*HEADER    ANTIFUNGAL PROTEIN                      05-AUG-02   1IYC              
*TITLE     SOLUTION STRUCTURE OF ANTIFUNGAL PEPTIDE, SCARABAECIN                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SCARABAECIN;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN THE                 
*SOURCE   4 COCONUT RHINOCEROS BEETLE.                                           
*KEYWDS    ANTIFUNGAL PEPTIDE, ANTIMICROBIAL PEPTIDE, NMR, BEETLE,               
*KEYWDS   2 CHITIN-BINDING                                                       
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    H.HEMMI, J.ISHIBASHI, T.TOMIE, M.YAMAKAWA                             
*REVDAT   1   24-JUN-03 1IYC    0                                                

set message=off echo=off end


!E1
assign (resid    2 and  name HN   )(resid    1 and  name HA   ) 2.0 0.2 0.7
assign (resid    1 and  name HB#  )(resid    2 and  name HN   ) 2.0 0.2 4.0
assign (resid    1 and  name HG#  )(resid    2 and  name HN   ) 2.0 0.2 4.0
assign (resid    1 and  name HG#  )(resid    4 and  name HD#  ) 2.0 0.2 5.0

!L2
assign (resid    2 and  name HN   )(resid    2 and  name HA   ) 2.0 0.2 3.0
assign (resid    2 and  name HN   )(resid    2 and  name HB#  ) 2.0 0.2 2.5
assign (resid    2 and  name HN   )(resid    2 and  name HD#  ) 2.0 0.2 5.4
assign (resid    2 and  name HN   )(resid    2 and  name HG   ) 2.0 0.2 3.0
assign (resid    2 and  name HA   )(resid    3 and  name HB#  ) 2.0 0.2 4.0
assign (resid    2 and  name HA   )(resid    3 and  name HD#  ) 2.0 0.2 2.5


!P3
assign (resid    3 and  name HA   )(resid    3 and  name HB#  ) 2.0 0.2 2.5
assign (resid    3 and  name HA   )(resid    3 and  name HD#  ) 2.0 0.2 4.0
assign (resid    3 and  name HB#  )(resid    3 and  name HD#  ) 2.0 0.2 5.0
assign (resid    3 and  name HG#  )(resid    3 and  name HD#  ) 2.0 0.2 3.5 
assign (resid    3 and  name HA   )(resid    4 and  name HN   ) 2.0 0.2 0.7
assign (resid    3 and  name HB#  )(resid    4 and  name HN   ) 2.0 0.2 4.0
assign (resid    3 and  name HG#  )(resid    4 and  name HN   ) 2.0 0.2 4.0


!K4
assign (resid    4 and  name HN   )(resid    4 and  name HA   ) 2.0 0.2 1.5
assign (resid    4 and  name HN   )(resid    4 and  name HB#  ) 2.0 0.2 2.5
assign (resid    4 and  name HN   )(resid    4 and  name HD#  ) 2.0 0.2 2.5
assign (resid    4 and  name HN   )(resid    4 and  name HG#  ) 2.0 0.2 4.0
assign (resid    4 and  name HA   )(resid    5 and  name HN   ) 2.0 0.2 0.7
assign (resid    4 and  name HA   )(resid    5 and  name HD#  ) 2.0 0.2 5.4
assign (resid    4 and  name HA   )(resid    6 and  name HD#  ) 2.0 0.2 4.0
assign (resid    4 and  name HA   )(resid   17 and  name HD2# ) 2.0 0.2 4.0
assign (resid    4 and  name HB#  )(resid    5 and  name HN   ) 2.0 0.2 4.0
assign (resid    4 and  name HD#  )(resid    5 and  name HN   ) 2.0 0.2 4.0
assign (resid    4 and  name HD#  )(resid   12 and  name HD1# ) 2.0 0.2 5.0
assign (resid    4 and  name HN   )(resid    5 and  name HG   ) 2.0 0.2 3.0
assign (resid    4 and  name HN   )(resid   16 and  name HA   ) 2.0 0.2 3.0
assign (resid    4 and  name HN   )(resid   16 and  name HB#  ) 2.0 0.2 4.0
assign (resid    4 and  name HG#  )(resid   18 and  name HN   ) 2.0 0.2 4.0
assign (resid    4 and  name HZ#  )(resid   29 and  name HN   ) 2.0 0.2 4.0
assign (resid    4 and  name HB#  )(resid   29 and  name HB1  ) 2.0 0.2 4.0
assign (resid    4 and  name HB#  )(resid   29 and  name HB2  ) 2.0 0.2 4.0
assign (resid    4 and  name HG#  )(resid   29 and  name HB1  ) 2.0 0.2 4.0 
assign (resid    4 and  name HG#  )(resid   29 and  name HB2  ) 2.0 0.2 4.0

!L5
assign (resid    5 and  name HN   )(resid    5 and  name HA   ) 2.0 0.2 1.5
assign (resid    5 and  name HN   )(resid    5 and  name HB#  ) 2.0 0.2 2.5
assign (resid    5 and  name HN   )(resid    5 and  name HD#  ) 2.0 0.2 5.4
assign (resid    5 and  name HN   )(resid    5 and  name HG   ) 2.0 0.2 1.5
assign (resid    5 and  name HA   )(resid    6 and  name HD#  ) 2.0 0.2 2.5
assign (resid    5 and  name HA   )(resid    6 and  name HG#  ) 2.0 0.2 4.0
assign (resid    5 and  name HD#  )(resid    6 and  name HB#  ) 2.0 0.2 6.4
assign (resid    5 and  name HG   )(resid    6 and  name HD#  ) 2.0 0.2 4.0
assign (resid    5 and  name HB#  )(resid    6 and  name HD#  ) 2.0 0.2 5.0
assign (resid    5 and  name HD#  )(resid    6 and  name HD#  ) 2.0 0.2 6.4
assign (resid    5 and  name HB#  )(resid   18 and  name HB#  ) 2.0 0.2 5.0
assign (resid    5 and  name HN   )(resid   18 and  name HB#  ) 2.0 0.2 4.0
assign (resid    5 and  name HA   )(resid   18 and  name HB#  ) 2.0 0.2 4.0
assign (resid    5 and  name HN   )(resid   17 and  name HA   ) 2.0 0.2 3.0
assign (resid    5 and  name HA   )(resid   22 and  name HZ#  ) 2.0 0.2 4.0


!P6
assign (resid    6 and  name HA   )(resid    7 and  name HN   ) 2.0 0.2 0.7
assign (resid    6 and  name HB#  )(resid    6 and  name HD#  ) 2.0 0.2 5.0
assign (resid    6 and  name HB#  )(resid    7 and  name HN   ) 2.0 0.2 2.5
assign (resid    6 and  name HD#  )(resid    7 and  name HN   ) 2.0 0.2 4.0
assign (resid    6 and  name HG#  )(resid    6 and  name HD#  ) 2.0 0.2 4.5
assign (resid    6 and  name HG#  )(resid    7 and  name HN   ) 2.0 0.2 4.0
assign (resid    6 and  name HG#  )(resid   12 and  name HN   ) 2.0 0.2 4.0
assign (resid    6 and  name HB#  )(resid   11 and  name HA   ) 2.0 0.2 4.0
assign (resid    6 and  name HG#  )(resid   11 and  name HA   ) 2.0 0.2 4.0
assign (resid    6 and  name HD#  )(resid   11 and  name HB#  ) 2.0 0.2 5.0
assign (resid    6 and  name HG#  )(resid   16 and  name HB#  ) 2.0 0.2 5.0
assign (resid    6 and  name HG#  )(resid   18 and  name HA   ) 2.0 0.2 4.0
assign (resid    6 and  name HB#  )(resid   18 and  name HB#  ) 2.0 0.2 5.0

!D7
assign (resid    7 and  name HN   )(resid    7 and  name HA   ) 2.0 0.2 1.5
assign (resid    7 and  name HN   )(resid    7 and  name HB#  ) 2.0 0.2 2.5
assign (resid    7 and  name HA   )(resid    8 and  name HN   ) 2.0 0.2 1.5
assign (resid    7 and  name HA   )(resid    9 and  name HN   ) 2.0 0.2 3.0
assign (resid    7 and  name HN   )(resid   11 and  name HB#  ) 2.0 0.2 4.0
assign (resid    7 and  name HN   )(resid   11 and  name HD#  ) 2.0 0.2 5.4
assign (resid    7 and  name HB#  )(resid    9 and  name HN   ) 2.0 0.2 4.0
assign (resid    7 and  name HB#  )(resid    9 and  name HG#  ) 2.0 0.2 5.0
assign (resid    7 and  name HB#  )(resid   11 and  name HB#  ) 2.0 0.2 5.0
assign (resid    7 and  name HB#  )(resid   19 and  name HD#  ) 2.0 0.2 5.0
assign (resid    7 and  name HB#  )(resid   19 and  name HB#  ) 2.0 0.2 5.0
assign (resid    7 and  name HB#  )(resid   21 and  name HN   ) 2.0 0.2 4.0

!D8
assign (resid    8 and  name HN   )(resid    8 and  name HA   ) 2.0 0.2 1.5
assign (resid    8 and  name HN   )(resid    8 and  name HB#  ) 2.0 0.2 2.5
assign (resid    8 and  name HA   )(resid    9 and  name HN   ) 2.0 0.2 1.5
assign (resid    8 and  name HA   )(resid   10 and  name HN   ) 2.0 0.2 3.0
assign (resid    8 and  name HB#  )(resid    9 and  name HN   ) 2.0 0.2 2.5
assign (resid    8 and  name HN   )(resid    9 and  name HN   ) 2.0 0.2 1.5
assign (resid    8 and  name HN   )(resid   10 and  name HN   ) 2.0 0.2 3.0
assign (resid    8 and  name HN   )(resid   11 and  name HD#  ) 2.0 0.2 5.4
assign (resid    8 and  name HN   )(resid   20 and  name HA   ) 2.0 0.2 3.0


!K9
assign (resid    9 and  name HN   )(resid    9 and  name HA   ) 2.0 0.2 1.5
assign (resid    9 and  name HN   )(resid    9 and  name HB#  ) 2.0 0.2 1.5
assign (resid    9 and  name HN   )(resid    9 and  name HD#  ) 2.0 0.2 2.5
assign (resid    9 and  name HN   )(resid    9 and  name HG#  ) 2.0 0.2 2.5
assign (resid    9 and  name HA   )(resid   10 and  name HA   ) 2.0 0.2 3.0
assign (resid    9 and  name HA   )(resid   10 and  name HN   ) 2.0 0.2 1.5
assign (resid    9 and  name HN   )(resid   10 and  name HN   ) 2.0 0.2 1.5
assign (resid    9 and  name HN   )(resid   10 and  name HB   ) 2.0 0.2 3.0
assign (resid    9 and  name HN   )(resid   10 and  name HG#  ) 2.0 0.2 5.4
assign (resid    9 and  name HA   )(resid   11 and  name HD#  ) 2.0 0.2 5.4
assign (resid    9 and  name HB#  )(resid   10 and  name HN   ) 2.0 0.2 2.5


