.483   1.809   2.258
   92    HA   HIS  11           HA       HIS  11   1.862  -0.648   1.539
   93    HB2  HIS  11           1HB      HIS  11   2.234   1.698   3.353
   94    HB3  HIS  11           2HB      HIS  11   3.201   0.257   3.670
   95    HD1  HIS  11           HD1      HIS  11   5.442   0.670   2.652
   96    HD2  HIS  11           HD2      HIS  11   2.361   1.927   0.142
   97    HE1  HIS  11           HE1      HIS  11   6.539   1.437   0.502
   98    H    VAL  12           H        VAL  12   0.458   0.526   4.609
   99    HA   VAL  12           HA       VAL  12   0.766  -1.753   6.193
  100    HB   VAL  12           HB       VAL  12  -1.344  -0.884   7.299
  101   HG11  VAL  12          1HG1      VAL  12   0.900   0.961   6.501
  102   HG12  VAL  12          2HG1      VAL  12   0.659   0.130   8.038
  103   HG13  VAL  12          3HG1      VAL  12  -0.375   1.489   7.598
  104   HG21  VAL  12          3HG2      VAL  12  -2.494  -0.218   5.227
  105   HG22  VAL  12          1HG2      VAL  12  -1.283   1.036   4.971
  106   HG23  VAL  12          2HG2      VAL  12  -2.366   1.127   6.358
  107    H    GLY  13           H        GLY  13  -1.757  -1.077   3.771
  108    HA2  GLY  13           1HA      GLY  13  -3.289  -3.459   4.244
  109    HA3  GLY  13           2HA      GLY  13  -3.323  -2.504   2.758
  110    H    LYS  14           H        LYS  14  -0.382  -2.756   2.423
  111    HA   LYS  14           HA       LYS  14  -0.389  -5.293   0.965
  112    HB2  LYS  14           1HB      LYS  14   0.692  -2.941   0.445
  113    HB3  LYS  14           2HB      LYS  14   2.014  -3.551   1.441
  114    HG2  LYS  14           1HG      LYS  14   0.884  -5.207  -0.811
  115    HG3  LYS  14           2HG      LYS  14   2.124  -3.989  -1.113
  116    HD2  LYS  14           1HD      LYS  14   2.943  -5.480   1.170
  117    HD3  LYS  14           2HD      LYS  14   2.457  -6.637  -0.068
  118    HE2  LYS  14           1HE      LYS  14   4.357  -4.319  -0.567
  119    HE3  LYS  14           2HE      LYS  14   4.872  -5.991  -0.269
  120    HZ1  LYS  14           3HZ      LYS  14   2.783  -5.499  -2.267
  121    HZ2  LYS  14           1HZ      LYS  14   3.949  -6.728  -2.209
  122    HZ3  LYS  14           2HZ      LYS  14   4.393  -5.162  -2.695
  123    H    THR  15           H        THR  15   1.193  -3.953   3.842
  124    HA   THR  15           HA       THR  15   3.033  -5.960   4.472
  125    HB   THR  15           HB       THR  15   1.083  -4.460   6.259
  126    HG1  THR  15           HG1      THR  15   3.783  -3.904   5.614
  127   HG21  THR  15          3HG2      THR  15   1.991  -6.214   7.584
  128   HG22  THR  15          1HG2      THR  15   2.974  -4.798   7.953
  129   HG23  THR  15          2HG2      THR  15   3.588  -6.037   6.858
  130    H    ILE  16           H        ILE  16  -0.458  -6.072   4.463
  131    HA   ILE  16           HA       ILE  16  -0.589  -8.622   5.958
  132    HB   ILE  16           HB       ILE  16  -2.632  -6.923   4.482
  133   HG12  ILE  16          1HG1      ILE  16  -2.576  -7.259   7.450
  134   HG13  ILE  16          2HG1      ILE  16  -1.341  -6.227   6.730
  135   HG21  ILE  16          1HG2      ILE  16  -4.284  -8.390   5.121
  136   HG22  ILE  16          2HG2      ILE  16  -3.415  -8.901   6.569
  137   HG23  ILE  16          3HG2      ILE  16  -2.958  -9.545   4.992
  138   HD11  ILE  16          3HD1      ILE  16  -4.259  -5.797   6.958
  139   HD12  ILE  16          1HD1      ILE  16  -3.559  -5.363   5.399
  140   HD13  ILE  16          2HD1      ILE  16  -2.950  -4.619   6.877
  141    H    HIS  17           H        HIS  17  -1.225  -7.512   2.604
  142    HA   HIS  17           HA       HIS  17  -1.953  -9.947   1.445
  143    HB2  HIS  17           1HB      HIS  17  -0.195  -7.669   0.561
  144    HB3  HIS  17           2HB      HIS  17  -0.596  -8.995  -0.526
  145    HD1  HIS  17           HD1      HIS  17  -2.226  -7.806  -2.080
  146    HD2  HIS  17           HD2      HIS  17  -3.212  -7.326   1.942
  147    HE1  HIS  17           HE1      HIS  17  -4.508  -6.708  -2.028
  148    H    ARG  18           H        ARG  18   1.346  -8.759   2.132
  149    HA   ARG  18           HA       ARG  18   2.605 -11.206   1.195
  150    HB2  ARG  18           1HB      ARG  18   3.493  -8.742   1.475
  151    HB3  ARG  18           2HB      ARG  18   3.811  -9.241   3.136
  152    HG2  ARG  18           1HG      ARG  18   5.627 -10.423   2.515
  153    HG3  ARG  18           2HG      ARG  18   4.724 -11.254   1.247
  154    HD2  ARG  18           1HD      ARG  18   5.700  -9.966  -0.339
  155    HD3  ARG  18           2HD      ARG  18   5.175  -8.489   0.493
  156    HE   ARG  18           HE       ARG  18   7.707  -9.964   1.083
  157   HH11  ARG  18          1HH1      ARG  18   5.975  -8.138   3.062
  158   HH12  ARG  18          2HH1      ARG  18   6.994  -6.737   3.072
  159   HH21  ARG  18          1HH2      ARG  18   8.883  -7.766   0.353
  160   HH22  ARG  18          2HH2      ARG  18   8.640  -6.526   1.537
  161    H    LEU  19           H        LEU  19   1.834  -9.813   4.375
  162    HA   LEU  19           HA       LEU  19   2.818 -12.001   5.939
  163    HB2  LEU  19           1HB      LEU  19   2.159  -9.664   6.682
  164    HB3  LEU  19           2HB      LEU  19   0.475 -10.149   6.497
  165    HG   LEU  19           HG       LEU  19   1.461 -10.353   8.854
  166   HD11  LEU  19          1HD1      LEU  19   0.624 -13.084   8.280
  167   HD12  LEU  19          2HD1      LEU  19  -0.393 -11.904   7.452
  168   HD13  LEU  19          3HD1      LEU  19  -0.206 -11.831   9.205
  169   HD21  LEU  19          3HD2      LEU  19   2.707 -12.869   7.730
  170   HD22  LEU  19          1HD2      LEU  19   2.942 -12.155   9.325
  171   HD23  LEU  19          2HD2      LEU  19   3.624 -11.373   7.899
  172    H    VAL  20           H        VAL  20   0.080 -11.616   3.840
  173    HA   VAL  20           HA       VAL  20  -1.263 -13.997   5.086
  174    HB   VAL  20           HB       VAL  20  -2.238 -11.575   4.346
  175   HG11  VAL  20          1HG1      VAL  20  -3.593 -11.971   2.282
  176   HG12  VAL  20          2HG1      VAL  20  -2.687 -13.463   2.030
  177   HG13  VAL  20          3HG1      VAL  20  -1.858 -11.911   1.974
  178   HG21  VAL  20          3HG2      VAL  20  -4.354 -12.498   4.777
  179   HG22  VAL  20          1HG2      VAL  20  -3.265 -13.623   5.588
  180   HG23  VAL  20          2HG2      VAL  20  -3.942 -14.033   4.012
  181    H    THR  21           H        THR  21   0.028 -12.817   2.012
  182    HA   THR  21           HA       THR  21  -0.661 -15.169   0.481
  183    HB   THR  21           HB       THR  21   1.441 -13.003   0.150
  184    HG1  THR  21           HG1      THR  21  -0.170 -11.872  -0.541
  185   HG21  THR  21          3HG2      THR  21   2.217 -14.310  -1.519
  186   HG22  THR  21          1HG2      THR  21   0.713 -13.932  -2.361
  187   HG23  THR  21          2HG2      THR  21   0.841 -15.407  -1.403
  188    H    GLY  22           H        GLY  22   1.503 -14.793   3.020
  189    HA2  GLY  22           1HA      GLY  22   3.352 -16.036   3.762
  190    HA3  GLY  22           2HA      GLY  22   2.615 -17.368   2.870
  Start of MODEL   16
    1    H1   PHE   1           1H       PHE   1  -1.138  16.402   5.005
    2    H2   PHE   1           2H       PHE   1  -2.234  15.716   3.904
    3    H3   PHE   1           3H       PHE   1  -1.317  17.074   3.458
    4    HA   PHE   1           HA       PHE   1   0.209  15.710   2.597
    5    HB2  PHE   1           1HB      PHE   1   0.301  15.221   5.562
    6    HB3  PHE   1           2HB      PHE   1   1.372  14.301   4.505
    7    HD1  PHE   1           HD1      PHE   1   0.226  17.829   5.076
    8    HD2  PHE   1           HD2      PHE   1   3.439  15.218   3.931
    9    HE1  PHE   1           HE1      PHE   1   1.756  19.777   4.928
   10    HE2  PHE   1           HE2      PHE   1   4.968  17.165   3.784
   11    HZ   PHE   1           HZ       PHE   1   4.126  19.444   4.281
   12    H    PHE   2           H        PHE   2  -2.300  14.663   2.117
   13    HA   PHE   2           HA       PHE   2  -2.959  12.091   3.006
   14    HB2  PHE   2           1HB      PHE   2  -3.750  13.878   1.054
   15    HB3  PHE   2           2HB      PHE   2  -3.220  12.484   0.107
   16    HD1  PHE   2           HD2      PHE   2  -5.127  13.291   3.190
   17    HD2  PHE   2           HD1      PHE   2  -4.780  10.766  -0.247
   18    HE1  PHE   2           HE2      PHE   2  -7.235  12.140   3.836
   19    HE2  PHE   2           HE1      PHE   2  -6.884   9.605   0.383
   20    HZ   PHE   2           HZ       PHE   2  -8.112  10.294   2.427
   21    H    HIS   3           H        HIS   3  -0.371  13.083   0.847
   22    HA   HIS   3           HA       HIS   3   0.236  10.538  -0.322
   23    HB2  HIS   3           1HB      HIS   3   1.158  13.204  -0.345
   24    HB3  HIS   3           2HB      HIS   3   2.546  12.226   0.135
   25    HD1  HIS   3           HD1      HIS   3  -0.254  11.372  -2.309
   26    HD2  HIS   3           HD2      HIS   3   3.888  11.831  -2.255
   27    HE1  HIS   3           HE1      HIS   3   0.571  10.706  -4.609
   28    H    HIS   4           H        HIS   4   1.426  12.156   2.614
   29    HA   HIS   4           HA       HIS   4   3.329  10.149   3.357
   30    HB2  HIS   4           1HB      HIS   4   2.198  12.603   4.340
   31    HB3  HIS   4           2HB      HIS   4   2.280  11.428   5.650
   32    HD1  HIS   4           HD1      HIS   4   4.524  11.135   6.727