!V10
assign (resid   10 and  name HN   )(resid   10 and  name HA   ) 2.0 0.2 1.5
assign (resid   10 and  name HN   )(resid   10 and  name HB   ) 2.0 0.2 1.5 
assign (resid   10 and  name HN   )(resid   10 and  name HG1# ) 2.0 0.2 2.5
assign (resid   10 and  name HN   )(resid   10 and  name HG2# ) 2.0 0.2 2.5
assign (resid   10 and  name HA   )(resid   11 and  name HN   ) 2.0 0.2 1.5
assign (resid   10 and  name HB   )(resid   11 and  name HN   ) 2.0 0.2 1.5
assign (resid   10 and  name HN   )(resid   11 and  name HN   ) 2.0 0.2 1.5
assign (resid   10 and  name HN   )(resid   11 and  name HD#  ) 2.0 0.2 5.4
assign (resid   10 and  name HG#  )(resid   12 and  name HG1# ) 2.0 0.2 6.4


!L11
assign (resid   11 and  name HN   )(resid   11 and  name HA   ) 2.0 0.2 1.0
assign (resid   11 and  name HN   )(resid   11 and  name HB#  ) 2.0 0.2 1.5
assign (resid   11 and  name HN   )(resid   11 and  name HD#  ) 2.0 0.2 3.9
assign (resid   11 and  name HN   )(resid   12 and  name HG1# ) 2.0 0.2 4.0
assign (resid   11 and  name HN   )(resid   11 and  name HG   ) 2.0 0.2 1.5
assign (resid   11 and  name HA   )(resid   12 and  name HN   ) 2.0 0.2 0.7
assign (resid   11 and  name HD#  )(resid   13 and  name HN   ) 2.0 0.2 5.4
assign (resid   11 and  name HB#  )(resid   19 and  name HA   ) 2.0 0.2 4.0
assign (resid   11 and  name HG   )(resid   19 and  name HA   ) 2.0 0.2 3.0
assign (resid   11 and  name HD#  )(resid   19 and  name HA   ) 2.0 0.2 5.4
assign (resid   11 and  name HD#  )(resid   19 and  name HB#  ) 2.0 0.2 6.4
assign (resid   11 and  name HD#  )(resid   20 and  name HN   ) 2.0 0.2 5.4


!I12
assign (resid   12 and  name HN   )(resid   12 and  name HA   ) 2.0 0.2 1.5
assign (resid   12 and  name HN   )(resid   12 and  name HB   ) 2.0 0.2 1.5
assign (resid   12 and  name HN   )(resid   12 and  name HD1# ) 2.0 0.2 2.5
assign (resid   12 and  name HN   )(resid   12 and  name HG1# ) 2.0 0.2 2.5
assign (resid   12 and  name HN   )(resid   12 and  name HG2# ) 2.0 0.2 2.5
assign (resid   12 and  name HA   )(resid   13 and  name HN   ) 2.0 0.2 0.7
assign (resid   12 and  name HN   )(resid   13 and  name HN   ) 2.0 0.2 3.0
assign (resid   12 and  name HG1# )(resid   13 and  name HN   ) 2.0 0.2 4.0
assign (resid   12 and  name HG2# )(resid   13 and  name HN   ) 2.0 0.2 4.0
assign (resid   12 and  name HD1# )(resid   13 and  name HN   ) 2.0 0.2 4.0
assign (resid   12 and  name HB   )(resid   14 and  name HB#  ) 2.0 0.2 4.0
assign (resid   12 and  name HD1# )(resid   14 and  name HA   ) 2.0 0.2 4.0
assign (resid   12 and  name HD1# )(resid   15 and  name HN   ) 2.0 0.2 4.0
assign (resid   12 and  name HG2# )(resid   15 and  name HN   ) 2.0 0.2 4.0
assign (resid   12 and  name HD1# )(resid   16 and  name HB#  ) 2.0 0.2 5.0
assign (resid   12 and  name HD1# )(resid   17 and  name HN   ) 2.0 0.2 4.0

!R13
assign (resid   13 and  name HN   )(resid   13 and  name HA   ) 2.0 0.2 1.5
assign (resid   13 and  name HN   )(resid   13 and  name HB#  ) 2.0 0.2 2.5
assign (resid   13 and  name HN   )(resid   13 and  name HD#  ) 2.0 0.2 4.0
assign (resid   13 and  name HN   )(resid   13 and  name HG#  ) 2.0 0.2 2.5
assign (resid   13 and  name HB#  )(resid   13 and  name HE   ) 2.0 0.2 4.0
assign (resid   13 and  name HD#  )(resid   13 and  name HE   ) 2.0 0.2 2.5
assign (resid   13 and  name HG#  )(resid   13 and  name HE   ) 2.0 0.2 4.0
assign (resid   13 and  name HA   )(resid   14 and  name HN   ) 2.0 0.2 1.5
assign (resid   13 and  name HB1  )(resid   14 and  name HN   ) 2.0 0.2 1.5
assign (resid   13 and  name HB2  )(resid   14 and  name HN   ) 2.0 0.2 1.5
assign (resid   13 and  name HD#  )(resid   14 and  name HN   ) 2.0 0.2 4.0
assign (resid   13 and  name HN   )(resid   14 and  name HN   ) 2.0 0.2 1.5
assign (resid   13 and  name HA   )(resid   16 and  name HN   ) 2.0 0.2 3.0
assign (resid   13 and  name HA   )(resid   17 and  name HN   ) 2.0 0.2 3.0
assign (resid   13 and  name HA   )(resid   15 and  name HN   ) 2.0 0.2 3.0
assign (resid   13 and  name HB#  )(resid   14 and  name HB#  ) 2.0 0.2 5.0
assign (resid   13 and  name HB#  )(resid   17 and  name HB#  ) 2.0 0.2 5.0
assign (resid   13 and  name HG#  )(resid   30 and  name HD#  ) 2.0 0.2 3.5


!S14
assign (resid   14 and  name HN   )(resid   14 and  name HA   ) 2.0 0.2 0.7
assign (resid   14 and  name HN   )(resid   14 and  name HB#  ) 2.0 0.2 2.5
assign (resid   14 and  name HN   )(resid   16 and  name HN   ) 2.0 0.2 3.0
assign (resid   14 and  name HA   )(resid   15 and  name HN   ) 2.0 0.2 1.5
assign (resid   14 and  name HA   )(resid   16 and  name HN   ) 2.0 0.2 3.0
assign (resid   14 and  name HB#  )(resid   15 and  name HN   ) 2.0 0.2 3.0
assign (resid   14 and  name HB#  )(resid   15 and  name HB#  ) 2.0 0.2 5.0
assign (resid   14 and  name HB#  )(resid   16 and  name HN   ) 2.0 0.2 4.0
assign (resid   14 and  name HB#  )(resid   17 and  name HN   ) 2.0 0.2 4.0


!R15
assign (resid   15 and  name HN   )(resid   15 and  name HA   ) 2.0 0.2 1.5
assign (resid   15 and  name HN   )(resid   15 and  name HB#  ) 2.0 0.2 2.5
assign (resid   15 and  name HN   )(resid   15 and  name HG#  ) 2.0 0.2 2.5
assign (resid   15 and  name HN   )(resid   15 and  name HD#  ) 2.0 0.2 4.0
assign (resid   15 and  name HB#  )(resid   15 and  name HE   ) 2.0 0.2 4.0
assign (resid   15 and  name HD#  )(resid   15 and  name HE   ) 2.0 0.2 4.0
assign (resid   15 and  name HG#  )(resid   15 and  name HE   ) 2.0 0.2 4.0
assign (resid   15 and  name HA   )(resid   16 and  name HN   ) 2.0 0.2 0.7
assign (resid   15 and  name HB#  )(resid   16 and  name HN   ) 2.0 0.2 4.0
assign (resid   15 and  name HB#  )(resid   16 and  name HA   ) 2.0 0.2 4.0
assign (resid   15 and  name HN   )(resid   16 and  name HN   ) 2.0 0.2 1.5
assign (resid   15 and  name HN   )(resid   16 and  name HB#  ) 2.0 0.2 4.0
assign (resid   15 and  name HE   )(resid   16 and  name HB#  ) 2.0 0.2 4.0
assign (resid   15 and  name HG#  )(resid   16 and  name HN   ) 2.0 0.2 2.5

!S16
assign (resid   16 and  name HN   )(resid   16 and  name HA   ) 2.0 0.2 1.5
assign (resid   16 and  name HN   )(resid   16 and  name HB#  ) 2.0 0.2 2.5
assign (resid   16 and  name HA   )(resid   17 and  name HN   ) 2.0 0.2 0.7
assign (resid   16 and  name HA   )(resid   17 and  name HA   ) 2.0 0.2 3.0
assign (resid   16 and  name HA   )(resid   17 and  name HB2  ) 2.0 0.2 3.0
assign (resid   16 and  name HN   )(resid   17 and  name HN   ) 2.0 0.2 1.5
assign (resid   16 and  name HN   )(resid   17 and  name HB1  ) 2.0 0.2 3.0
assign (resid   16 and  name HN   )(resid   17 and  name HB2  ) 2.0 0.2 3.0

!N17
assign (resid   17 and  name HN   )(resid   17 and  name HA   ) 2.0 0.2 1.5
assign (resid   17 and  name HN   )(resid   17 and  name HB1  ) 2.0 0.2 1.5
assign (resid   17 and  name HN   )(resid   17 and  name HB2  ) 2.0 0.2 1.5
assign (resid   17 and  name HA   )(resid   18 and  name HN   ) 2.0 0.2 0.7
assign (resid   17 and  name HB1  )(resid   18 and  name HN   ) 2.0 0.2 1.5
assign (resid   17 and  name HB2  )(resid   18 and  name HN   ) 2.0 0.2 3.0
assign (resid   17 and  name HN   )(resid   18 and  name HN   ) 2.0 0.2 3.0
assign (resid   17 and  name HN   )(resid   29 and  name HN   ) 2.0 0.2 3.0