   33    HD2  HIS   4           HD2      HIS   4   4.834  12.883   2.956
   34    HE1  HIS   4           HE1      HIS   4   6.966  11.733   6.413
   35    H    ILE   5           H        ILE   5  -0.021  10.087   3.298
   36    HA   ILE   5           HA       ILE   5  -0.141   7.936   5.366
   37    HB   ILE   5           HB       ILE   5  -2.287   9.593   4.065
   38   HG12  ILE   5          1HG1      ILE   5  -0.738  11.047   5.187
   39   HG13  ILE   5          2HG1      ILE   5  -2.178  10.916   6.206
   40   HG21  ILE   5          1HG2      ILE   5  -3.773   8.501   5.404
   41   HG22  ILE   5          2HG2      ILE   5  -2.691   8.581   6.794
   42   HG23  ILE   5          3HG2      ILE   5  -2.500   7.297   5.600
   43   HD11  ILE   5          3HD1      ILE   5  -1.054   9.174   7.544
   44   HD12  ILE   5          1HD1      ILE   5  -0.115  10.668   7.543
   45   HD13  ILE   5          2HD1      ILE   5   0.374   9.317   6.519
   46    H    PHE   6           H        PHE   6  -1.426   8.889   2.193
   47    HA   PHE   6           HA       PHE   6  -2.626   6.455   1.422
   48    HB2  PHE   6           1HB      PHE   6  -1.917   8.897   0.252
   49    HB3  PHE   6           2HB      PHE   6  -1.010   7.711  -0.687
   50    HD1  PHE   6           HD2      PHE   6  -2.161   5.952  -1.957
   51    HD2  PHE   6           HD1      PHE   6  -4.351   8.911   0.257
   52    HE1  PHE   6           HE2      PHE   6  -4.235   5.318  -3.160
   53    HE2  PHE   6           HE1      PHE   6  -6.424   8.278  -0.948
   54    HZ   PHE   6           HZ       PHE   6  -6.366   6.482  -2.656
   55    H    ARG   7           H        ARG   7   0.735   7.441   1.565
   56    HA   ARG   7           HA       ARG   7   1.725   4.904   0.454
   57    HB2  ARG   7           1HB      ARG   7   3.767   6.037   0.448
   58    HB3  ARG   7           2HB      ARG   7   2.660   7.401   0.410
   59    HG2  ARG   7           1HG      ARG   7   2.852   7.700   2.813
   60    HG3  ARG   7           2HG      ARG   7   3.853   6.251   2.942
   61    HD2  ARG   7           1HD      ARG   7   5.324   8.203   2.927
   62    HD3  ARG   7           2HD      ARG   7   5.507   7.358   1.377
   63    HE   ARG   7           HE       ARG   7   3.533   9.581   1.604
   64   HH11  ARG   7          1HH1      ARG   7   6.193  10.738   1.229
   65   HH12  ARG   7          2HH1      ARG   7   6.395  10.730  -0.491
   66   HH21  ARG   7          1HH2      ARG   7   3.849   8.444  -1.048
   67   HH22  ARG   7          2HH2      ARG   7   5.069   9.433  -1.780
   68    H    GLY   8           H        GLY   8   1.138   6.495   3.548
   69    HA2  GLY   8           1HA      GLY   8   2.565   4.557   5.170
   70    HA3  GLY   8           2HA      GLY   8   1.329   5.678   5.755
   71    H    ILE   9           H        ILE   9  -0.756   4.820   3.960
   72    HA   ILE   9           HA       ILE   9  -1.644   2.410   5.398
   73    HB   ILE   9           HB       ILE   9  -2.855   4.280   3.343
   74   HG12  ILE   9          1HG1      ILE   9  -3.777   3.883   6.178
   75   HG13  ILE   9          2HG1      ILE   9  -2.375   4.905   5.852
   76   HG21  ILE   9          1HG2      ILE   9  -3.852   2.058   3.085
   77   HG22  ILE   9          2HG2      ILE   9  -5.004   3.144   3.860
   78   HG23  ILE   9          3HG2      ILE   9  -4.124   1.958   4.824
   79   HD11  ILE   9          3HD1      ILE   9  -4.155   6.433   5.751
   80   HD12  ILE   9          1HD1      ILE   9  -5.225   5.277   4.956
   81   HD13  ILE   9          2HD1      ILE   9  -3.902   6.017   4.055
   82    H    VAL  10           H        VAL  10  -0.954   3.365   2.030
   83    HA   VAL  10           HA       VAL  10  -1.675   0.946   0.744
   84    HB   VAL  10           HB       VAL  10   0.339   3.131   0.231
   85   HG11  VAL  10          1HG1      VAL  10   1.476   1.706  -1.117
   86   HG12  VAL  10          2HG1      VAL  10   0.071   1.804  -2.179
   87   HG13  VAL  10          3HG1      VAL  10   0.213   0.479  -1.024
   88   HG21  VAL  10          3HG2      VAL  10  -1.241   3.859  -1.382
   89   HG22  VAL  10          1HG2      VAL  10  -2.229   3.340  -0.015
   90   HG23  VAL  10          2HG2      VAL  10  -2.047   2.291  -1.420
   91    H    HIS  11           H        HIS  11   1.434   1.865   2.254
   92    HA   HIS  11           HA       HIS  11   2.826  -0.559   1.558
   93    HB2  HIS  11           1HB      HIS  11   3.114   1.705   3.496
   94    HB3  HIS  11           2HB      HIS  11   4.135   0.283   3.712
   95    HD1  HIS  11           HD1      HIS  11   6.228   0.260   2.357
   96    HD2  HIS  11           HD2      HIS  11   3.334   2.737   0.661
   97    HE1  HIS  11           HE1      HIS  11   7.311   1.356   0.347
   98    H    VAL  12           H        VAL  12   1.450   0.481   4.686
   99    HA   VAL  12           HA       VAL  12   1.753  -1.913   6.123
  100    HB   VAL  12           HB       VAL  12  -0.236  -1.018   7.399
  101   HG11  VAL  12          1HG1      VAL  12   2.226   0.432   6.721
  102   HG12  VAL  12          2HG1      VAL  12   1.524   0.090   8.302
  103   HG13  VAL  12          3HG1      VAL  12   0.947   1.464   7.359
  104   HG21  VAL  12          3HG2      VAL  12  -1.219   1.092   6.632
  105   HG22  VAL  12          1HG2      VAL  12  -1.504  -0.201   5.472
  106   HG23  VAL  12          2HG2      VAL  12  -0.256   1.004   5.159
  107    H    GLY  13           H        GLY  13  -0.873  -0.945   3.913
  108    HA2  GLY  13           1HA      GLY  13  -2.537  -3.223   4.284
  109    HA3  GLY  13           2HA      GLY  13  -2.487  -2.247   2.813
  110    H    LYS  14           H        LYS  14   0.477  -2.765   2.606
  111    HA   LYS  14           HA       LYS  14   0.281  -5.187   0.987
  112    HB2  LYS  14           1HB      LYS  14   1.679  -2.979   0.709
  113    HB3  LYS  14           2HB      LYS  14   2.827  -3.788   1.777
  114    HG2  LYS  14           1HG      LYS  14   2.164  -5.757  -0.066
  115    HG3  LYS  14           2HG      LYS  14   2.248  -4.291  -1.043
  116    HD2  LYS  14           1HD      LYS  14   4.432  -4.225   0.784
  117    HD3  LYS  14           2HD      LYS  14   4.411  -5.824   0.038
  118    HE2  LYS  14           1HE      LYS  14   4.239  -3.228  -1.532
  119    HE3  LYS  14           2HE      LYS  14   5.734  -4.157  -1.297
  120    HZ1  LYS  14           3HZ      LYS  14   4.189  -4.656  -3.331
  121    HZ2  LYS  14           1HZ      LYS  14   3.315  -5.559  -2.192
  122    HZ3  LYS  14           2HZ      LYS  14   4.947  -5.926  -2.493
  123    H    THR  15           H        THR  15   1.808  -4.266   4.056
  124    HA   THR  15           HA       THR  15   3.305  -6.554   4.647
  125    HB   THR  15           HB       THR  15   1.468  -4.916   6.432
  126    HG1  THR  15           HG1      THR  15   4.214  -4.564   6.368
  127   HG21  THR  15          3HG2      THR  15   3.957  -6.387   7.285
  128   HG22  THR  15          1HG2      THR  15   2.378  -7.172   7.305
  129   HG23  THR  15          2HG2      THR  15   2.662  -5.739   8.293
  130    H    ILE  16           H        ILE  16  -0.157  -6.171   4.403
  131    HA   ILE  16           HA       ILE  16  -0.755  -8.738   5.741
  132    HB   ILE  16           HB       ILE  16  -2.331  -6.575   4.329
  133   HG12  ILE  16          1HG1      ILE  16  -3.294  -7.091   6.917
  134   HG13  ILE  16          2HG1      ILE  16  -1.539  -7.189   7.059
  135   HG21  ILE  16          1HG2      ILE  16  -4.363  -7.866   5.089
  136   HG22  ILE  16          2HG2      ILE  16  -3.296  -9.223   5.448
  137   HG23  ILE  16          3HG2      ILE  16  -3.460  -8.646   3.789
  138   HD11  ILE  16          3HD1      ILE  16  -1.757  -4.913   7.287
  139   HD12  ILE  16          1HD1      ILE  16  -3.257  -4.858   6.363
  140   HD13  ILE  16          2HD1      ILE  16  -1.709  -4.985   5.526
  141    H    HIS  17           H        HIS  17  -0.685  -7.448   2.410
  142    HA   HIS  17           HA       HIS  17  -1.826  -9.561   0.999
  143    HB2  HIS  17           1HB      HIS  17   0.585  -7.826   0.571
  144    HB3  HIS  17           2HB      HIS  17   0.116  -9.016  -0.638
  145    HD1  HIS  17           HD1      HIS  17  -0.885  -7.535  -2.437
  146    HD2  HIS  17           HD2      HIS  17  -2.433  -6.704   1.343
  147    HE1  HIS  17           HE1      HIS  17  -2.796  -5.911  -2.787
  148    H    ARG  18           H        ARG  18   1.481  -9.403   2.339
  149    HA   ARG  18           HA       ARG  18   2.169 -12.071   1.413
  150    HB2  ARG  18           1HB      ARG  18   3.692 -10.063   2.004
  151    HB3  ARG  18           2HB      ARG  18   3.426 -10.517   3.685
  152    HG2  ARG  18           1HG      ARG  18   4.066 -12.899   2.272
  153    HG3  ARG  18           2HG      ARG  18   5.249 -11.679   1.798
  154    HD2  ARG  18           1HD      ARG  18   4.655 -11.661   4.681
  155    HD3  ARG  18           2HD      ARG  18   5.403 -13.167   4.114
  156    HE   ARG  18           HE       ARG  18   6.703 -10.575   4.197
  157   HH11  ARG  18          1HH1      ARG  18   8.170 -13.163   4.384
  158   HH12  ARG  18          2HH1      ARG  18   8.975 -13.246   2.853
  159   HH21  ARG  18          1HH2      ARG  18   6.977 -10.829   1.373
  160   HH22  ARG  18          2HH2      ARG  18   8.300 -11.924   1.149
  161    H    LEU  19           H        LEU  19   1.347 -10.657   4.573
  162    HA   LEU  19           HA       LEU  19   1.291 -13.112   6.030
  163    HB2  LEU  19           1HB      LEU  19   1.114 -10.518   6.652
  164    HB3  LEU  19           2HB      LEU  19  -0.614 -10.868   6.604
  165    HG   LEU  19           HG       LEU  19   0.279 -11.192   8.880
  166   HD11  LEU  19          1HD1      LEU  19  -1.449 -12.791   7.633
  167   HD12  LEU  19          2HD1      LEU  19  -0.893 -13.151   9.268
  168   HD13  LEU  19          3HD1      LEU  19  -0.171 -13.978   7.888
  169   HD21  LEU  19          3HD2      LEU  19   2.358 -12.030   9.119
  170   HD22  LEU  19          1HD2      LEU  19   2.424 -12.423   7.401
  171   HD23  LEU  19          2HD2      LEU  19   1.765 -13.590   8.547
  172    H    VAL  20           H        VAL  20  -0.786 -11.782   3.588
  173    HA   VAL  20           HA       VAL  20  -3.004 -13.635   4.404
  174    HB   VAL  20           HB       VAL  20  -3.030 -11.014   3.726
  175   HG11  VAL  20          1HG1      VAL  20  -4.036 -10.894   1.436
  176   HG12  VAL  20          2HG1      VAL  20  -3.589 -12.583   1.205
  177   HG13  VAL  20          3HG1      VAL  20  -2.338 -11.365   1.430
  178   HG21  VAL  20          3HG2      VAL  20  -5.258 -12.925   2.993
  179   HG22  VAL  20          1HG2      VAL  20  -5.414 -11.252   3.529
  180   HG23  VAL  20          2HG2      VAL  20  -4.865 -12.492   4.657
  181    H    THR  21           H        THR  21  -0.856 -12.883   1.704
  182    HA   THR  21           HA       THR  21  -1.948 -14.729  -0.188
  183    HB   THR  21           HB       THR  21   0.823 -13.589   0.278
  184    HG1  THR  21           HG1      THR  21   0.026 -11.951  -0.739
  185   HG21  THR  21          3HG2      THR  21   1.257 -14.230  -2.089
  186   HG22  THR  21          1HG2      THR  21  -0.274 -15.104  -2.106
  187   HG23  THR  21          2HG2      THR  21   1.031 -15.631  -1.043
  188    H    GLY  22           H        GLY  22  -0.351 -15.307   2.770
  189    HA2  GLY  22           1HA      GLY  22  -0.558 -18.025   2.904
  190    HA3  GLY  22           2HA      GLY  22   0.919 -17.826   1.959
  Start of MODEL   17
    1    H1   PHE   1           1H       PHE   1  -0.156  16.628   3.466
    2    H2   PHE   1           2H       PHE   1   0.946  15.905   2.394
    3    H3   PHE   1           3H       PHE   1   1.511  16.853   3.685
    4    HA   PHE   1           HA       PHE   1   1.830  14.565   4.278
    5    HB2  PHE   1           1HB      PHE   1   0.416  14.618   6.328
    6    HB3  PHE   1           2HB      PHE   1   1.138  16.190   5.988
    7    HD1  PHE   1           HD1      PHE   1  -1.985  14.187   5.663
    8    HD2  PHE   1           HD2      PHE   1  -0.208  18.094   5.503
    9    HE1  PHE   1           HE1      PHE   1  -4.242  15.210   5.575
   10    HE2  PHE   1           HE2      PHE   1  -2.465  19.117   5.415
   11    HZ   PHE   1           HZ       PHE   1  -4.482  17.675   5.451
   12    H    PHE   2           H        PHE   2  -1.394  15.292   3.035
   13    HA   PHE   2           HA       PHE   2  -2.802  12.926   3.438
   14    HB2  PHE   2           1HB      PHE   2  -2.602  14.991   1.296
   15    HB3  PHE   2           2HB      PHE   2  -3.484  13.511   0.904
   16    HD1  PHE   2           HD1      PHE   2  -5.144  12.665   2.688
   17    HD2  PHE   2           HD2      PHE   2  -3.740  16.703   2.445
   18    HE1  PHE   2           HE1      PHE   2  -7.123  13.423   3.989
   19    HE2  PHE   2           HE2      PHE   2  -5.710  17.475   3.743
   20    HZ   PHE   2           HZ       PHE   2  -7.404  15.833   4.516
   21    H    HIS   3           H        HIS   3   0.045  13.419   1.464
   22    HA   HIS   3           HA       HIS   3  -0.242  10.952  -0.080
   23    HB2  HIS   3           1HB      HIS   3   1.499  13.286   0.126
   24    HB3  HIS   3           2HB      HIS   3   2.422  11.804  -0.116
   25    HD1  HIS   3           HD1      HIS   3   1.532  10.259  -2.193
   26    HD2  HIS   3           HD2      HIS   3   0.329  14.250  -2.193
   27    HE1  HIS   3           HE1      HIS   3   0.747  10.769  -4.546
   28    H    HIS   4           H        HIS   4   1.375  11.958   2.894
   29    HA   HIS   4           HA       HIS   4   3.037   9.652   3.239
   30    HB2  HIS   4           1HB      HIS   4   2.247  12.045   4.624
   31    HB3  HIS   4           2HB      HIS   4   2.230  10.684   5.744
   32    HD1  HIS   4           HD1      HIS   4   4.457   9.969   6.647
   33    HD2  HIS   4           HD2      HIS   4   4.854  12.246   3.178
   34    HE1  HIS   4           HE1      HIS   4   6.941  10.343   6.317
   35    H    ILE   5           H        ILE   5  -0.288   9.983   3.337
   36    HA   ILE   5           HA       ILE   5  -0.682   7.734   5.218
   37    HB   ILE   5           HB       ILE   5  -2.633   9.390   3.642
   38   HG12  ILE   5          1HG1      ILE   5  -1.214  10.908   4.825
   39   HG13  ILE   5          2HG1      ILE   5  -2.722  10.803   5.742
   40   HG21  ILE   5          1HG2      ILE   5  -4.166   8.830   5.509
   41   HG22  ILE   5          2HG2      ILE   5  -2.882   7.888   6.267
   42   HG23  ILE   5          3HG2      ILE   5  -3.560   7.371   4.723
   43   HD11  ILE   5          3HD1      ILE   5  -0.131   9.342   6.311
   44   HD12  ILE   5          1HD1      ILE   5  -1.638   9.066   7.185
   45   HD13  ILE   5          2HD1      ILE   5  -0.841  10.635   7.281
   46    H    PHE   6           H        PHE   6  -1.759   8.689   1.962
   47    HA   PHE   6           HA       PHE   6  -2.761   6.209   1.077
   48    HB2  PHE   6           1HB      PHE   6  -1.631   8.680  -0.077
   49    HB3  PHE   6           2HB      PHE   6  -1.438   7.273  -1.121
   50    HD1  PHE   6           HD1      PHE   6  -3.486   5.863  -1.668
   51    HD2  PHE   6           HD2      PHE   6  -3.741   9.735   0.175
   52    HE1  PHE   6           HE1      PHE   6  -5.871   6.022  -2.328
   53    HE2  PHE   6           HE2      PHE   6  -6.125   9.892  -0.484
   54    HZ   PHE   6           HZ       PHE   6  -7.192   8.035  -1.735
   55    H    ARG   7           H        ARG   7   0.529   7.393   1.415
   56    HA   ARG   7           HA       ARG   7   1.762   4.988   0.283
   57    HB2  ARG   7           1HB      ARG   7   2.486   7.657   1.312
   58    HB3  ARG   7           2HB      ARG   7   3.666   6.402   1.669
   59    HG2  ARG   7           1HG      ARG   7   3.079   5.847  -0.943
   60    HG3  ARG   7           2HG      ARG   7   2.930   7.605  -0.919
   61    HD2  ARG   7           1HD      ARG   7   5.312   6.314   0.392
   62    HD3  ARG   7           2HD      ARG   7   5.294   6.552  -1.366
   63    HE   ARG   7           HE       ARG   7   5.423   8.886  -1.001
   64   HH11  ARG   7          1HH1      ARG   7   5.684   7.282   1.934
   65   HH12  ARG   7          2HH1      ARG   7   5.220   8.632   2.915
   66   HH21  ARG   7          1HH2      ARG   7   4.290  10.610   0.224
   67   HH22  ARG   7          2HH2      ARG   7   4.433  10.515   1.947
   68    H    GLY   8           H        GLY   8   0.828   6.332   3.424
   69    HA2  GLY   8           1HA      GLY   8   2.327   4.367   4.976
   70    HA3  GLY   8           2HA      GLY   8   1.057   5.430   5.596
   71    H    ILE   9           H        ILE   9  -0.971   4.608   3.696
   72    HA   ILE   9           HA       ILE   9  -1.825   2.118   5.020
   73    HB   ILE   9           HB       ILE   9  -3.006   4.167   3.147
   74   HG12  ILE   9          1HG1      ILE   9  -4.536   4.522   5.020
   75   HG13  ILE   9          2HG1      ILE   9  -3.834   3.157   5.886
   76   HG21  ILE   9          1HG2      ILE   9  -4.289   1.568   4.044
   77   HG22  ILE   9          2HG2      ILE   9  -3.848   1.984   2.388
   78   HG23  ILE   9          3HG2      ILE   9  -5.124   2.880   3.214
   79   HD11  ILE   9          3HD1      ILE   9  -1.702   4.295   6.072
   80   HD12  ILE   9          1HD1      ILE   9  -2.961   5.390   6.645
   81   HD13  ILE   9          2HD1      ILE   9  -2.266   5.608   5.039
   82    H    VAL  10           H        VAL  10  -1.000   3.202   1.726
   83    HA   VAL  10           HA       VAL  10  -1.656   0.783   0.361
   84    HB   VAL  10           HB       VAL  10   0.308   3.034  -0.092
   85   HG11  VAL  10          1HG1      VAL  10   1.423   1.412  -1.320
   86   HG12  VAL  10          2HG1      VAL  10   0.253   1.965  -2.517
   87   HG13  VAL  10          3HG1      VAL  10  -0.044   0.478  -1.616
   88   HG21  VAL  10          3HG2      VAL  10  -1.905   2.382  -1.964
   89   HG22  VAL  10          1HG2      VAL  10  -1.359   3.951  -1.373
   90   HG23  VAL  10          2HG2      VAL  10  -2.393   2.938  -0.364
   91    H    HIS  11           H        HIS  11   1.550   1.878   1.547
   92    HA   HIS  11           HA       HIS  11   2.996  -0.480   0.978
   93    HB2  HIS  11           1HB      HIS  11   3.178   1.645   3.114
   94    HB3  HIS  11           2HB      HIS  11   4.387   0.370   2.971
   95    HD1  HIS  11           HD1      HIS  11   6.350   1.199   1.691
   96    HD2  HIS  11           HD2      HIS  11   2.786   2.759   0.193
   97    HE1  HIS  11           HE1      HIS  11   6.977   2.635  -0.299
   98    H    VAL  12           H        VAL  12   1.657   0.432   4.165
   99    HA   VAL  12           HA       VAL  12   2.069  -1.959   5.543
  100    HB   VAL  12           HB       VAL  12   0.003  -1.230   6.812
  101   HG11  VAL  12          1HG1      VAL  12   2.253   0.608   6.094
  102   HG12  VAL  12          2HG1      VAL  12   1.904  -0.179   7.633
  103   HG13  VAL  12          3HG1      VAL  12   0.951   1.214   7.118
  104   HG21  VAL  12          3HG2      VAL  12  -0.122   0.750   4.543