!C18
assign (resid   18 and  name HN   )(resid   18 and  name HA   ) 2.0 0.2 1.5
assign (resid   18 and  name HN   )(resid   18 and  name HB#  ) 2.0 0.2 2.5
assign (resid   18 and  name HN   )(resid   19 and  name HD#  ) 2.0 0.2 4.0
assign (resid   18 and  name HA   )(resid   19 and  name HD#  ) 2.0 0.2 2.5
assign (resid   18 and  name HA   )(resid   19 and  name HB#  ) 2.0 0.2 4.0
assign (resid   18 and  name HA   )(resid   19 and  name HG#  ) 2.0 0.2 4.0
assign (resid   18 and  name HA   )(resid   22 and  name HB#  ) 2.0 0.2 4.0
assign (resid   18 and  name HA   )(resid   22 and  name HD#  ) 2.0 0.2 4.0
assign (resid   18 and  name HA   )(resid   22 and  name HG#  ) 2.0 0.2 4.0
assign (resid   18 and  name HA   )(resid   29 and  name HN   ) 2.0 0.2 3.0
assign (resid   18 and  name HA   )(resid   30 and  name HN   ) 2.0 0.2 3.0
assign (resid   18 and  name HA   )(resid   30 and  name HG#  ) 2.0 0.2 4.0
assign (resid   18 and  name HB#  )(resid   19 and  name HG#  ) 2.0 0.2 5.0
assign (resid   18 and  name HB1  )(resid   19 and  name HD#  ) 2.0 0.2 4.0
assign (resid   18 and  name HB2  )(resid   19 and  name HD#  ) 2.0 0.2 4.0
assign (resid   18 and  name HB1  )(resid   22 and  name HN   ) 2.0 0.2 3.0
assign (resid   18 and  name HB2  )(resid   22 and  name HN   ) 2.0 0.2 3.0
assign (resid   18 and  name HB#  )(resid   22 and  name HD#  ) 2.0 0.2 5.0
assign (resid   18 and  name HB#  )(resid   22 and  name HB#  ) 2.0 0.2 3.5
assign (resid   18 and  name HB1  )(resid   23 and  name HN   ) 2.0 0.2 3.0
assign (resid   18 and  name HB2  )(resid   23 and  name HN   ) 2.0 0.2 3.0
assign (resid   18 and  name HB1  )(resid   24 and  name HN   ) 2.0 0.2 3.0
assign (resid   18 and  name HB#  )(resid   24 and  name HB#  ) 2.0 0.3 5.0
assign (resid   18 and  name HB#  )(resid   29 and  name HN   ) 2.0 0.2 4.0
assign (resid   18 and  name HB#  )(resid   30 and  name HN   ) 2.0 0.2 4.0
assign (resid   18 and  name HB#  )(resid   30 and  name HG#  ) 2.0 0.2 5.0
assign (resid   18 and  name HN   )(resid   22 and  name HD#  ) 2.0 0.2 4.0


!P19
assign (resid   19 and  name HA   )(resid   19 and  name HB#  ) 2.0 0.2 2.5
assign (resid   19 and  name HB#  )(resid   19 and  name HD#  ) 2.0 0.2 5.0
assign (resid   19 and  name HG#  )(resid   19 and  name HD#  ) 2.0 0.2 3.5
assign (resid   19 and  name HA   )(resid   20 and  name HN   ) 2.0 0.2 1.5
assign (resid   19 and  name HB#  )(resid   20 and  name HN   ) 2.0 0.2 2.5
assign (resid   19 and  name HG#  )(resid   20 and  name HN   ) 2.0 0.2 4.0
assign (resid   19 and  name HD#  )(resid   20 and  name HG#  ) 2.0 0.2 5.0
assign (resid   19 and  name HD#  )(resid   22 and  name HD#  ) 2.0 0.2 5.0
assign (resid   19 and  name HB#  )(resid   30 and  name HG#  ) 2.0 0.2 5.0
assign (resid   19 and  name HG#  )(resid   30 and  name HG#  ) 2.0 0.2 5.0
assign (resid   19 and  name HD#  )(resid   29 and  name HB1  ) 2.0 0.2 5.0
assign (resid   19 and  name HD#  )(resid   30 and  name HG#  ) 2.0 0.2 5.0
assign (resid   19 and  name HA   )(resid   30 and  name HD#  ) 2.0 0.2 4.0

!K20
assign (resid   20 and  name HN   )(resid   20 and  name HA   ) 2.0 0.2 1.0
assign (resid   20 and  name HN   )(resid   20 and  name HB#  ) 2.0 0.2 2.5
assign (resid   20 and  name HN   )(resid   20 and  name HD#  ) 2.0 0.2 2.5
assign (resid   20 and  name HN   )(resid   20 and  name HG#  ) 2.0 0.2 2.5
assign (resid   20 and  name HA   )(resid   21 and  name HN   ) 2.0 0.2 0.7
assign (resid   20 and  name HA   )(resid   21 and  name HA#  ) 2.0 0.2 4.0
assign (resid   20 and  name HB#  )(resid   21 and  name HN   ) 2.0 0.2 2.5
assign (resid   20 and  name HG#  )(resid   21 and  name HN   ) 2.0 0.2 2.5
assign (resid   20 and  name HN   )(resid   21 and  name HN   ) 2.0 0.2 3.0

!G21
assign (resid   21 and  name HN   )(resid   21 and  name HA#  ) 2.0 0.2 2.5
assign (resid   21 and  name HA#  )(resid   22 and  name HN   ) 2.0 0.2 2.5
assign (resid   21 and  name HA#  )(resid   22 and  name HG#  ) 2.0 0.2 5.0
assign (resid   21 and  name HN   )(resid   22 and  name HD#  ) 2.0 0.2 2.5
assign (resid   21 and  name HN   )(resid   22 and  name HN   ) 2.0 0.2 1.5

!K22
assign (resid   22 and  name HN   )(resid   22 and  name HA   ) 2.0 0.2 1.5
assign (resid   22 and  name HN   )(resid   22 and  name HB#  ) 2.0 0.2 2.5
assign (resid   22 and  name HN   )(resid   22 and  name HD#  ) 2.0 0.2 2.5
assign (resid   22 and  name HN   )(resid   22 and  name HG#  ) 2.0 0.2 2.5
assign (resid   22 and  name HA   )(resid   23 and  name HN   ) 2.0 0.2 0.7
assign (resid   22 and  name HA   )(resid   23 and  name HG1# ) 2.0 0.2 4.0
assign (resid   22 and  name HA   )(resid   23 and  name HG2# ) 2.0 0.2 4.0
assign (resid   22 and  name HA   )(resid   31 and  name HB#  ) 2.0 0.2 4.0
assign (resid   22 and  name HA   )(resid   32 and  name HD#  ) 2.0 0.2 4.0
assign (resid   22 and  name HB#  )(resid   23 and  name HN   ) 2.0 0.2 2.5
assign (resid   22 and  name HB#  )(resid   30 and  name HA   ) 2.0 0.2 4.0
assign (resid   22 and  name HG#  )(resid   30 and  name HA   ) 2.0 0.2 4.0
assign (resid   22 and  name HE#  )(resid   30 and  name HA   ) 2.0 0.2 4.0
assign (resid   22 and  name HB#  )(resid   31 and  name HN   ) 2.0 0.2 2.5
assign (resid   22 and  name HB#  )(resid   31 and  name HA   ) 2.0 0.2 2.5
assign (resid   22 and  name HD#  )(resid   23 and  name HN   ) 2.0 0.2 2.5
assign (resid   22 and  name HD#  )(resid   30 and  name HN   ) 2.0 0.2 4.0
assign (resid   22 and  name HG#  )(resid   23 and  name HN   ) 2.0 0.2 4.0
assign (resid   22 and  name HG#  )(resid   30 and  name HN   ) 2.0 0.2 4.0
assign (resid   22 and  name HG#  )(resid   31 and  name HN   ) 2.0 0.2 4.0
assign (resid   22 and  name HD#  )(resid   31 and  name HN   ) 2.0 0.2 4.0
assign (resid   22 and  name HN   )(resid   23 and  name HN   ) 2.0 0.2 3.0
assign (resid   22 and  name HG#  )(resid   29 and  name HB#  ) 2.0 0.2 5.0
assign (resid   22 and  name HG#  )(resid   31 and  name HA   ) 2.0 0.2 4.0
assign (resid   22 and  name HG#  )(resid   31 and  name HB#  ) 2.0 0.2 5.0
assign (resid   22 and  name HD#  )(resid   29 and  name HB#  ) 2.0 0.2 5.0
assign (resid   22 and  name HE#  )(resid   31 and  name HA   ) 2.0 0.2 4.0
assign (resid   22 and  name HZ#  )(resid   31 and  name HN   ) 2.0 0.2 4.5
assign (resid   22 and  name HN   )(resid   23 and  name HG1# ) 2.0 0.2 4.0

!V23
assign (resid   23 and  name HN   )(resid   23 and  name HA   ) 2.0 0.2 1.0
assign (resid   23 and  name HN   )(resid   23 and  name HB   ) 2.0 0.2 1.5
assign (resid   23 and  name HN   )(resid   23 and  name HG#  ) 2.0 0.2 3.9
assign (resid   23 and  name HA   )(resid   24 and  name HB#  ) 2.0 0.2 4.0
assign (resid   23 and  name HA   )(resid   24 and  name HB1  ) 2.0 0.2 3.0
assign (resid   23 and  name HA   )(resid   24 and  name HB2  ) 2.0 0.2 3.0
assign (resid   23 and  name HA   )(resid   24 and  name HN   ) 2.0 0.2 0.7
assign (resid   23 and  name HA   )(resid   30 and  name HN   ) 2.0 0.2 3.0
assign (resid   23 and  name HN   )(resid   30 and  name HA   ) 2.0 0.2 3.0
assign (resid   23 and  name HB   )(resid   24 and  name HN   ) 2.0 0.2 3.0
assign (resid   23 and  name HB   )(resid   30 and  name HN   ) 2.0 0.2 3.0
assign (resid   23 and  name HN   )(resid   30 and  name HN   ) 2.0 0.2 1.5
assign (resid   23 and  name HN   )(resid   29 and  name HA   ) 2.0 0.2 3.0
assign (resid   23 and  name HG1# )(resid   30 and  name HN   ) 2.0 0.2 4.5
assign (resid   23 and  name HG2# )(resid   30 and  name HN   ) 2.0 0.2 4.0
assign (resid   23 and  name HG#  )(resid   30 and  name HA   ) 2.0 0.2 5.9
assign (resid   23 and  name HN   )(resid   30 and  name HA   ) 2.0 0.2 3.0
assign (resid   23 and  name HN   )(resid   31 and  name HN   ) 2.0 0.2 3.0
assign (resid   23 and  name HN   )(resid   31 and  name HA   ) 2.0 0.2 1.5
assign (resid   23 and  name HN   )(resid   24 and  name HA   ) 2.0 0.2 3.0
assign (resid   23 and  name HG1# )(resid   32 and  name HB#  ) 2.0 0.2 5.0
assign (resid   23 and  name HG2# )(resid   32 and  name HB#  ) 2.0 0.2 5.0
assign (resid   23 and  name HG#  )(resid   31 and  name HB#  ) 2.0 0.2 6.4
assign (resid   23 and  name HG#  )(resid   32 and  name HA   ) 2.0 0.2 5.4
assign (resid   23 and  name HG1# )(resid   32 and  name HD#  ) 2.0 0.2 5.0
assign (resid   23 and  name HG2# )(resid   32 and  name HD#  ) 2.0 0.2 5.0
assign (resid   23 and  name HG#  )(resid   35 and  name HD#  ) 2.0 0.2 7.8
assign (resid   23 and  name HG#  )(resid   35 and  name HE#  ) 2.0 0.2 7.8
assign (resid   23 and  name HN   )(resid   24 and  name HN   ) 2.0 0.2 3.0
assign (resid   23 and  name HN   )(resid   30 and  name HB#  ) 2.0 0.2 4.0
assign (resid   23 and  name HN   )(resid   30 and  name HG#  ) 2.0 0.2 4.0
assign (resid   23 and  name HG#  )(resid   30 and  name HB#  ) 2.0 0.2 6.4
assign (resid   23 and  name HG#  )(resid   33 and  name HD#  ) 2.0 0.2 7.8 