  105   HG22  VAL  12          1HG2      VAL  12  -1.001   0.925   6.061
  106   HG23  VAL  12          2HG2      VAL  12  -1.350  -0.433   4.992
  107    H    GLY  13           H        GLY  13  -0.523  -1.155   3.253
  108    HA2  GLY  13           1HA      GLY  13  -2.132  -3.464   3.581
  109    HA3  GLY  13           2HA      GLY  13  -1.986  -2.560   2.070
  110    H    LYS  14           H        LYS  14   0.977  -3.009   2.032
  111    HA   LYS  14           HA       LYS  14   0.979  -5.457   0.491
  112    HB2  LYS  14           1HB      LYS  14   2.480  -3.572   0.044
  113    HB3  LYS  14           2HB      LYS  14   3.187  -3.727   1.652
  114    HG2  LYS  14           1HG      LYS  14   3.238  -6.242   0.158
  115    HG3  LYS  14           2HG      LYS  14   4.136  -4.954  -0.648
  116    HD2  LYS  14           1HD      LYS  14   4.493  -5.394   2.305
  117    HD3  LYS  14           2HD      LYS  14   5.349  -6.423   1.155
  118    HE2  LYS  14           1HE      LYS  14   5.447  -3.384   1.143
  119    HE3  LYS  14           2HE      LYS  14   6.717  -4.439   1.798
  120    HZ1  LYS  14           3HZ      LYS  14   5.910  -4.009  -0.974
  121    HZ2  LYS  14           1HZ      LYS  14   6.331  -5.594  -0.543
  122    HZ3  LYS  14           2HZ      LYS  14   7.449  -4.332  -0.331
  123    H    THR  15           H        THR  15   1.968  -4.599   3.777
  124    HA   THR  15           HA       THR  15   3.280  -7.027   4.489
  125    HB   THR  15           HB       THR  15   1.587  -5.085   6.102
  126    HG1  THR  15           HG1      THR  15   4.289  -5.205   5.320
  127   HG21  THR  15          3HG2      THR  15   3.786  -6.399   7.481
  128   HG22  THR  15          1HG2      THR  15   2.605  -7.564   6.886
  129   HG23  THR  15          2HG2      THR  15   2.094  -6.258   7.956
  130    H    ILE  16           H        ILE  16  -0.019  -6.364   3.781
  131    HA   ILE  16           HA       ILE  16  -1.110  -8.603   5.370
  132    HB   ILE  16           HB       ILE  16  -2.278  -6.730   3.286
  133   HG12  ILE  16          1HG1      ILE  16  -2.565  -6.744   6.307
  134   HG13  ILE  16          2HG1      ILE  16  -1.468  -5.682   5.421
  135   HG21  ILE  16          1HG2      ILE  16  -3.990  -8.208   3.263
  136   HG22  ILE  16          2HG2      ILE  16  -4.326  -7.673   4.909
  137   HG23  ILE  16          3HG2      ILE  16  -3.332  -9.104   4.633
  138   HD11  ILE  16          3HD1      ILE  16  -3.876  -5.345   4.090
  139   HD12  ILE  16          1HD1      ILE  16  -3.207  -4.241   5.291
  140   HD13  ILE  16          2HD1      ILE  16  -4.367  -5.477   5.779
  141    H    HIS  17           H        HIS  17  -0.975  -7.862   1.847
  142    HA   HIS  17           HA       HIS  17  -1.912 -10.248   0.814
  143    HB2  HIS  17           1HB      HIS  17   0.384  -8.451   0.089
  144    HB3  HIS  17           2HB      HIS  17  -0.015  -9.842  -0.911
  145    HD1  HIS  17           HD1      HIS  17  -0.636  -7.918  -2.741
  146    HD2  HIS  17           HD2      HIS  17  -3.168  -8.212   0.558
  147    HE1  HIS  17           HE1      HIS  17  -2.766  -6.693  -3.361
  148    H    ARG  18           H        ARG  18   1.442  -9.659   1.929
  149    HA   ARG  18           HA       ARG  18   2.262 -12.398   1.504
  150    HB2  ARG  18           1HB      ARG  18   3.618 -10.172   1.737
  151    HB3  ARG  18           2HB      ARG  18   3.491 -10.468   3.472
  152    HG2  ARG  18           1HG      ARG  18   4.247 -12.930   2.286
  153    HG3  ARG  18           2HG      ARG  18   5.276 -11.688   1.573
  154    HD2  ARG  18           1HD      ARG  18   5.551 -10.851   4.045
  155    HD3  ARG  18           2HD      ARG  18   5.022 -12.492   4.463
  156    HE   ARG  18           HE       ARG  18   6.964 -12.748   2.423
  157   HH11  ARG  18          1HH1      ARG  18   6.576 -11.996   5.756
  158   HH12  ARG  18          2HH1      ARG  18   8.252 -12.202   6.139
  159   HH21  ARG  18          1HH2      ARG  18   9.196 -12.856   2.868
  160   HH22  ARG  18          2HH2      ARG  18   9.734 -12.689   4.506
  161    H    LEU  19           H        LEU  19   1.373 -10.534   4.410
  162    HA   LEU  19           HA       LEU  19   1.524 -12.728   6.240
  163    HB2  LEU  19           1HB      LEU  19   1.378 -10.239   6.716
  164    HB3  LEU  19           2HB      LEU  19  -0.334 -10.328   6.298
  165    HG   LEU  19           HG       LEU  19   0.681 -12.314   8.274
  166   HD11  LEU  19          1HD1      LEU  19   1.196 -10.847   9.921
  167   HD12  LEU  19          2HD1      LEU  19  -0.164  -9.800   9.521
  168   HD13  LEU  19          3HD1      LEU  19   1.354  -9.649   8.637
  169   HD21  LEU  19          3HD2      LEU  19  -1.833 -10.923   7.524
  170   HD22  LEU  19          1HD2      LEU  19  -1.627 -11.261   9.243
  171   HD23  LEU  19          2HD2      LEU  19  -1.585 -12.580   8.074
  172    H    VAL  20           H        VAL  20  -0.691 -11.937   3.693
  173    HA   VAL  20           HA       VAL  20  -2.803 -13.688   4.886
  174    HB   VAL  20           HB       VAL  20  -2.912 -11.288   3.588
  175   HG11  VAL  20          1HG1      VAL  20  -2.331 -12.181   1.416
  176   HG12  VAL  20          2HG1      VAL  20  -4.049 -11.797   1.404
  177   HG13  VAL  20          3HG1      VAL  20  -3.519 -13.469   1.585
  178   HG21  VAL  20          3HG2      VAL  20  -5.114 -13.350   3.454
  179   HG22  VAL  20          1HG2      VAL  20  -5.282 -11.600   3.611
  180   HG23  VAL  20          2HG2      VAL  20  -4.649 -12.549   4.956
  181    H    THR  21           H        THR  21  -0.868 -13.427   1.914
  182    HA   THR  21           HA       THR  21  -1.797 -15.616   0.482
  183    HB   THR  21           HB       THR  21   0.306 -13.887   0.369
  184    HG1  THR  21           HG1      THR  21  -0.162 -16.295  -1.025
  185   HG21  THR  21          3HG2      THR  21   2.400 -15.159   0.336
  186   HG22  THR  21          1HG2      THR  21   1.538 -16.617   0.829
  187   HG23  THR  21          2HG2      THR  21   1.659 -15.247   1.935
  188    H    GLY  22           H        GLY  22  -0.074 -15.587   3.509
  189    HA2  GLY  22           1HA      GLY  22   0.863 -18.291   3.540
  190    HA3  GLY  22           2HA      GLY  22   0.538 -17.318   4.974
  Start of MODEL   18
    1    H1   PHE   1           1H       PHE   1   1.401  16.462   3.621
    2    H2   PHE   1           2H       PHE   1   0.491  15.708   2.400
    3    H3   PHE   1           3H       PHE   1   1.605  14.807   3.314
    4    HA   PHE   1           HA       PHE   1   0.269  15.166   5.320
    5    HB2  PHE   1           1HB      PHE   1  -1.429  16.633   3.277
    6    HB3  PHE   1           2HB      PHE   1  -1.951  16.280   4.924
    7    HD1  PHE   1           HD1      PHE   1   0.579  16.674   6.426
    8    HD2  PHE   1           HD2      PHE   1  -1.164  18.985   3.252
    9    HE1  PHE   1           HE1      PHE   1   1.774  18.690   7.237
   10    HE2  PHE   1           HE2      PHE   1   0.031  21.001   4.064
   11    HZ   PHE   1           HZ       PHE   1   1.501  20.853   6.057
   12    H    PHE   2           H        PHE   2  -2.239  14.996   2.877
   13    HA   PHE   2           HA       PHE   2  -3.180  12.436   3.585
   14    HB2  PHE   2           1HB      PHE   2  -4.274  14.227   2.185
   15    HB3  PHE   2           2HB      PHE   2  -3.253  13.719   0.837
   16    HD1  PHE   2           HD2      PHE   2  -5.624  12.401   3.375
   17    HD2  PHE   2           HD1      PHE   2  -3.980  11.961  -0.556
   18    HE1  PHE   2           HE2      PHE   2  -7.242  10.571   2.910
   19    HE2  PHE   2           HE1      PHE   2  -5.591  10.133  -1.033
   20    HZ   PHE   2           HZ       PHE   2  -7.223   9.437   0.702
   21    H    HIS   3           H        HIS   3  -0.599  13.361   1.367
   22    HA   HIS   3           HA       HIS   3  -0.285  10.797   0.079
   23    HB2  HIS   3           1HB      HIS   3   0.614  13.292  -0.344
   24    HB3  HIS   3           2HB      HIS   3   2.016  12.653   0.514
   25    HD1  HIS   3           HD1      HIS   3   1.697  13.314  -2.673
   26    HD2  HIS   3           HD2      HIS   3   1.799   9.561  -0.860
   27    HE1  HIS   3           HE1      HIS   3   2.426  11.674  -4.460
   28    H    HIS   4           H        HIS   4   0.858  12.165   3.106
   29    HA   HIS   4           HA       HIS   4   2.914  10.195   3.621
   30    HB2  HIS   4           1HB      HIS   4   1.641  12.504   4.867
   31    HB3  HIS   4           2HB      HIS   4   2.029  11.245   6.038
   32    HD1  HIS   4           HD1      HIS   4   4.063  12.460   7.060
   33    HD2  HIS   4           HD2      HIS   4   4.367  11.916   2.939
   34    HE1  HIS   4           HE1      HIS   4   6.448  13.043   6.435
   35    H    ILE   5           H        ILE   5  -0.446  10.098   3.708
   36    HA   ILE   5           HA       ILE   5  -0.498   7.876   5.682
   37    HB   ILE   5           HB       ILE   5  -2.689   9.376   4.277
   38   HG12  ILE   5          1HG1      ILE   5  -1.288  10.956   5.405
   39   HG13  ILE   5          2HG1      ILE   5  -2.735  10.743   6.401
   40   HG21  ILE   5          1HG2      ILE   5  -2.642   7.184   6.147
   41   HG22  ILE   5          2HG2      ILE   5  -4.043   7.954   5.401
   42   HG23  ILE   5          3HG2      ILE   5  -3.391   8.584   6.915
   43   HD11  ILE   5          3HD1      ILE   5  -1.504   9.104   7.789
   44   HD12  ILE   5          1HD1      ILE   5  -0.695  10.674   7.786
   45   HD13  ILE   5          2HD1      ILE   5  -0.070   9.355   6.791