!W24
assign (resid   24 and  name HA   )(resid   24 and  name HD1  ) 2.0 0.2 3.0
assign (resid   24 and  name HA   )(resid   24 and  name HE3  ) 2.0 0.2 1.5
assign (resid   24 and  name HA   )(resid   24 and  name HN   ) 2.0 0.2 1.5
assign (resid   24 and  name HB#  )(resid   24 and  name HE1  ) 2.0 0.2 3.0
assign (resid   24 and  name HB#  )(resid   24 and  name HE3  ) 2.0 0.2 2.5
assign (resid   24 and  name HB#  )(resid   24 and  name HZ3  ) 2.0 0.2 4.0
assign (resid   24 and  name HB#  )(resid   24 and  name HN   ) 2.0 0.2 2.5
assign (resid   24 and  name HE3  )(resid   24 and  name HN   ) 2.0 0.2 3.0
assign (resid   24 and  name HN   )(resid   25 and  name HN   ) 2.0 0.2 3.0
assign (resid   24 and  name HA   )(resid   25 and  name HN   ) 2.0 0.2 0.7
assign (resid   24 and  name HA   )(resid   25 and  name HB#  ) 2.0 0.2 4.0
assign (resid   24 and  name HA   )(resid   28 and  name HB#  ) 2.0 0.2 4.0
assign (resid   24 and  name HA   )(resid   29 and  name HB1  ) 2.0 0.2 3.0
assign (resid   24 and  name HA   )(resid   29 and  name HB2  ) 2.0 0.2 3.0
assign (resid   24 and  name HA   )(resid   28 and  name HN   ) 2.0 0.2 3.0
assign (resid   24 and  name HA   )(resid   29 and  name HA   ) 2.0 0.2 0.7
assign (resid   24 and  name HA   )(resid   29 and  name HN   ) 2.0 0.2 3.0
assign (resid   24 and  name HA   )(resid   30 and  name HN   ) 2.0 0.2 1.5
assign (resid   24 and  name HA   )(resid   30 and  name HE#  ) 2.0 0.2 4.0
assign (resid   24 and  name HB2  )(resid   29 and  name HN   ) 2.0 0.2 3.0
assign (resid   24 and  name HB1  )(resid   29 and  name HA   ) 2.0 0.2 3.0
assign (resid   24 and  name HB2  )(resid   29 and  name HA   ) 2.0 0.2 1.5
assign (resid   24 and  name HB1  )(resid   30 and  name HN   ) 2.0 0.2 3.0
assign (resid   24 and  name HB2  )(resid   30 and  name HN   ) 2.0 0.2 3.0
assign (resid   24 and  name HB1  )(resid   25 and  name HN   ) 2.0 0.2 1.5
assign (resid   24 and  name HB2  )(resid   25 and  name HN   ) 2.0 0.2 1.5
assign (resid   24 and  name HB1  )(resid   29 and  name HB#  ) 2.0 0.2 4.0
assign (resid   24 and  name HB2  )(resid   29 and  name HB#  ) 2.0 0.2 3.0
assign (resid   24 and  name HD1  )(resid   25 and  name HN   ) 2.0 0.2 3.0
assign (resid   24 and  name HD1  )(resid   25 and  name HA   ) 2.0 0.2 3.0
assign (resid   24 and  name HD1  )(resid   25 and  name HB#  ) 2.0 0.2 4.0
assign (resid   24 and  name HD1  )(resid   26 and  name HA#  ) 2.0 0.2 4.0
assign (resid   24 and  name HD1  )(resid   28 and  name HN   ) 2.0 0.2 3.0
assign (resid   24 and  name HE1  )(resid   26 and  name HA#  ) 2.0 0.2 2.5
assign (resid   24 and  name HE1  )(resid   26 and  name HN   ) 2.0 0.2 3.0
assign (resid   24 and  name HE1  )(resid   27 and  name HA   ) 2.0 0.2 3.0
assign (resid   24 and  name HE1  )(resid   27 and  name HN   ) 2.0 0.2 3.0
assign (resid   24 and  name HE3  )(resid   25 and  name HN   ) 2.0 0.2 1.5
assign (resid   24 and  name HE3  )(resid   28 and  name HN   ) 2.0 0.2 3.0
assign (resid   24 and  name HE3  )(resid   29 and  name HN   ) 2.0 0.2 1.5
assign (resid   24 and  name HE3  )(resid   30 and  name HN   ) 2.0 0.2 3.0
assign (resid   24 and  name HE3  )(resid   28 and  name HA   ) 2.0 0.2 2.0
assign (resid   24 and  name HE3  )(resid   28 and  name HB#  ) 2.0 0.2 2.5
assign (resid   24 and  name HH2  )(resid   28 and  name HN   ) 2.0 0.2 3.0
assign (resid   24 and  name HH2  )(resid   28 and  name HA   ) 2.0 0.2 3.0
assign (resid   24 and  name HZ2  )(resid   27 and  name HA   ) 2.0 0.2 1.5
assign (resid   24 and  name HZ2  )(resid   27 and  name HD#  ) 2.0 0.2 5.4
assign (resid   24 and  name HZ2  )(resid   28 and  name HN   ) 2.0 0.2 3.0
assign (resid   24 and  name HZ2  )(resid   26 and  name HA#  ) 2.0 0.2 4.0
assign (resid   24 and  name HZ3  )(resid   25 and  name HN   ) 2.0 0.2 3.0
assign (resid   24 and  name HZ3  )(resid   27 and  name HA   ) 2.0 0.2 3.0
assign (resid   24 and  name HZ3  )(resid   27 and  name HN   ) 2.0 0.2 3.0
assign (resid   24 and  name HZ3  )(resid   29 and  name HN   ) 2.0 0.2 1.5
assign (resid   24 and  name HZ3  )(resid   28 and  name HA   ) 2.0 0.2 1.5
assign (resid   24 and  name HZ3  )(resid   28 and  name HN   ) 2.0 0.2 3.0
assign (resid   24 and  name HZ3  )(resid   28 and  name HB1  ) 2.0 0.2 3.0
assign (resid   24 and  name HZ3  )(resid   28 and  name HB2  ) 2.0 0.2 3.0
assign (resid   24 and  name HE3  )(resid   29 and  name HA   ) 2.0 0.2 1.5
assign (resid   24 and  name HH2  )(resid   27 and  name HD#  ) 2.0 0.2 5.4
assign (resid   24 and  name HZ3  )(resid   29 and  name HA   ) 2.0 0.2 3.0
assign (resid   24 and  name HE3  )(resid   29 and  name HB1  ) 2.0 0.2 3.0
assign (resid   24 and  name HE3  )(resid   29 and  name HB2  ) 2.0 0.2 1.5
assign (resid   24 and  name HE3  )(resid   25 and  name HB#  ) 2.0 0.2 4.0
assign (resid   24 and  name HZ3  )(resid   25 and  name HN   ) 2.0 0.2 3.0
assign (resid   24 and  name HN   )(resid   29 and  name HA   ) 2.0 0.2 3.0

!N25
assign (resid   25 and  name HN   )(resid   25 and  name HA   ) 2.0 0.2 1.5
assign (resid   25 and  name HN   )(resid   25 and  name HB#  ) 2.0 0.2 1.5
assign (resid   25 and  name HA   )(resid   26 and  name HN   ) 2.0 0.2 3.0
assign (resid   25 and  name HA   )(resid   35 and  name HD#  ) 2.0 0.2 5.4
assign (resid   25 and  name HA   )(resid   35 and  name HB#  ) 2.0 0.2 4.0
assign (resid   25 and  name HB#  )(resid   25 and  name HD2# ) 2.0 0.2 3.5
assign (resid   25 and  name HN   )(resid   25 and  name HD2# ) 2.0 0.2 4.0
assign (resid   25 and  name HB#  )(resid   28 and  name HN   ) 2.0 0.2 4.0
assign (resid   25 and  name HB#  )(resid   28 and  name HB#  ) 2.0 0.2 5.0
assign (resid   25 and  name HB#  )(resid   35 and  name HB#  ) 2.0 0.2 5.0
assign (resid   25 and  name HB#  )(resid   35 and  name HD#  ) 2.0 0.2 6.4
assign (resid   25 and  name HB#  )(resid   35 and  name HE#  ) 2.0 0.2 6.4
assign (resid   25 and  name HD2# )(resid   27 and  name HN   ) 2.0 0.2 4.0
assign (resid   25 and  name HD2# )(resid   28 and  name HN   ) 2.0 0.2 4.0
assign (resid   25 and  name HD2# )(resid   27 and  name HB#  ) 2.0 0.2 5.0
assign (resid   25 and  name HD2# )(resid   35 and  name HB#  ) 2.0 0.2 5.0
assign (resid   25 and  name HN   )(resid   27 and  name HN   ) 2.0 0.2 3.0
assign (resid   25 and  name HN   )(resid   28 and  name HN   ) 2.0 0.2 1.5
assign (resid   25 and  name HN   )(resid   28 and  name HB1  ) 2.0 0.2 3.0
assign (resid   25 and  name HN   )(resid   28 and  name HB2  ) 2.0 0.2 2.0
assign (resid   25 and  name HD2# )(resid   28 and  name HB#  ) 2.0 0.2 5.0
assign (resid   25 and  name HN   )(resid   29 and  name HA   ) 2.0 0.2 1.5
assign (resid   25 and  name HN   )(resid   29 and  name HN   ) 2.0 0.2 3.0
assign (resid   25 and  name HN   )(resid   30 and  name HN   ) 2.0 0.2 3.0

!G26
assign (resid   26 and  name HA#  )(resid   26 and  name HN   ) 2.0 0.2 2.5
assign (resid   26 and  name HA#  )(resid   27 and  name HN   ) 2.0 0.2 2.5
assign (resid   26 and  name HA#  )(resid   28 and  name HN   ) 2.0 0.2 4.0
assign (resid   26 and  name HN   )(resid   27 and  name HN   ) 2.0 0.2 1.5
assign (resid   26 and  name HN   )(resid   28 and  name HN   ) 2.0 0.2 3.0
assign (resid   26 and  name HA#  )(resid   27 and  name HD#  ) 2.0 0.2 5.4
assign (resid   26 and  name HA#  )(resid   27 and  name HE#  ) 2.0 0.2 5.4

!F27
assign (resid   27 and  name HA   )(resid   27 and  name HN   ) 2.0 0.2 1.5
assign (resid   27 and  name HB#  )(resid   27 and  name HN   ) 2.0 0.2 1.5
assign (resid   27 and  name HD#  )(resid   27 and  name HN   ) 2.0 0.2 5.4
assign (resid   27 and  name HA   )(resid   27 and  name HD#  ) 2.0 0.2 3.5
assign (resid   27 and  name HA   )(resid   27 and  name HE#  ) 2.0 0.2 5.0
assign (resid   27 and  name HB#  )(resid   27 and  name HD#  ) 2.0 0.2 3.5
assign (resid   27 and  name HB#  )(resid   27 and  name HE#  ) 2.0 0.2 5.0
assign (resid   27 and  name HA   )(resid   28 and  name HN   ) 2.0 0.2 0.7
assign (resid   27 and  name HB#  )(resid   28 and  name HN   ) 2.0 0.2 2.5
assign (resid   27 and  name HN   )(resid   28 and  name HN   ) 2.0 0.2 0.7

!D28
assign (resid   28 and  name HN   )(resid   28 and  name HA   ) 2.0 0.2 1.5
assign (resid   28 and  name HN   )(resid   28 and  name HB1  ) 2.0 0.2 2.0
assign (resid   28 and  name HN   )(resid   28 and  name HB2  ) 2.0 0.2 1.0
assign (resid   28 and  name HA   )(resid   29 and  name HB#  ) 2.0 0.2 4.0
assign (resid   28 and  name HA   )(resid   29 and  name HN   ) 2.0 0.2 0.7
assign (resid   28 and  name HB1  )(resid   29 and  name HN   ) 2.0 0.2 1.5
assign (resid   28 and  name HB2  )(resid   29 and  name HN   ) 2.0 0.2 3.0
assign (resid   28 and  name HN   )(resid   29 and  name HA   ) 2.0 0.2 3.0
assign (resid   28 and  name HN   )(resid   29 and  name HN   ) 2.0 0.2 3.0
assign (resid   28 and  name HB#  )(resid   30 and  name HE#  ) 2.0 0.2 5.0
assign (resid   28 and  name HB#  )(resid   35 and  name HE#  ) 2.0 0.2 6.4


!C29
assign (resid   29 and  name HN   )(resid   29 and  name HA   ) 2.0 0.2 1.5
assign (resid   29 and  name HN   )(resid   29 and  name HB#  ) 2.0 0.2 2.5
assign (resid   29 and  name HB1  )(resid   30 and  name HN   ) 2.0 0.2 2.0
assign (resid   29 and  name HB2  )(resid   30 and  name HN   ) 2.0 0.2 3.0
assign (resid   29 and  name HN   )(resid   30 and  name HN   ) 2.0 0.2 3.0
assign (resid   29 and  name HN   )(resid   30 and  name HG#  ) 2.0 0.2 4.0
assign (resid   29 and  name HA   )(resid   30 and  name HD#  ) 2.0 0.2 4.0
assign (resid   29 and  name HA   )(resid   30 and  name HN   ) 2.0 0.2 0.7
assign (resid   29 and  name HB#  )(resid   30 and  name HG#  ) 2.0 0.2 5.0

!K30
assign (resid   30 and  name HN   )(resid   30 and  name HA   ) 2.0 0.2 1.0
assign (resid   30 and  name HN   )(resid   30 and  name HB#  ) 2.0 0.2 2.5
assign (resid   30 and  name HN   )(resid   30 and  name HD#  ) 2.0 0.2 4.0
assign (resid   30 and  name HN   )(resid   30 and  name HG#  ) 2.0 0.2 2.5
assign (resid   30 and  name HN   )(resid   31 and  name HA   ) 2.0 0.2 3.0
assign (resid   30 and  name HN   )(resid   31 and  name HN   ) 2.0 0.2 3.0
assign (resid   30 and  name HA   )(resid   31 and  name HN   ) 2.0 0.2 0.7
assign (resid   30 and  name HB#  )(resid   31 and  name HN   ) 2.0 0.2 2.5
assign (resid   30 and  name HD#  )(resid   31 and  name HN   ) 2.0 0.2 4.0
assign (resid   30 and  name HG#  )(resid   31 and  name HN   ) 2.0 0.2 2.5
assign (resid   30 and  name HB#  )(resid   35 and  name HZ   ) 2.0 0.2 4.0
assign (resid   30 and  name HD#  )(resid   35 and  name HZ   ) 2.0 0.2 4.0
assign (resid   30 and  name HE#  )(resid   35 and  name HE#  ) 2.0 0.2 6.4
assign (resid   30 and  name HE#  )(resid   35 and  name HZ   ) 2.0 0.2 4.0
assign (resid   30 and  name HB#  )(resid   35 and  name HE#  ) 2.0 0.2 6.4

!S31
assign (resid   31 and  name HN   )(resid   31 and  name HA   ) 2.0 0.2 1.5
assign (resid   31 and  name HN   )(resid   31 and  name HB#  ) 2.0 0.2 1.5
assign (resid   31 and  name HA   )(resid   32 and  name HD#  ) 2.0 0.2 2.5
assign (resid   31 and  name HA   )(resid   32 and  name HG#  ) 2.0 0.2 4.0
assign (resid   31 and  name HA   )(resid   32 and  name HB#  ) 2.0 0.2 4.0
assign (resid   31 and  name HA   )(resid   34 and  name HN   ) 2.0 0.2 3.0
assign (resid   31 and  name HB#  )(resid   34 and  name HB#  ) 2.0 0.2 5.5
assign (resid   31 and  name HB#  )(resid   33 and  name HD#  ) 2.0 0.2 6.4
assign (resid   31 and  name HB#  )(resid   33 and  name HE#  ) 2.0 0.2 6.4
assign (resid   31 and  name HB#  )(resid   35 and  name HE#  ) 2.0 0.2 6.4

!P32
assign (resid   32 and  name HA   )(resid   32 and  name HB#  ) 2.0 0.2 2.5
assign (resid   32 and  name HB#  )(resid   32 and  name HD#  ) 2.0 0.2 5.0
assign (resid   32 and  name HA   )(resid   33 and  name HN   ) 2.0 0.2 1.5
assign (resid   32 and  name HA   )(resid   33 and  name HB#  ) 2.0 0.2 4.0
assign (resid   32 and  name HA   )(resid   34 and  name HB#  ) 2.0 0.2 4.0
assign (resid   32 and  name HB#  )(resid   33 and  name HN   ) 2.0 0.2 2.5
assign (resid   32 and  name HB#  )(resid   33 and  name HE#  ) 2.0 0.2 6.4
assign (resid   32 and  name HD#  )(resid   33 and  name HD#  ) 2.0 0.2 6.4
assign (resid   32 and  name HD#  )(resid   33 and  name HN   ) 2.0 0.2 2.5
assign (resid   32 and  name HG#  )(resid   33 and  name HD#  ) 2.0 0.2 6.4
assign (resid   32 and  name HG#  )(resid   33 and  name HE#  ) 2.0 0.2 6.4
assign (resid   32 and  name HG#  )(resid   33 and  name HN   ) 2.0 0.2 2.5

!F33
assign (resid   33 and  name HN   )(resid   33 and  name HA   ) 2.0 0.2 1.0
assign (resid   33 and  name HA   )(resid   33 and  name HD#  ) 2.0 0.2 3.5
assign (resid   33 and  name HN   )(resid   33 and  name HB#  ) 2.0 0.2 2.5
assign (resid   33 and  name HN   )(resid   33 and  name HD#  ) 2.0 0.2 3.9
assign (resid   33 and  name HA   )(resid   34 and  name HN   ) 2.0 0.2 1.5
assign (resid   33 and  name HA   )(resid   34 and  name HB#  ) 2.0 0.2 4.0
assign (resid   33 and  name HB#  )(resid   34 and  name HA   ) 2.0 0.2 4.0
assign (resid   33 and  name HB#  )(resid   34 and  name HB#  ) 2.0 0.2 4.5
assign (resid   33 and  name HE#  )(resid   34 and  name HB#  ) 2.0 0.2 6.4
assign (resid   33 and  name HN   )(resid   35 and  name HD#  ) 2.0 0.2 5.4

!A34
assign (resid   34 and  name HN   )(resid   34 and  name HA   ) 2.0 0.2 1.0
assign (resid   34 and  name HN   )(resid   34 and  name HB#  ) 2.0 0.2 2.5
assign (resid   34 and  name HA   )(resid   35 and  name HN   ) 2.0 0.2 0.7
assign (resid   34 and  name HB#  )(resid   35 and  name HN   ) 2.0 0.2 2.5
assign (resid   34 and  name HB#  )(resid   35 and  name HD#  ) 2.0 0.2 6.4
assign (resid   34 and  name HB#  )(resid   36 and  name HN   ) 2.0 0.2 4.0

!F35
assign (resid   35 and  name HA   )(resid   35 and  name HN   ) 2.0 0.2 1.5
assign (resid   35 and  name HB#  )(resid   35 and  name HN   ) 2.0 0.2 4.0
assign (resid   35 and  name HA   )(resid   36 and  name HN   ) 2.0 0.2 1.5
assign (resid   35 and  name HA   )(resid   36 and  name HB#  ) 2.0 0.2 4.0
assign (resid   35 and  name HB#  )(resid   36 and  name HN   ) 2.0 0.2 4.0