   46    H    PHE   6           H        PHE   6  -1.740   8.724   2.456
   47    HA   PHE   6           HA       PHE   6  -2.721   6.210   1.638
   48    HB2  PHE   6           1HB      PHE   6  -2.524   8.567   0.457
   49    HB3  PHE   6           2HB      PHE   6  -1.003   7.925  -0.160
   50    HD1  PHE   6           HD2      PHE   6  -0.980   5.885  -1.580
   51    HD2  PHE   6           HD1      PHE   6  -4.647   7.737  -0.330
   52    HE1  PHE   6           HE2      PHE   6  -2.212   4.616  -3.319
   53    HE2  PHE   6           HE1      PHE   6  -5.880   6.470  -2.068
   54    HZ   PHE   6           HZ       PHE   6  -4.663   4.909  -3.563
   55    H    ARG   7           H        ARG   7   0.559   7.483   1.794
   56    HA   ARG   7           HA       ARG   7   1.839   5.076   0.767
   57    HB2  ARG   7           1HB      ARG   7   2.496   7.770   1.777
   58    HB3  ARG   7           2HB      ARG   7   3.699   6.545   2.159
   59    HG2  ARG   7           1HG      ARG   7   4.089   6.041  -0.113
   60    HG3  ARG   7           2HG      ARG   7   2.581   6.797  -0.625
   61    HD2  ARG   7           1HD      ARG   7   3.682   8.744  -0.966
   62    HD3  ARG   7           2HD      ARG   7   4.158   8.770   0.744
   63    HE   ARG   7           HE       ARG   7   5.741   7.540  -1.461
   64   HH11  ARG   7          1HH1      ARG   7   5.217   7.617   1.908
   65   HH12  ARG   7          2HH1      ARG   7   6.897   7.698   2.320
   66   HH21  ARG   7          1HH2      ARG   7   7.963   7.983  -0.967
   67   HH22  ARG   7          2HH2      ARG   7   8.452   7.906   0.692
   68    H    GLY   8           H        GLY   8   0.915   6.457   3.913
   69    HA2  GLY   8           1HA      GLY   8   2.414   4.521   5.485
   70    HA3  GLY   8           2HA      GLY   8   1.101   5.545   6.082
   71    H    ILE   9           H        ILE   9  -0.913   4.706   4.250
   72    HA   ILE   9           HA       ILE   9  -1.702   2.175   5.508
   73    HB   ILE   9           HB       ILE   9  -2.978   4.011   3.455
   74   HG12  ILE   9          1HG1      ILE   9  -4.058   3.736   6.199
   75   HG13  ILE   9          2HG1      ILE   9  -2.480   4.516   6.091
   76   HG21  ILE   9          1HG2      ILE   9  -4.324   2.210   3.108
   77   HG22  ILE   9          2HG2      ILE   9  -5.012   2.636   4.675
   78   HG23  ILE   9          3HG2      ILE   9  -3.766   1.392   4.567
   79   HD11  ILE   9          3HD1      ILE   9  -3.320   6.183   4.571
   80   HD12  ILE   9          1HD1      ILE   9  -4.453   6.096   5.920
   81   HD13  ILE   9          2HD1      ILE   9  -4.849   5.323   4.384
   82    H    VAL  10           H        VAL  10  -0.769   3.299   2.263
   83    HA   VAL  10           HA       VAL  10  -1.413   0.961   0.788
   84    HB   VAL  10           HB       VAL  10   0.615   3.175   0.574
   85   HG11  VAL  10          1HG1      VAL  10   0.402   0.727  -1.195
   86   HG12  VAL  10          2HG1      VAL  10   1.842   1.363  -0.400
   87   HG13  VAL  10          3HG1      VAL  10   1.119   2.240  -1.748
   88   HG21  VAL  10          3HG2      VAL  10  -0.818   4.000  -1.062
   89   HG22  VAL  10          1HG2      VAL  10  -1.971   3.178  -0.010
   90   HG23  VAL  10          2HG2      VAL  10  -1.417   2.398  -1.491
   91    H    HIS  11           H        HIS  11   1.800   1.821   2.162
   92    HA   HIS  11           HA       HIS  11   3.096  -0.630   1.648
   93    HB2  HIS  11           1HB      HIS  11   3.372   1.269   3.995
   94    HB3  HIS  11           2HB      HIS  11   4.584   0.095   3.488
   95    HD1  HIS  11           HD1      HIS  11   4.525   3.439   3.376
   96    HD2  HIS  11           HD2      HIS  11   4.508   0.698   0.240
   97    HE1  HIS  11           HE1      HIS  11   5.401   4.672   1.345
   98    H    VAL  12           H        VAL  12   1.625   0.348   4.758
   99    HA   VAL  12           HA       VAL  12   1.823  -2.101   6.118
  100    HB   VAL  12           HB       VAL  12  -0.106  -1.199   7.410
  101   HG11  VAL  12          1HG1      VAL  12   1.732  -0.073   8.191
  102   HG12  VAL  12          2HG1      VAL  12   0.921   1.297   7.431
  103   HG13  VAL  12          3HG1      VAL  12   2.215   0.455   6.579
  104   HG21  VAL  12          3HG2      VAL  12  -0.244   0.857   5.213
  105   HG22  VAL  12          1HG2      VAL  12  -1.272   0.772   6.641
  106   HG23  VAL  12          2HG2      VAL  12  -1.385  -0.473   5.399
  107    H    GLY  13           H        GLY  13  -0.533  -1.054   3.696
  108    HA2  GLY  13           1HA      GLY  13  -2.279  -3.345   4.009
  109    HA3  GLY  13           2HA      GLY  13  -2.290  -2.219   2.650
  110    H    LYS  14           H        LYS  14   0.656  -2.681   2.216
  111    HA   LYS  14           HA       LYS  14   0.368  -4.961   0.413
  112    HB2  LYS  14           1HB      LYS  14   1.776  -2.653   0.394
  113    HB3  LYS  14           2HB      LYS  14   3.014  -3.740   1.026
  114    HG2  LYS  14           1HG      LYS  14   1.791  -5.144  -1.086
  115    HG3  LYS  14           2HG      LYS  14   2.021  -3.499  -1.680
  116    HD2  LYS  14           1HD      LYS  14   4.358  -4.253  -0.218
  117    HD3  LYS  14           2HD      LYS  14   3.989  -5.540  -1.368
  118    HE2  LYS  14           1HE      LYS  14   4.355  -2.589  -1.998
  119    HE3  LYS  14           2HE      LYS  14   5.382  -3.936  -2.532
  120    HZ1  LYS  14           3HZ      LYS  14   2.705  -3.176  -3.427
  121    HZ2  LYS  14           1HZ      LYS  14   3.037  -4.836  -3.321
  122    HZ3  LYS  14           2HZ      LYS  14   3.995  -3.841  -4.311
  123    H    THR  15           H        THR  15   2.139  -4.267   3.410
  124    HA   THR  15           HA       THR  15   3.592  -6.713   3.602
  125    HB   THR  15           HB       THR  15   2.380  -5.204   5.925
  126    HG1  THR  15           HG1      THR  15   4.550  -4.434   4.269
  127   HG21  THR  15          3HG2      THR  15   5.036  -5.605   6.431
  128   HG22  THR  15          1HG2      THR  15   4.659  -7.016   5.443
  129   HG23  THR  15          2HG2      THR  15   3.755  -6.712   6.926
  130    H    ILE  16           H        ILE  16   0.226  -6.056   3.819
  131    HA   ILE  16           HA       ILE  16  -0.418  -8.401   5.497
  132    HB   ILE  16           HB       ILE  16  -1.981  -6.293   3.983
  133   HG12  ILE  16          1HG1      ILE  16  -2.106  -6.863   6.931
  134   HG13  ILE  16          2HG1      ILE  16  -0.734  -5.963   6.281
  135   HG21  ILE  16          1HG2      ILE  16  -3.680  -7.790   3.909
  136   HG22  ILE  16          2HG2      ILE  16  -3.776  -7.571   5.657
  137   HG23  ILE  16          3HG2      ILE  16  -2.846  -8.911   4.986
  138   HD11  ILE  16          3HD1      ILE  16  -3.490  -5.090   6.693
  139   HD12  ILE  16          1HD1      ILE  16  -2.938  -4.792   5.045
  140   HD13  ILE  16          2HD1      ILE  16  -2.041  -4.126   6.410
  141    H    HIS  17           H        HIS  17  -0.955  -7.442   2.074
  142    HA   HIS  17           HA       HIS  17  -2.213  -9.729   1.121
  143    HB2  HIS  17           1HB      HIS  17  -0.020  -7.977   0.053
  144    HB3  HIS  17           2HB      HIS  17  -0.691  -9.280  -0.921
  145    HD1  HIS  17           HD1      HIS  17  -3.338  -9.150  -1.378
  146    HD2  HIS  17           HD2      HIS  17  -1.613  -5.681   0.161
  147    HE1  HIS  17           HE1      HIS  17  -5.014  -7.289  -1.756
  148    H    ARG  18           H        ARG  18   1.284  -9.306   1.719
  149    HA   ARG  18           HA       ARG  18   1.923 -12.029   0.938
  150    HB2  ARG  18           1HB      ARG  18   3.382  -9.856   1.054
  151    HB3  ARG  18           2HB      ARG  18   3.566 -10.271   2.759
  152    HG2  ARG  18           1HG      ARG  18   4.124 -12.672   1.718
  153    HG3  ARG  18           2HG      ARG  18   4.609 -11.679   0.343
  154    HD2  ARG  18           1HD      ARG  18   6.565 -11.279   1.415
  155    HD3  ARG  18           2HD      ARG  18   5.649 -10.396   2.652
  156    HE   ARG  18           HE       ARG  18   5.786 -13.365   2.832
  157   HH11  ARG  18          1HH1      ARG  18   8.320 -11.939   3.695
  158   HH12  ARG  18          2HH1      ARG  18   8.037 -11.731   5.390
  159   HH21  ARG  18          1HH2      ARG  18   4.636 -12.362   5.169
  160   HH22  ARG  18          2HH2      ARG  18   5.951 -11.971   6.225
  161    H    LEU  19           H        LEU  19   1.617 -10.330   4.052
  162    HA   LEU  19           HA       LEU  19   2.025 -12.647   5.695
  163    HB2  LEU  19           1HB      LEU  19   2.197 -10.424   6.607
  164    HB3  LEU  19           2HB      LEU  19   0.580 -10.002   6.040
  165    HG   LEU  19           HG       LEU  19   0.622 -12.380   7.759
  166   HD11  LEU  19          1HD1      LEU  19   0.965 -11.067   9.848
  167   HD12  LEU  19          2HD1      LEU  19   1.448  -9.681   8.871
  168   HD13  LEU  19          3HD1      LEU  19   2.426 -11.149   8.864
  169   HD21  LEU  19          3HD2      LEU  19  -1.195 -10.479   6.904
  170   HD22  LEU  19          1HD2      LEU  19  -0.890  -9.995   8.571
  171   HD23  LEU  19          2HD2      LEU  19  -1.469 -11.623   8.218
  172    H    VAL  20           H        VAL  20  -0.564 -11.632   3.636
  173    HA   VAL  20           HA       VAL  20  -2.494 -13.417   5.086
  174    HB   VAL  20           HB       VAL  20  -2.754 -10.885   4.163
  175   HG11  VAL  20          1HG1      VAL  20  -4.209 -11.022   2.133
  176   HG12  VAL  20          2HG1      VAL  20  -3.772 -12.724   1.992
  177   HG13  VAL  20          3HG1      VAL  20  -2.536 -11.481   1.822