!S36
assign (resid   36 and  name HB#  )(resid   36 and  name HN   ) 2.0 0.2 4.0

!Hydrogen bond

!I12
assign (resid   12 and  name HN   )(resid   17 and  name OD1  ) 2.0 0.3 0.4
assign (resid   12 and  name N    )(resid   17 and  name OD1  ) 3.0 0.3 0.4


!V23
assign (resid   23 and  name HN   )(resid   30 and  name O    ) 2.0 0.3 0.4
assign (resid   23 and  name N    )(resid   30 and  name O    ) 3.0 0.3 0.4



!N25
assign (resid   25 and  name HN   )(resid   28 and  name O    ) 2.0 0.3 0.4
assign (resid   25 and  name N    )(resid   28 and  name O    ) 3.0 0.3 0.4


!D28
assign (resid   28 and  name HN   )(resid   25 and  name O    ) 2.0 0.3 0.4
assign (resid   28 and  name N    )(resid   25 and  name O    ) 3.0 0.3 0.4


!K30
assign (resid   30 and  name HN   )(resid   23 and  name O    ) 2.0 0.3 0.4
assign (resid   30 and  name N    )(resid   23 and  name O    ) 3.0 0.3 0.4

!dihedral angle


!L2
assign  (resid 1 and name c)(resid 2 and name n)
        (resid 2 and name ca)(resid 2 and name c) 1.0 -100.0 80.0 2    !Phi

!K4
assign  (resid 3 and name c)(resid 4 and name n)
        (resid 4 and name ca)(resid 4 and name c) 1.0 -100.0 80.0 2    !Phi


!L5
assign  (resid 4 and name c)(resid 5 and name n)
        (resid 5 and name ca)(resid 5 and name c) 1.0 -100.0 80.0 2    !Phi

!D7
assign  (resid 6 and name c)(resid 7 and name n)
        (resid 7 and name ca)(resid 7 and name c) 1.0 -100.0 80.0 2    !Phi

!D8
assign  (resid 7 and name c)(resid 8 and name n)
        (resid 8 and name ca)(resid 8 and name c) 1.0 -100.0 80.0 2    !Phi

!V10
assign  (resid 9 and name c)(resid 10 and name n)
        (resid 10 and name ca)(resid 10 and name c) 1.0 -120.0 50.0 2    !Phi


!I12
assign (resid 11 and name c)(resid 12 and name n)
        (resid 12 and name ca)(resid 12 and name c) 1.0 -120.0 50.0 2 !Phi


!R13
assign  (resid 12 and name c)(resid 13 and name n)
        (resid 13 and name ca)(resid 13 and name c) 1.0 -100.0 80.0 2    !Phi

!R15
assign  (resid 14 and name c)(resid 15 and name n)
        (resid 15 and name ca)(resid 15 and name c) 1.0 -100.0 80.0 2    !Phi

!S16
assign  (resid 15 and name c)(resid 16 and name n)
        (resid 16 and name ca)(resid 16 and name c) 1.0 -100.0 80.0 2    !Phi


!N17
assign  (resid 16 and name c)(resid 17 and name n)
        (resid 17 and name ca)(resid 17 and name c) 1.0 -100.0 80.0 2    !Phi
assign  (resid 17 and name n)(resid 17 and name ca)
        (resid 17 and name cb)(resid 17 and name cg) 1.0  -60.0 60.0  2    !Chi 1

!C18
assign (resid 17 and name c)(resid 18 and name n)
        (resid 18 and name ca)(resid 18 and name c) 1.0 -120.0 50.0 2 !Phi
assign  (resid 18 and name n)(resid 18 and name ca)
        (resid 18 and name cb)(resid 18 and name sg) 1.0  -60.0 60.0  2    !Chi 1

!K20
assign (resid 19 and name c)(resid 20 and name n)
        (resid 20 and name ca)(resid 20 and name c) 1.0 -60.0 30.0 2  !Phi

!K22
assign (resid 21 and name c)(resid 22 and name n)
        (resid 22 and name ca)(resid 22 and name c) 1.0 -120.0 40.0 2 !Phi

!V23
assign (resid 22 and name c)(resid 23 and name n)
        (resid 23 and name ca)(resid 23 and name c) 1.0 -120.0 40.0 2 !Phi
assign (resid 23 and name n)(resid 23 and name ca)
        (resid 23 and name c)(resid 24 and name n) 1.0 120.0 60.0 2  !Psi


!W24
assign (resid 23 and name c)(resid 24 and name n)
        (resid 24 and name ca)(resid 24 and name c) 1.0 -120.0 50.0 2 !Phi
assign (resid 24 and name n)(resid 24 and name ca)
        (resid 24 and name c)(resid 25 and name n) 1.0 120.0 60.0 2  !Psi
assign  (resid 24 and name n)(resid 24 and name ca)
        (resid 24 and name cb)(resid 24 and name cg) 1.0  180.0 60.0  2    !Chi 1

!N25
assign (resid 24 and name c)(resid 25 and name n)
        (resid 25 and name ca)(resid 25 and name c) 1.0 -120.0 40.0 2 !Phi

!F27
assign (resid 26 and name c)(resid 27 and name n)
        (resid 27 and name ca)(resid 27 and name c) 1.0 -120.0 40.0 2 !Phi


!D28
assign (resid 27 and name c)(resid 28 and name n)
        (resid 28 and name ca)(resid 28 and name c) 1.0 -120.0 50.0 2 !Phi
assign (resid 28 and name n)(resid 28 and name ca)
        (resid 28 and name c)(resid 29 and name n) 1.0 120.0 60.0 2  !Psi
assign  (resid 28 and name n)(resid 28 and name ca)
        (resid 28 and name cb)(resid 28 and name cg) 1.0  -60.0 60.0  2    !Chi 1

!C29
assign (resid 28 and name c)(resid 29 and name n)
        (resid 29 and name ca)(resid 29 and name c) 1.0 -120.0 50.0 2 !Phi
assign (resid 29 and name n)(resid 29 and name ca)
        (resid 29 and name c)(resid 30 and name n) 1.0 120.0 60.0 2  !Psi
assign  (resid 29 and name n)(resid 29 and name ca)
        (resid 29 and name cb)(resid 29 and name sg) 1.0 180.0 60.0  2    !Chi 1

!K30
assign (resid 29 and name c)(resid 30 and name n)
        (resid 30 and name ca)(resid 30 and name c) 1.0 -120.0 40.0 2 !Phi

!S31
assign  (resid 30 and name c)(resid 31 and name n)
        (resid 31 and name ca)(resid 31 and name c) 1.0 -100.0 80.0 2    !Phi

F33
assign  (resid 32 and name c)(resid 33 and name n)
        (resid 33 and name ca)(resid 33 and name c) 1.0 -100.0 80.0 2    !Phi
assign  (resid 33 and name n)(resid 33 and name ca)
        (resid 33 and name cb)(resid 33 and name cg) 1.0  -60.0 60.0  2    !Chi 1

!A34
assign  (resid 33 and name c)(resid 34 and name n)
        (resid 34 and name ca)(resid 34 and name c) 1.0 -100.0 80.0 2    !Phi

!F35
assign  (resid 34 and name c)(resid 35 and name n)
        (resid 35 and name ca)(resid 35 and name c) 1.0 -100.0 80.0 2    !Phi
assign  (resid 35 and name n)(resid 35 and name ca)
        (resid 35 and name cb)(resid 35 and name cg) 1.0  -60.0 60.0  2    !Chi 1