  178   HG21  VAL  20          3HG2      VAL  20  -4.992 -12.927   4.149
  179   HG22  VAL  20          1HG2      VAL  20  -5.138 -11.195   4.451
  180   HG23  VAL  20          2HG2      VAL  20  -4.307 -12.226   5.616
  181    H    THR  21           H        THR  21  -0.978 -12.933   1.931
  182    HA   THR  21           HA       THR  21  -2.373 -14.975   0.504
  183    HB   THR  21           HB       THR  21   0.416 -13.805   0.284
  184    HG1  THR  21           HG1      THR  21  -0.731 -12.226  -0.452
  185   HG21  THR  21          3HG2      THR  21   0.152 -14.642  -2.143
  186   HG22  THR  21          1HG2      THR  21  -1.093 -15.712  -1.497
  187   HG23  THR  21          2HG2      THR  21   0.567 -15.837  -0.914
  188    H    GLY  22           H        GLY  22  -0.185 -15.229   3.117
  189    HA2  GLY  22           1HA      GLY  22   0.123 -18.146   2.562
  190    HA3  GLY  22           2HA      GLY  22   1.515 -17.198   3.087
  Start of MODEL   19
    1    H1   PHE   1           1H       PHE   1  -0.364  15.465   6.720
    2    H2   PHE   1           2H       PHE   1  -1.726  15.300   5.719
    3    H3   PHE   1           3H       PHE   1  -0.179  15.451   5.034
    4    HA   PHE   1           HA       PHE   1   0.481  13.308   5.825
    5    HB2  PHE   1           1HB      PHE   1  -2.176  13.527   7.277
    6    HB3  PHE   1           2HB      PHE   1  -1.193  12.063   7.244
    7    HD1  PHE   1           HD1      PHE   1   1.525  12.949   7.513
    8    HD2  PHE   1           HD2      PHE   1  -2.007  14.519   9.386
    9    HE1  PHE   1           HE1      PHE   1   2.905  13.832   9.375
   10    HE2  PHE   1           HE2      PHE   1  -0.629  15.401  11.248
   11    HZ   PHE   1           HZ       PHE   1   1.828  15.057  11.244
   12    H    PHE   2           H        PHE   2  -1.062  14.553   3.557
   13    HA   PHE   2           HA       PHE   2  -3.128  12.698   2.728
   14    HB2  PHE   2           1HB      PHE   2  -2.844  15.082   2.017
   15    HB3  PHE   2           2HB      PHE   2  -1.406  14.604   1.109
   16    HD1  PHE   2           HD2      PHE   2  -4.998  13.754   1.552
   17    HD2  PHE   2           HD1      PHE   2  -1.652  13.889  -1.120
   18    HE1  PHE   2           HE2      PHE   2  -6.478  13.072  -0.326
   19    HE2  PHE   2           HE1      PHE   2  -3.119  13.211  -3.004
   20    HZ   PHE   2           HZ       PHE   2  -5.533  12.800  -2.606
   21    H    HIS   3           H        HIS   3   0.347  13.004   2.094
   22    HA   HIS   3           HA       HIS   3   0.272  10.539   0.417
   23    HB2  HIS   3           1HB      HIS   3   2.099  12.883   0.821
   24    HB3  HIS   3           2HB      HIS   3   2.775  11.384   0.183
   25    HD1  HIS   3           HD1      HIS   3   0.533  10.412  -1.624
   26    HD2  HIS   3           HD2      HIS   3   1.716  14.405  -1.462
   27    HE1  HIS   3           HE1      HIS   3  -0.208  11.467  -3.804
   28    H    HIS   4           H        HIS   4   1.551  11.834   3.438
   29    HA   HIS   4           HA       HIS   4   3.387   9.725   4.047
   30    HB2  HIS   4           1HB      HIS   4   2.146  12.044   5.287
   31    HB3  HIS   4           2HB      HIS   4   2.346  10.725   6.438
   32    HD1  HIS   4           HD1      HIS   4   4.471  11.157   7.680
   33    HD2  HIS   4           HD2      HIS   4   4.880  11.961   3.610
   34    HE1  HIS   4           HE1      HIS   4   6.900  11.773   7.311
   35    H    ILE   5           H        ILE   5   0.014   9.777   3.928
   36    HA   ILE   5           HA       ILE   5  -0.189   7.378   5.695
   37    HB   ILE   5           HB       ILE   5  -2.261   9.262   4.602
   38   HG12  ILE   5          1HG1      ILE   5  -0.679  10.482   5.939
   39   HG13  ILE   5          2HG1      ILE   5  -2.144  10.270   6.907
   40   HG21  ILE   5          1HG2      ILE   5  -2.465   6.783   5.973
   41   HG22  ILE   5          2HG2      ILE   5  -3.772   7.907   5.605
   42   HG23  ILE   5          3HG2      ILE   5  -2.900   8.037   7.132
   43   HD11  ILE   5          3HD1      ILE   5   0.342   8.547   7.030
   44   HD12  ILE   5          1HD1      ILE   5  -1.111   8.311   8.000
   45   HD13  ILE   5          2HD1      ILE   5  -0.123   9.755   8.228
   46    H    PHE   6           H        PHE   6  -1.334   8.744   2.620
   47    HA   PHE   6           HA       PHE   6  -2.617   6.464   1.552
   48    HB2  PHE   6           1HB      PHE   6  -1.816   8.978   0.674
   49    HB3  PHE   6           2HB      PHE   6  -0.846   7.896  -0.326
   50    HD1  PHE   6           HD1      PHE   6  -1.909   6.291  -1.855
   51    HD2  PHE   6           HD2      PHE   6  -4.245   9.012   0.509
   52    HE1  PHE   6           HE1      PHE   6  -3.895   5.811  -3.262
   53    HE2  PHE   6           HE2      PHE   6  -6.230   8.531  -0.897
   54    HZ   PHE   6           HZ       PHE   6  -6.055   6.930  -2.783
   55    H    ARG   7           H        ARG   7   0.746   7.206   2.076
   56    HA   ARG   7           HA       ARG   7   1.721   4.811   0.667
   57    HB2  ARG   7           1HB      ARG   7   2.742   7.289   1.919
   58    HB3  ARG   7           2HB      ARG   7   3.782   5.886   2.118
   59    HG2  ARG   7           1HG      ARG   7   3.432   5.512  -0.418
   60    HG3  ARG   7           2HG      ARG   7   2.850   7.177  -0.437
   61    HD2  ARG   7           1HD      ARG   7   5.485   6.530   0.880
   62    HD3  ARG   7           2HD      ARG   7   5.395   6.761  -0.877
   63    HE   ARG   7           HE       ARG   7   4.375   9.001  -0.416
   64   HH11  ARG   7          1HH1      ARG   7   5.030   7.394   2.485
   65   HH12  ARG   7          2HH1      ARG   7   5.749   8.760   3.271
   66   HH21  ARG   7          1HH2      ARG   7   5.717  10.747   0.430
   67   HH22  ARG   7          2HH2      ARG   7   6.138  10.658   2.108
   68    H    GLY   8           H        GLY   8   0.968   5.999   3.920
   69    HA2  GLY   8           1HA      GLY   8   2.217   3.749   5.293
   70    HA3  GLY   8           2HA      GLY   8   1.090   4.907   6.010
   71    H    ILE   9           H        ILE   9  -1.012   4.486   4.033
   72    HA   ILE   9           HA       ILE   9  -2.184   2.038   5.183
   73    HB   ILE   9           HB       ILE   9  -3.165   4.172   3.258
   74   HG12  ILE   9          1HG1      ILE   9  -4.175   3.774   6.049
   75   HG13  ILE   9          2HG1      ILE   9  -2.608   4.555   5.833
   76   HG21  ILE   9          1HG2      ILE   9  -4.887   2.789   2.823
   77   HG22  ILE   9          2HG2      ILE   9  -5.323   2.873   4.530
   78   HG23  ILE   9          3HG2      ILE   9  -4.262   1.587   3.953
   79   HD11  ILE   9          3HD1      ILE   9  -3.595   6.241   4.380
   80   HD12  ILE   9          1HD1      ILE   9  -4.501   6.188   5.893
   81   HD13  ILE   9          2HD1      ILE   9  -5.159   5.425   4.444
   82    H    VAL  10           H        VAL  10  -1.183   3.230   1.972
   83    HA   VAL  10           HA       VAL  10  -2.109   0.981   0.464
   84    HB   VAL  10           HB       VAL  10   0.069   3.049   0.132
   85   HG11  VAL  10          1HG1      VAL  10   0.818   1.012  -1.036
   86   HG12  VAL  10          2HG1      VAL  10   0.339   2.253  -2.194
   87   HG13  VAL  10          3HG1      VAL  10  -0.740   0.900  -1.852
   88   HG21  VAL  10          3HG2      VAL  10  -1.465   4.131  -1.248
   89   HG22  VAL  10          1HG2      VAL  10  -2.550   3.380  -0.078
   90   HG23  VAL  10          2HG2      VAL  10  -2.305   2.636  -1.659
   91    H    HIS  11           H        HIS  11   0.894   1.548   2.262
   92    HA   HIS  11           HA       HIS  11   2.205  -0.878   1.331
   93    HB2  HIS  11           1HB      HIS  11   2.622   1.137   3.540
   94    HB3  HIS  11           2HB      HIS  11   3.679  -0.262   3.360
   95    HD1  HIS  11           HD1      HIS  11   5.766   0.676   2.333
   96    HD2  HIS  11           HD2      HIS  11   2.333   2.080   0.432
   97    HE1  HIS  11           HE1      HIS  11   6.552   2.012   0.330
   98    H    VAL  12           H        VAL  12   0.813   0.057   4.488
   99    HA   VAL  12           HA       VAL  12   1.035  -2.339   5.883
  100    HB   VAL  12           HB       VAL  12  -1.075  -1.543   7.009
  101   HG11  VAL  12          1HG1      VAL  12  -0.165   0.846   7.413
  102   HG12  VAL  12          2HG1      VAL  12   1.140   0.379   6.321
  103   HG13  VAL  12          3HG1      VAL  12   0.885  -0.510   7.823
  104   HG21  VAL  12          3HG2      VAL  12  -2.250   0.354   6.149
  105   HG22  VAL  12          1HG2      VAL  12  -2.102  -0.798   4.820
  106   HG23  VAL  12          2HG2      VAL  12  -1.034   0.603   4.897
  107    H    GLY  13           H        GLY  13  -1.086  -1.573   3.196
  108    HA2  GLY  13           1HA      GLY  13  -2.811  -3.886   3.516
  109    HA3  GLY  13           2HA      GLY  13  -2.722  -2.855   2.089
  110    H    LYS  14           H        LYS  14   0.192  -3.210   1.778
  111    HA   LYS  14           HA       LYS  14   0.102  -5.699   0.257
  112    HB2  LYS  14           1HB      LYS  14   2.032  -4.868  -0.720
  113    HB3  LYS  14           2HB      LYS  14   1.341  -3.372  -0.109
  114    HG2  LYS  14           1HG      LYS  14   2.787  -3.440   1.838
  115    HG3  LYS  14           2HG      LYS  14   3.378  -5.039   1.392
  116    HD2  LYS  14           1HD      LYS  14   5.009  -4.042   0.208
  117    HD3  LYS  14           2HD      LYS  14   3.771  -3.415  -0.880
  118    HE2  LYS  14           1HE      LYS  14   3.667  -1.341   0.219