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLU   1          1HT       GLU   1 -10.540  -3.672  -6.889
    2   2H    GLU   1          2HT       GLU   1 -10.493  -1.970  -7.100
    3   3H    GLU   1          3HT       GLU   1  -9.657  -2.698  -5.790
    4    HA   GLU   1           HA       GLU   1  -9.074  -3.113  -8.644
    5   1HB   GLU   1          2HB       GLU   1  -8.647  -0.819  -7.453
    6   2HB   GLU   1          1HB       GLU   1  -7.327  -1.679  -6.672
    7   1HG   GLU   1          2HG       GLU   1  -6.047  -1.509  -8.470
    8   2HG   GLU   1          1HG       GLU   1  -7.321  -2.138  -9.515
    9    H    LEU   2           H        LEU   2  -7.656  -4.717  -9.063
   10    HA   LEU   2           HA       LEU   2  -7.067  -6.596  -6.997
   11   1HB   LEU   2          2HB       LEU   2  -7.550  -7.423  -9.189
   12   2HB   LEU   2          1HB       LEU   2  -6.271  -6.460  -9.897
   13    HG   LEU   2           HG       LEU   2  -5.124  -8.164  -7.912
   14   1HD1  LEU   2          1HD1      LEU   2  -7.119  -9.559  -8.241
   15   2HD1  LEU   2          2HD1      LEU   2  -5.653 -10.342  -8.832
   16   3HD1  LEU   2          3HD1      LEU   2  -6.781  -9.611  -9.972
   17   1HD2  LEU   2          1HD2      LEU   2  -4.444  -9.063 -10.473
   18   2HD2  LEU   2          2HD2      LEU   2  -3.551  -7.928  -9.460
   19   3HD2  LEU   2          3HD2      LEU   2  -4.724  -7.328 -10.632
   20    HA   PRO   3           HA       PRO   3  -2.606  -5.042  -7.512
   21   1HB   PRO   3          2HB       PRO   3  -2.020  -3.058  -9.162
   22   2HB   PRO   3          1HB       PRO   3  -2.399  -4.663  -9.803
   23   1HG   PRO   3          2HG       PRO   3  -4.138  -2.232  -9.642
   24   2HG   PRO   3          1HG       PRO   3  -3.954  -3.389 -10.972
   25   1HD   PRO   3          2HD       PRO   3  -5.990  -3.440  -9.082
   26   2HD   PRO   3          1HD       PRO   3  -5.486  -4.818 -10.079
   27    H    LYS   4           H        LYS   4  -2.408  -4.215  -5.482
   28    HA   LYS   4           HA       LYS   4  -3.673  -1.888  -4.543
   29   1HB   LYS   4          2HB       LYS   4  -1.307  -3.459  -3.544
   30   2HB   LYS   4          1HB       LYS   4  -1.953  -2.069  -2.682
   31   1HG   LYS   4          2HG       LYS   4  -2.927  -3.922  -1.670
   32   2HG   LYS   4          1HG       LYS   4  -4.180  -3.267  -2.724
   33   1HD   LYS   4          2HD       LYS   4  -4.032  -5.729  -2.837
   34   2HD   LYS   4          1HD       LYS   4  -3.724  -4.952  -4.390
   35   1HE   LYS   4          2HE       LYS   4  -2.153  -6.787  -3.935
   36   2HE   LYS   4          1HE       LYS   4  -1.337  -5.233  -4.093
   37   1HZ   LYS   4          1HZ       LYS   4  -1.996  -6.607  -1.544
   38   2HZ   LYS   4          2HZ       LYS   4  -1.261  -5.089  -1.668
   39   3HZ   LYS   4          3HZ       LYS   4  -0.457  -6.467  -2.232
   40    H    LEU   5           H        LEU   5  -3.312   0.001  -5.600
   41    HA   LEU   5           HA       LEU   5  -0.668   1.147  -5.330
   42   1HB   LEU   5          2HB       LEU   5  -0.845   1.979  -7.761
   43   2HB   LEU   5          1HB       LEU   5  -0.284   0.345  -7.462
   44    HG   LEU   5           HG       LEU   5  -2.946  -0.091  -7.766
   45   1HD1  LEU   5          1HD1      LEU   5  -2.217   2.266  -9.486
   46   2HD1  LEU   5          2HD1      LEU   5  -3.539   2.138  -8.325
   47   3HD1  LEU   5          3HD1      LEU   5  -3.581   1.198  -9.816
   48   1HD2  LEU   5          1HD2      LEU   5  -2.398  -0.991  -9.910
   49   2HD2  LEU   5          2HD2      LEU   5  -1.007  -1.232  -8.853
   50   3HD2  LEU   5          3HD2      LEU   5  -0.991   0.061 -10.052
   51    HA   PRO   6           HA       PRO   6  -4.142   4.307  -5.271
   52   1HB   PRO   6          2HB       PRO   6  -5.459   4.057  -2.977
   53   2HB   PRO   6          1HB       PRO   6  -5.829   2.992  -4.340
   54   1HG   PRO   6          2HG       PRO   6  -4.322   2.417  -1.844
   55   2HG   PRO   6          1HG       PRO   6  -5.335   1.344  -2.821
   56   1HD   PRO   6          2HD       PRO   6  -2.507   1.563  -2.880
   57   2HD   PRO   6          1HD       PRO   6  -3.536   0.614  -3.956
   58    H    ASP   7           H        ASP   7  -4.672   5.857  -3.118
   59    HA   ASP   7           HA       ASP   7  -2.685   6.183  -1.201
   60   1HB   ASP   7          2HB       ASP   7  -1.247   7.869  -2.069
   61   2HB   ASP   7          1HB       ASP   7  -1.296   6.588  -3.274
   62    H    ASP   8           H        ASP   8  -4.818   7.912  -3.416
   63    HA   ASP   8           HA       ASP   8  -5.831   9.450  -1.119
   64   1HB   ASP   8          2HB       ASP   8  -6.231  11.350  -2.623
   65   2HB   ASP   8          1HB       ASP   8  -4.524  10.919  -2.585
   66    H    LYS   9           H        LYS   9  -6.935   7.029  -1.777
   67    HA   LYS   9           HA       LYS   9  -9.543   7.857  -2.830
   68   1HB   LYS   9          2HB       LYS   9  -8.985   5.088  -3.457
   69   2HB   LYS   9          1HB       LYS   9  -9.542   6.382  -4.509
   70   1HG   LYS   9          2HG       LYS   9  -6.665   6.227  -3.722
   71   2HG   LYS   9          1HG       LYS   9  -7.298   5.199  -5.010
   72   1HD   LYS   9          2HD       LYS   9  -8.309   7.496  -5.849
   73   2HD   LYS   9          1HD       LYS   9  -6.958   8.153  -4.922
   74   1HE   LYS   9          2HE       LYS   9  -6.617   7.610  -7.428
   75   2HE   LYS   9          1HE       LYS   9  -5.371   7.142  -6.272
   76   1HZ   LYS   9          1HZ       LYS   9  -7.505   5.248  -7.004
   77   2HZ   LYS   9          2HZ       LYS   9  -5.953   4.927  -6.415
   78   3HZ   LYS   9          3HZ       LYS   9  -6.161   5.444  -8.012
   79    H    VAL  10           H        VAL  10  -8.003   4.958  -1.465
   80    HA   VAL  10           HA       VAL  10 -10.052   4.947   0.641
   81    HB   VAL  10           HB       VAL  10  -9.107   2.561  -0.946
   82   1HG1  VAL  10          1HG1      VAL  10  -9.361   1.764   1.237
   83   2HG1  VAL  10          2HG1      VAL  10 -10.901   1.401   0.457
   84   3HG1  VAL  10          3HG1      VAL  10 -10.767   2.785   1.542
   85   1HG2  VAL  10          1HG2      VAL  10 -11.754   2.498  -1.200
   86   2HG2  VAL  10          2HG2      VAL  10 -10.724   3.414  -2.302
   87   3HG2  VAL  10          3HG2      VAL  10 -11.555   4.236  -0.982
   88    H    LEU  11           H        LEU  11  -6.844   3.961  -0.409
   89    HA   LEU  11           HA       LEU  11  -5.058   3.100   0.756
   90   1HB   LEU  11          2HB       LEU  11  -4.671   4.695   2.848
   91   2HB   LEU  11          1HB       LEU  11  -4.373   5.208   1.199
   92    HG   LEU  11           HG       LEU  11  -7.053   5.700   2.442
   93   1HD1  LEU  11          1HD1      LEU  11  -6.367   7.381   3.758
   94   2HD1  LEU  11          2HD1      LEU  11  -5.125   7.900   2.620
   95   3HD1  LEU  11          3HD1      LEU  11  -4.808   6.556   3.717
   96   1HD2  LEU  11          1HD2      LEU  11  -7.311   6.503   0.370
   97   2HD2  LEU  11          2HD2      LEU  11  -5.575   6.502   0.057
   98   3HD2  LEU  11          3HD2      LEU  11  -6.315   7.854   0.913
   99    H    ILE  12           H        ILE  12  -7.173   1.496   1.346
  100    HA   ILE  12           HA       ILE  12  -7.690   1.263   4.133
  101    HB   ILE  12           HB       ILE  12  -8.195  -1.234   3.360
  102   1HG1  ILE  12          2HG1      ILE  12  -9.093  -0.078   0.834
  103   2HG1  ILE  12          1HG1      ILE  12  -7.345  -0.188   0.959
  104   1HG2  ILE  12          1HG2      ILE  12  -9.775   1.258   3.171
  105   2HG2  ILE  12          2HG2      ILE  12  -9.985  -0.151   4.212
  106   3HG2  ILE  12          3HG2      ILE  12 -10.471  -0.225   2.517
  107   1HD1  ILE  12          1HD1      ILE  12  -8.893  -2.174   0.069
  108   2HD1  ILE  12          2HD1      ILE  12  -8.828  -2.581   1.785
  109   3HD1  ILE  12          3HD1      ILE  12  -7.336  -2.425   0.858
  110    H    ARG  13           H        ARG  13  -6.236   0.731   5.611
  111    HA   ARG  13           HA       ARG  13  -3.753  -0.486   5.060
  112   1HB   ARG  13          2HB       ARG  13  -4.973   0.710   7.270
  113   2HB   ARG  13          1HB       ARG  13  -4.674  -0.946   7.777
  114   1HG   ARG  13          2HG       ARG  13  -2.594  -0.353   8.242
  115   2HG   ARG  13          1HG       ARG  13  -2.325  -0.143   6.510
  116   1HD   ARG  13          2HD       ARG  13  -1.800   1.963   7.102
  117   2HD   ARG  13          1HD       ARG  13  -3.549   2.189   7.104
  118    HE   ARG  13           HE       ARG  13  -2.999   1.349   9.629
  119   1HH1  ARG  13          1HH1      ARG  13  -1.806   3.911   7.601
  120   2HH1  ARG  13          2HH1      ARG  13  -1.440   4.967   8.924
  121   1HH2  ARG  13          1HH2      ARG  13  -2.521   2.729  11.384
  122   2HH2  ARG  13          2HH2      ARG  13  -1.846   4.294  11.077
  123    H    SER  14           H        SER  14  -6.901  -1.692   5.479
  124    HA   SER  14           HA       SER  14  -7.069  -4.048   6.538
  125   1HB   SER  14          2HB       SER  14  -7.838  -3.240   3.770
  126   2HB   SER  14          1HB       SER  14  -8.076  -4.917   4.262
  127    HG   SER  14           HG       SER  14  -9.312  -2.587   5.190
  128    H    ARG  15           H        ARG  15  -6.165  -4.443   3.186
  129    HA   ARG  15           HA       ARG  15  -3.621  -5.559   3.579
  130   1HB   ARG  15          2HB       ARG  15  -4.232  -7.976   3.150
  131   2HB   ARG  15          1HB       ARG  15  -4.619  -7.374   4.756
  132   1HG   ARG  15          2HG       ARG  15  -6.814  -7.685   4.474
  133   2HG   ARG  15          1HG       ARG  15  -6.789  -7.066   2.822
  134   1HD   ARG  15          2HD       ARG  15  -5.431  -9.453   2.621
  135   2HD   ARG  15          1HD       ARG  15  -6.694  -9.809   3.798
  136    HE   ARG  15           HE       ARG  15  -8.307  -9.456   2.157
  137   1HH1  ARG  15          1HH1      ARG  15  -5.112  -8.783   0.933
  138   2HH1  ARG  15          2HH1      ARG  15  -5.611  -8.794  -0.726