  119    HE3  LYS  14           2HE      LYS  14   4.352  -1.998   1.720
  120    HZ1  LYS  14           3HZ      LYS  14   6.455  -2.203   0.763
  121    HZ2  LYS  14           1HZ      LYS  14   5.916  -0.695   0.205
  122    HZ3  LYS  14           2HZ      LYS  14   5.863  -2.047  -0.822
  123    H    THR  15           H        THR  15   1.922  -4.540   3.067
  124    HA   THR  15           HA       THR  15   3.456  -6.832   3.568
  125    HB   THR  15           HB       THR  15   2.112  -4.823   5.400
  126    HG1  THR  15           HG1      THR  15   3.997  -3.778   5.224
  127   HG21  THR  15          3HG2      THR  15   2.589  -6.810   6.717
  128   HG22  THR  15          1HG2      THR  15   3.784  -5.572   7.102
  129   HG23  THR  15          2HG2      THR  15   4.214  -6.911   6.038
  130    H    ILE  16           H        ILE  16   0.031  -6.378   3.799
  131    HA   ILE  16           HA       ILE  16  -0.410  -8.657   5.626
  132    HB   ILE  16           HB       ILE  16  -2.208  -6.835   3.993
  133   HG12  ILE  16          1HG1      ILE  16  -1.952  -6.964   6.995
  134   HG13  ILE  16          2HG1      ILE  16  -0.831  -5.996   6.036
  135   HG21  ILE  16          1HG2      ILE  16  -2.756  -9.327   5.426
  136   HG22  ILE  16          2HG2      ILE  16  -3.786  -8.423   4.317
  137   HG23  ILE  16          3HG2      ILE  16  -3.721  -7.977   6.023
  138   HD11  ILE  16          3HD1      ILE  16  -3.750  -5.598   6.514
  139   HD12  ILE  16          1HD1      ILE  16  -3.118  -5.150   4.930
  140   HD13  ILE  16          2HD1      ILE  16  -2.460  -4.403   6.386
  141    H    HIS  17           H        HIS  17  -1.041  -7.937   2.162
  142    HA   HIS  17           HA       HIS  17  -2.183 -10.369   1.398
  143    HB2  HIS  17           1HB      HIS  17  -0.142  -8.559   0.121
  144    HB3  HIS  17           2HB      HIS  17  -0.836  -9.929  -0.738
  145    HD1  HIS  17           HD1      HIS  17  -3.736  -9.846  -0.040
  146    HD2  HIS  17           HD2      HIS  17  -1.571  -6.356  -0.753
  147    HE1  HIS  17           HE1      HIS  17  -5.429  -8.068  -0.657
  148    H    ARG  18           H        ARG  18   1.303  -9.629   1.714
  149    HA   ARG  18           HA       ARG  18   2.104 -12.358   1.140
  150    HB2  ARG  18           1HB      ARG  18   3.354 -10.039   0.977
  151    HB3  ARG  18           2HB      ARG  18   3.744 -10.351   2.668
  152    HG2  ARG  18           1HG      ARG  18   5.196 -12.026   2.155
  153    HG3  ARG  18           2HG      ARG  18   4.170 -12.650   0.863
  154    HD2  ARG  18           1HD      ARG  18   5.667 -11.729  -0.582
  155    HD3  ARG  18           2HD      ARG  18   5.027 -10.150  -0.080
  156    HE   ARG  18           HE       ARG  18   7.583 -11.232   0.714
  157   HH11  ARG  18          1HH1      ARG  18   6.947  -8.318   0.713
  158   HH12  ARG  18          2HH1      ARG  18   6.890  -7.952   2.406
  159   HH21  ARG  18          1HH2      ARG  18   6.603 -11.265   3.385
  160   HH22  ARG  18          2HH2      ARG  18   6.696  -9.619   3.918
  161    H    LEU  19           H        LEU  19   1.763 -10.399   4.085
  162    HA   LEU  19           HA       LEU  19   2.554 -12.459   5.921
  163    HB2  LEU  19           1HB      LEU  19   2.449 -10.106   6.538
  164    HB3  LEU  19           2HB      LEU  19   0.733 -10.039   6.135
  165    HG   LEU  19           HG       LEU  19   1.359 -12.166   8.046
  166   HD11  LEU  19          1HD1      LEU  19   1.383  -9.834   9.657
  167   HD12  LEU  19          2HD1      LEU  19   2.624  -9.605   8.425
  168   HD13  LEU  19          3HD1      LEU  19   2.673 -11.023   9.472
  169   HD21  LEU  19          3HD2      LEU  19  -0.843 -10.773   7.272
  170   HD22  LEU  19          1HD2      LEU  19  -0.408  -9.881   8.729
  171   HD23  LEU  19          2HD2      LEU  19  -0.725 -11.614   8.818
  172    H    VAL  20           H        VAL  20  -0.257 -11.978   3.946
  173    HA   VAL  20           HA       VAL  20  -1.827 -13.888   5.656
  174    HB   VAL  20           HB       VAL  20  -2.508 -11.482   4.643
  175   HG11  VAL  20          1HG1      VAL  20  -4.031 -11.904   2.712
  176   HG12  VAL  20          2HG1      VAL  20  -3.388 -13.544   2.618
  177   HG13  VAL  20          3HG1      VAL  20  -2.331 -12.167   2.320
  178   HG21  VAL  20          3HG2      VAL  20  -4.715 -12.019   5.267
  179   HG22  VAL  20          1HG2      VAL  20  -3.741 -13.162   6.193
  180   HG23  VAL  20          2HG2      VAL  20  -4.558 -13.689   4.721
  181    H    THR  21           H        THR  21  -0.652 -13.399   2.360
  182    HA   THR  21           HA       THR  21  -1.839 -15.726   1.189
  183    HB   THR  21           HB       THR  21   0.700 -14.171   0.597
  184    HG1  THR  21           HG1      THR  21  -0.620 -12.824  -0.296
  185   HG21  THR  21          3HG2      THR  21   0.700 -16.446  -0.422
  186   HG22  THR  21          1HG2      THR  21   0.609 -15.163  -1.629
  187   HG23  THR  21          2HG2      THR  21  -0.840 -16.069  -1.194
  188    H    GLY  22           H        GLY  22   0.571 -15.459   3.580
  189    HA2  GLY  22           1HA      GLY  22   2.209 -17.728   2.837
  190    HA3  GLY  22           2HA      GLY  22   2.150 -16.980   4.434
  Start of MODEL   20
    1    H1   PHE   1           1H       PHE   1   1.823  14.296   5.819
    2    H2   PHE   1           2H       PHE   1   0.718  15.229   4.927
    3    H3   PHE   1           3H       PHE   1   1.472  13.885   4.211
    4    HA   PHE   1           HA       PHE   1   0.341  12.611   6.200
    5    HB2  PHE   1           1HB      PHE   1  -0.562  15.320   6.345
    6    HB3  PHE   1           2HB      PHE   1  -1.943  14.315   5.904
    7    HD1  PHE   1           HD1      PHE   1   1.004  13.228   7.891
    8    HD2  PHE   1           HD2      PHE   1  -3.150  14.323   7.973
    9    HE1  PHE   1           HE1      PHE   1   0.837  12.425  10.231
   10    HE2  PHE   1           HE2      PHE   1  -3.315  13.521  10.314
   11    HZ   PHE   1           HZ       PHE   1  -1.322  12.572  11.443
   12    H    PHE   2           H        PHE   2  -1.469  14.565   3.799
   13    HA   PHE   2           HA       PHE   2  -3.126  12.648   2.716
   14    HB2  PHE   2           1HB      PHE   2  -2.697  15.139   2.140
   15    HB3  PHE   2           2HB      PHE   2  -1.540  14.521   0.957
   16    HD1  PHE   2           HD1      PHE   2  -5.037  14.079   2.137
   17    HD2  PHE   2           HD2      PHE   2  -2.317  13.865  -1.167
   18    HE1  PHE   2           HE1      PHE   2  -6.939  13.593   0.610
   19    HE2  PHE   2           HE2      PHE   2  -4.208  13.380  -2.701
   20    HZ   PHE   2           HZ       PHE   2  -6.520  13.244  -1.812
   21    H    HIS   3           H        HIS   3   0.313  13.103   1.960
   22    HA   HIS   3           HA       HIS   3   0.265  10.677   0.225
   23    HB2  HIS   3           1HB      HIS   3   1.836  13.167   0.491
   24    HB3  HIS   3           2HB      HIS   3   2.796  11.734   0.123
   25    HD1  HIS   3           HD1      HIS   3   0.922  10.187  -1.702
   26    HD2  HIS   3           HD2      HIS   3   1.462  14.310  -2.008
   27    HE1  HIS   3           HE1      HIS   3   0.251  10.824  -4.060
   28    H    HIS   4           H        HIS   4   1.425  11.880   3.303
   29    HA   HIS   4           HA       HIS   4   3.395   9.804   3.766
   30    HB2  HIS   4           1HB      HIS   4   2.272  12.154   5.044
   31    HB3  HIS   4           2HB      HIS   4   2.479  10.843   6.204
   32    HD1  HIS   4           HD1      HIS   4   4.651  11.317   7.363
   33    HD2  HIS   4           HD2      HIS   4   4.940  11.872   3.242
   34    HE1  HIS   4           HE1      HIS   4   7.086  11.816   6.878
   35    H    ILE   5           H        ILE   5   0.021   9.871   3.824
   36    HA   ILE   5           HA       ILE   5  -0.102   7.505   5.638
   37    HB   ILE   5           HB       ILE   5  -2.188   9.422   4.626
   38   HG12  ILE   5          1HG1      ILE   5  -0.582  10.592   5.958
   39   HG13  ILE   5          2HG1      ILE   5  -1.998  10.331   6.984
   40   HG21  ILE   5          1HG2      ILE   5  -3.677   7.984   5.539
   41   HG22  ILE   5          2HG2      ILE   5  -2.899   8.223   7.104
   42   HG23  ILE   5          3HG2      ILE   5  -2.363   6.921   6.044
   43   HD11  ILE   5          3HD1      ILE   5  -0.883   8.283   7.885
   44   HD12  ILE   5          1HD1      ILE   5   0.021   9.759   8.231
   45   HD13  ILE   5          2HD1      ILE   5   0.543   8.687   6.930
   46    H    PHE   6           H        PHE   6  -1.390   8.815   2.599
   47    HA   PHE   6           HA       PHE   6  -2.724   6.520   1.627
   48    HB2  PHE   6           1HB      PHE   6  -1.574   8.987   0.611
   49    HB3  PHE   6           2HB      PHE   6  -1.266   7.674  -0.525
   50    HD1  PHE   6           HD1      PHE   6  -3.187   6.295  -1.385
   51    HD2  PHE   6           HD2      PHE   6  -3.771   9.877   0.914
   52    HE1  PHE   6           HE1      PHE   6  -5.538   6.411  -2.163
   53    HE2  PHE   6           HE2      PHE   6  -6.123   9.991   0.137
   54    HZ   PHE   6           HZ       PHE   6  -7.007   8.259  -1.402
   55    H    ARG   7           H        ARG   7   0.650   7.273   2.003
   56    HA   ARG   7           HA       ARG   7   1.594   4.863   0.601
   57    HB2  ARG   7           1HB      ARG   7   2.631   7.363   1.799
   58    HB3  ARG   7           2HB      ARG   7   3.692   5.970   1.965
   59    HG2  ARG   7           1HG      ARG   7   2.919   5.717  -0.638
   60    HG3  ARG   7           2HG      ARG   7   2.925   7.471  -0.456
   61    HD2  ARG   7           1HD      ARG   7   5.271   6.331   0.816
   62    HD3  ARG   7           2HD      ARG   7   5.177   5.836  -0.886
   63    HE   ARG   7           HE       ARG   7   5.166   8.171  -1.531
   64   HH11  ARG   7          1HH1      ARG   7   4.639   7.886   1.827
   65   HH12  ARG   7          2HH1      ARG   7   5.452   9.360   2.232
   66   HH21  ARG   7          1HH2      ARG   7   6.532   9.966  -1.007
   67   HH22  ARG   7          2HH2      ARG   7   6.523  10.538   0.627
   68    H    GLY   8           H        GLY   8   0.981   6.110   3.870
   69    HA2  GLY   8           1HA      GLY   8   2.277   3.884   5.230
   70    HA3  GLY   8           2HA      GLY   8   1.168   5.048   5.969
   71    H    ILE   9           H        ILE   9  -0.991   4.578   4.060
   72    HA   ILE   9           HA       ILE   9  -2.121   2.148   5.292
   73    HB   ILE   9           HB       ILE   9  -3.148   4.260   3.368
   74   HG12  ILE   9          1HG1      ILE   9  -4.071   3.857   6.196
   75   HG13  ILE   9          2HG1      ILE   9  -2.547   4.695   5.904
   76   HG21  ILE   9          1HG2      ILE   9  -4.594   1.991   4.765
   77   HG22  ILE   9          2HG2      ILE   9  -4.405   2.206   3.025
   78   HG23  ILE   9          3HG2      ILE   9  -5.400   3.331   3.950
   79   HD11  ILE   9          3HD1      ILE   9  -3.701   6.279   4.405
   80   HD12  ILE   9          1HD1      ILE   9  -4.418   6.298   6.016
   81   HD13  ILE   9          2HD1      ILE   9  -5.226   5.446   4.700
   82    H    VAL  10           H        VAL  10  -1.252   3.298   2.027
   83    HA   VAL  10           HA       VAL  10  -2.174   0.996   0.593
   84    HB   VAL  10           HB       VAL  10  -0.046   3.097   0.153
   85   HG11  VAL  10          1HG1      VAL  10  -0.297   2.112  -2.311
   86   HG12  VAL  10          2HG1      VAL  10  -0.637   0.626  -1.425
   87   HG13  VAL  10          3HG1      VAL  10   0.897   1.463  -1.188
   88   HG21  VAL  10          3HG2      VAL  10  -2.593   3.527   0.044
   89   HG22  VAL  10          1HG2      VAL  10  -2.566   2.553  -1.426
   90   HG23  VAL  10          2HG2      VAL  10  -1.632   4.047  -1.340
   91    H    HIS  11           H        HIS  11   0.927   1.718   2.184
   92    HA   HIS  11           HA       HIS  11   2.276  -0.686   1.317
   93    HB2  HIS  11           1HB      HIS  11   2.645   1.388   3.475
   94    HB3  HIS  11           2HB      HIS  11   3.732   0.004   3.355
   95    HD1  HIS  11           HD1      HIS  11   5.786   0.669   2.122
   96    HD2  HIS  11           HD2      HIS  11   2.392   2.482   0.516
   97    HE1  HIS  11           HE1      HIS  11   6.570   2.018   0.127
   98    H    VAL  12           H        VAL  12   0.899   0.220   4.491
   99    HA   VAL  12           HA       VAL  12   1.215  -2.194   5.863
  100    HB   VAL  12           HB       VAL  12  -0.833  -1.413   7.098
  101   HG11  VAL  12          1HG1      VAL  12   0.104   1.063   7.316
  102   HG12  VAL  12          2HG1      VAL  12   1.429   0.395   6.363
  103   HG13  VAL  12          3HG1      VAL  12   1.024  -0.312   7.928
  104   HG21  VAL  12          3HG2      VAL  12  -0.924   0.715   4.969
  105   HG22  VAL  12          1HG2      VAL  12  -2.036   0.519   6.319
  106   HG23  VAL  12          2HG2      VAL  12  -2.014  -0.667   5.015
  107    H    GLY  13           H        GLY  13  -1.188  -1.330   3.411
  108    HA2  GLY  13           1HA      GLY  13  -2.872  -3.628   3.713
  109    HA3  GLY  13           2HA      GLY  13  -2.741  -2.651   2.248
  110    H    LYS  14           H        LYS  14   0.251  -3.145   2.246
  111    HA   LYS  14           HA       LYS  14   0.128  -5.654   0.714
  112    HB2  LYS  14           1HB      LYS  14   1.347  -3.493   0.074
  113    HB3  LYS  14           2HB      LYS  14   2.517  -3.899   1.330
  114    HG2  LYS  14           1HG      LYS  14   2.083  -6.236  -0.256
  115    HG3  LYS  14           2HG      LYS  14   2.396  -4.887  -1.348
  116    HD2  LYS  14           1HD      LYS  14   4.119  -5.369   1.083
  117    HD3  LYS  14           2HD      LYS  14   4.444  -6.182  -0.449
  118    HE2  LYS  14           1HE      LYS  14   4.262  -3.168  -0.072
  119    HE3  LYS  14           2HE      LYS  14   5.759  -4.095  -0.296
  120    HZ1  LYS  14           3HZ      LYS  14   5.247  -3.549  -2.456
  121    HZ2  LYS  14           1HZ      LYS  14   3.571  -3.622  -2.204
  122    HZ3  LYS  14           2HZ      LYS  14   4.474  -5.056  -2.320
  123    H    THR  15           H        THR  15   1.724  -4.422   3.631
  124    HA   THR  15           HA       THR  15   3.366  -6.564   4.323
  125    HB   THR  15           HB       THR  15   1.494  -5.122   6.221
  126    HG1  THR  15           HG1      THR  15   4.004  -4.148   5.433
  127   HG21  THR  15          3HG2      THR  15   4.326  -5.458   6.902
  128   HG22  THR  15          1HG2      THR  15   3.478  -6.989   6.675
  129   HG23  THR  15          2HG2      THR  15   2.889  -5.821   7.859
  130    H    ILE  16           H        ILE  16  -0.140  -6.416   4.278
  131    HA   ILE  16           HA       ILE  16  -0.415  -8.961   5.766
  132    HB   ILE  16           HB       ILE  16  -2.861  -8.515   5.227
  133   HG12  ILE  16          1HG1      ILE  16  -1.857  -5.812   4.326
  134   HG13  ILE  16          2HG1      ILE  16  -2.273  -7.095   3.191
  135   HG21  ILE  16          1HG2      ILE  16  -1.139  -7.354   7.102
  136   HG22  ILE  16          2HG2      ILE  16  -2.899  -7.420   7.195
  137   HG23  ILE  16          3HG2      ILE  16  -2.106  -6.011   6.490
  138   HD11  ILE  16          3HD1      ILE  16  -4.420  -6.443   3.338
  139   HD12  ILE  16          1HD1      ILE  16  -4.029  -5.302   4.625
  140   HD13  ILE  16          2HD1      ILE  16  -4.412  -6.978   5.017
  141    H    HIS  17           H        HIS  17  -0.777  -7.792   2.420
  142    HA   HIS  17           HA       HIS  17  -1.901 -10.038   1.207
  143    HB2  HIS  17           1HB      HIS  17   0.310  -8.145   0.458
  144    HB3  HIS  17           2HB      HIS  17  -0.208  -9.405  -0.656
  145    HD1  HIS  17           HD1      HIS  17  -1.149  -7.512  -2.262
  146    HD2  HIS  17           HD2      HIS  17  -3.031  -7.749   1.450
  147    HE1  HIS  17           HE1      HIS  17  -3.289  -6.172  -2.458
  148    H    ARG  18           H        ARG  18   1.570  -9.538   1.936
  149    HA   ARG  18           HA       ARG  18   2.299 -12.228   1.153
  150    HB2  ARG  18           1HB      ARG  18   3.666  -9.985   1.393
  151    HB3  ARG  18           2HB      ARG  18   3.845 -10.499   3.071
  152    HG2  ARG  18           1HG      ARG  18   4.620 -12.761   2.111
  153    HG3  ARG  18           2HG      ARG  18   4.791 -11.909   0.575
  154    HD2  ARG  18           1HD      ARG  18   6.946 -11.795   1.648
  155    HD3  ARG  18           2HD      ARG  18   6.214 -10.192   1.858
  156    HE   ARG  18           HE       ARG  18   5.419 -11.900   4.023
  157   HH11  ARG  18          1HH1      ARG  18   6.706  -9.027   3.866
  158   HH12  ARG  18          2HH1      ARG  18   8.074  -9.276   4.899
  159   HH21  ARG  18          1HH2      ARG  18   7.794 -12.733   4.880
  160   HH22  ARG  18          2HH2      ARG  18   8.690 -11.374   5.473
  161    H    LEU  19           H        LEU  19   1.712 -10.596   4.253
  162    HA   LEU  19           HA       LEU  19   2.217 -12.872   5.923
  163    HB2  LEU  19           1HB      LEU  19   1.808 -10.281   6.359
  164    HB3  LEU  19           2HB      LEU  19   0.133 -10.798   6.548
  165    HG   LEU  19           HG       LEU  19   1.323 -10.805   8.714
  166   HD11  LEU  19          1HD1      LEU  19  -0.394 -12.652   7.843
  167   HD12  LEU  19          2HD1      LEU  19   0.371 -12.786   9.426
  168   HD13  LEU  19          3HD1      LEU  19   1.005 -13.703   8.059
  169   HD21  LEU  19          3HD2      LEU  19   3.466 -11.713   7.213
  170   HD22  LEU  19          1HD2      LEU  19   2.957 -13.161   8.083
  171   HD23  LEU  19          2HD2      LEU  19   3.391 -11.702   8.975
  172    H    VAL  20           H        VAL  20  -0.338 -12.067   3.713
  173    HA   VAL  20           HA       VAL  20  -2.131 -14.104   5.004
  174    HB   VAL  20           HB       VAL  20  -2.631 -11.565   4.195
  175   HG11  VAL  20          1HG1      VAL  20  -3.387 -13.392   1.910
  176   HG12  VAL  20          2HG1      VAL  20  -2.278 -12.026   1.838
  177   HG13  VAL  20          3HG1      VAL  20  -3.998 -11.751   2.112
  178   HG21  VAL  20          3HG2      VAL  20  -4.982 -12.150   4.369
  179   HG22  VAL  20          1HG2      VAL  20  -4.074 -13.113   5.536
  180   HG23  VAL  20          2HG2      VAL  20  -4.623 -13.842   4.028
  181    H    THR  21           H        THR  21  -0.635 -13.269   1.905
  182    HA   THR  21           HA       THR  21  -1.733 -15.409   0.364
  183    HB   THR  21           HB       THR  21   0.802 -13.764   0.257
  184    HG1  THR  21           HG1      THR  21  -0.378 -12.539  -0.993
  185   HG21  THR  21          3HG2      THR  21  -0.203 -15.757  -1.795
  186   HG22  THR  21          1HG2      THR  21   1.251 -15.940  -0.813
  187   HG23  THR  21          2HG2      THR  21   1.155 -14.653  -2.014
  188    H    GLY  22           H        GLY  22   0.433 -15.510   3.000
  189    HA2  GLY  22           1HA      GLY  22   0.673 -18.248   3.228
  190    HA3  GLY  22           2HA      GLY  22   1.983 -17.822   2.126