  139   1HH2  ARG  15          1HH2      ARG  15  -8.966  -9.467  -0.019
  140   2HH2  ARG  15          2HH2      ARG  15  -7.799  -9.183  -1.266
  141    H    SER  16           H        SER  16  -5.014  -3.862   1.827
  142    HA   SER  16           HA       SER  16  -4.045  -4.866  -0.667
  143   1HB   SER  16          2HB       SER  16  -7.008  -4.401  -0.699
  144   2HB   SER  16          1HB       SER  16  -6.007  -5.296  -1.842
  145    HG   SER  16           HG       SER  16  -7.372  -6.526  -0.279
  146    H    ASN  17           H        ASN  17  -3.281  -2.584   0.534
  147    HA   ASN  17           HA       ASN  17  -3.966  -0.621  -1.400
  148   1HB   ASN  17          2HB       ASN  17  -5.643  -0.770   0.865
  149   2HB   ASN  17          1HB       ASN  17  -4.663   0.680   1.040
  150   1HD2  ASN  17          1HD2      ASN  17  -6.372  -1.046  -1.547
  151   2HD2  ASN  17          2HD2      ASN  17  -7.113   0.357  -2.229
  152    H    CYS  18           H        CYS  18  -2.913   1.436  -1.063
  153    HA   CYS  18           HA       CYS  18  -0.650   1.361   0.806
  154   1HB   CYS  18          2HB       CYS  18  -0.124   2.679  -1.775
  155   2HB   CYS  18          1HB       CYS  18   0.916   1.642  -0.830
  156    HA   PRO  19           HA       PRO  19  -2.557   5.186   2.050
  157   1HB   PRO  19          2HB       PRO  19   0.157   5.647   3.181
  158   2HB   PRO  19          1HB       PRO  19  -1.424   5.750   3.965
  159   1HG   PRO  19          2HG       PRO  19   0.159   3.670   4.420
  160   2HG   PRO  19          1HG       PRO  19  -1.591   3.443   4.220
  161   1HD   PRO  19          2HD       PRO  19   0.622   2.926   2.274
  162   2HD   PRO  19          1HD       PRO  19  -0.840   1.973   2.593
  163    H    LYS  20           H        LYS  20  -1.774   7.564   2.197
  164    HA   LYS  20           HA       LYS  20  -1.326   8.549  -0.363
  165   1HB   LYS  20          2HB       LYS  20  -0.852  10.708   0.781
  166   2HB   LYS  20          1HB       LYS  20  -2.310   9.917   1.370
  167   1HG   LYS  20          2HG       LYS  20  -0.914   8.971   3.232
  168   2HG   LYS  20          1HG       LYS  20   0.376  10.053   2.701
  169   1HD   LYS  20          2HD       LYS  20  -1.459  11.894   2.889
  170   2HD   LYS  20          1HD       LYS  20  -2.278  10.716   3.918
  171   1HE   LYS  20          2HE       LYS  20   0.459  10.859   4.693
  172   2HE   LYS  20          1HE       LYS  20  -0.183  12.498   4.598
  173   1HZ   LYS  20          1HZ       LYS  20  -2.158  11.339   5.892
  174   2HZ   LYS  20          2HZ       LYS  20  -0.816  11.983   6.694
  175   3HZ   LYS  20          3HZ       LYS  20  -0.906  10.320   6.400
  176    H    GLY  21           H        GLY  21   0.483   9.102  -1.519
  177   1HA   GLY  21          2HA       GLY  21   2.697   8.685  -2.159
  178   2HA   GLY  21          1HA       GLY  21   2.963   9.833  -0.853
  179    H    LYS  22           H        LYS  22   2.753   6.407  -1.646
  180    HA   LYS  22           HA       LYS  22   4.545   5.862   0.595
  181   1HB   LYS  22          2HB       LYS  22   3.233   4.099   1.411
  182   2HB   LYS  22          1HB       LYS  22   2.105   5.397   1.127
  183   1HG   LYS  22          2HG       LYS  22   2.541   2.960  -0.564
  184   2HG   LYS  22          1HG       LYS  22   1.126   3.357   0.410
  185   1HD   LYS  22          2HD       LYS  22   0.300   4.203  -1.490
  186   2HD   LYS  22          1HD       LYS  22   1.345   5.560  -1.152
  187   1HE   LYS  22          2HE       LYS  22   1.423   4.411  -3.486
  188   2HE   LYS  22          1HE       LYS  22   2.913   4.931  -2.708
  189   1HZ   LYS  22          1HZ       LYS  22   1.905   2.191  -2.326
  190   2HZ   LYS  22          2HZ       LYS  22   3.479   2.776  -2.161
  191   3HZ   LYS  22          3HZ       LYS  22   2.806   2.590  -3.700
  192    H    VAL  23           H        VAL  23   4.649   3.097   0.266
  193    HA   VAL  23           HA       VAL  23   5.277   2.439  -2.448
  194    HB   VAL  23           HB       VAL  23   7.737   1.930  -1.202
  195   1HG1  VAL  23          1HG1      VAL  23   8.489   3.650  -2.938
  196   2HG1  VAL  23          2HG1      VAL  23   6.781   3.770  -3.365
  197   3HG1  VAL  23          3HG1      VAL  23   7.623   2.227  -3.517
  198   1HG2  VAL  23          1HG2      VAL  23   7.273   4.877  -1.069
  199   2HG2  VAL  23          2HG2      VAL  23   8.516   3.900  -0.289
  200   3HG2  VAL  23          3HG2      VAL  23   6.860   3.862   0.313
  201    H    TRP  24           H        TRP  24   4.906   0.333  -2.685
  202    HA   TRP  24           HA       TRP  24   4.438  -1.342  -0.466
  203   1HB   TRP  24          2HB       TRP  24   3.175  -1.831  -2.349
  204   2HB   TRP  24          1HB       TRP  24   4.556  -1.714  -3.399
  205    HD1  TRP  24           HD       TRP  24   5.900  -3.918  -3.888
  206    HE1  TRP  24           1HE      TRP  24   5.456  -6.395  -3.384
  207    HE3  TRP  24           3HE      TRP  24   2.253  -3.359  -0.390
  208    HZ2  TRP  24           2HZ      TRP  24   3.769  -7.913  -1.719
  209    HZ3  TRP  24           3HZ      TRP  24   1.292  -5.379   0.631
  210    HH2  TRP  24           HH       TRP  24   2.023  -7.602  -0.022
  211    H    ASN  25           H        ASN  25   5.390  -3.504  -0.322
  212    HA   ASN  25           HA       ASN  25   8.228  -3.700  -0.940
  213   1HB   ASN  25          2HB       ASN  25   8.005  -2.493   1.271
  214   2HB   ASN  25          1HB       ASN  25   7.238  -3.941   1.912
  215   1HD2  ASN  25          1HD2      ASN  25   8.467  -5.708   2.398
  216   2HD2  ASN  25          2HD2      ASN  25  10.195  -5.698   2.379
  217    H    GLY  26           H        GLY  26   9.013  -5.927   0.077
  218   1HA   GLY  26          2HA       GLY  26   8.096  -8.034  -1.177
  219   2HA   GLY  26          1HA       GLY  26   8.580  -8.188   0.500
  220    H    PHE  27           H        PHE  27   6.280  -6.678   1.567
  221    HA   PHE  27           HA       PHE  27   3.924  -8.000   0.679
  222   1HB   PHE  27          2HB       PHE  27   3.651  -9.036   3.061
  223   2HB   PHE  27          1HB       PHE  27   4.566  -9.893   1.825
  224    HD1  PHE  27           1HD      PHE  27   5.232  -7.230   4.354
  225    HD2  PHE  27           2HD      PHE  27   6.491 -10.879   2.563
  226    HE1  PHE  27           1HE      PHE  27   7.187  -7.283   5.846
  227    HE2  PHE  27           2HE      PHE  27   8.450 -10.939   4.052
  228    HZ   PHE  27           HZ       PHE  27   8.798  -9.139   5.697
  229    H    ASP  28           H        ASP  28   4.377  -5.268   0.926
  230    HA   ASP  28           HA       ASP  28   2.263  -4.534   2.715
  231   1HB   ASP  28          2HB       ASP  28   5.081  -4.100   3.591
  232   2HB   ASP  28          1HB       ASP  28   3.840  -2.932   4.030
  233    H    CYS  29           H        CYS  29   1.319  -2.743   1.978
  234    HA   CYS  29           HA       CYS  29   2.792  -1.075   0.068
  235   1HB   CYS  29          2HB       CYS  29   0.124  -2.070   0.175
  236   2HB   CYS  29          1HB       CYS  29   0.067  -0.312   0.260
  237    H    LYS  30           H        LYS  30   3.940   0.340   1.385
  238    HA   LYS  30           HA       LYS  30   2.400   2.468   2.545
  239   1HB   LYS  30          2HB       LYS  30   4.254   1.325   4.564
  240   2HB   LYS  30          1HB       LYS  30   2.793   2.271   4.790
  241   1HG   LYS  30          2HG       LYS  30   2.625  -0.525   3.784
  242   2HG   LYS  30          1HG       LYS  30   2.863  -0.201   5.495
  243   1HD   LYS  30          2HD       LYS  30   0.780   0.691   5.766
  244   2HD   LYS  30          1HD       LYS  30   0.702   1.287   4.106
  245   1HE   LYS  30          2HE       LYS  30  -0.554  -0.471   3.586
  246   2HE   LYS  30          1HE       LYS  30   0.831  -1.510   3.921
  247   1HZ   LYS  30          1HZ       LYS  30  -0.427  -0.757   6.339
  248   2HZ   LYS  30          2HZ       LYS  30  -0.191  -2.306   5.701
  249   3HZ   LYS  30          3HZ       LYS  30  -1.574  -1.424   5.289
  250    H    SER  31           H        SER  31   3.759   4.090   3.608
  251    HA   SER  31           HA       SER  31   5.625   5.095   1.887
  252   1HB   SER  31          2HB       SER  31   4.506   5.914   4.298
  253   2HB   SER  31          1HB       SER  31   6.242   5.897   4.614
  254    HG   SER  31           HG       SER  31   4.926   7.234   2.483
  255    HA   PRO  32           HA       PRO  32   9.431   3.044   2.583
  256   1HB   PRO  32          2HB       PRO  32  11.229   4.989   2.072
  257   2HB   PRO  32          1HB       PRO  32  10.216   4.292   0.802
  258   1HG   PRO  32          2HG       PRO  32   9.892   6.867   2.284
  259   2HG   PRO  32          1HG       PRO  32   9.646   6.526   0.563
  260   1HD   PRO  32          2HD       PRO  32   7.614   6.696   2.394
  261   2HD   PRO  32          1HD       PRO  32   7.520   5.744   0.901
  262    H    PHE  33           H        PHE  33   8.597   5.784   4.467
  263    HA   PHE  33           HA       PHE  33  10.781   6.004   6.181
  264   1HB   PHE  33          2HB       PHE  33   8.002   6.228   7.257
  265   2HB   PHE  33          1HB       PHE  33   9.398   7.255   7.557
  266    HD1  PHE  33           1HD      PHE  33   6.321   7.568   6.447
  267    HD2  PHE  33           2HD      PHE  33  10.261   8.022   4.906
  268    HE1  PHE  33           1HE      PHE  33   5.480   9.169   4.781
  269    HE2  PHE  33           2HE      PHE  33   9.427   9.624   3.236
  270    HZ   PHE  33           HZ       PHE  33   7.035  10.202   3.172
  271    H    ALA  34           H        ALA  34   8.292   3.612   5.922
  272    HA   ALA  34           HA       ALA  34   9.279   2.292   8.361
  273   1HB   ALA  34          1HB       ALA  34   7.184   1.679   8.876
  274   2HB   ALA  34          2HB       ALA  34   6.785   1.284   7.203
  275   3HB   ALA  34          3HB       ALA  34   6.711   2.957   7.757
  276    H    PHE  35           H        PHE  35  10.720   2.097   5.979
  277    HA   PHE  35           HA       PHE  35  10.960  -0.724   5.746
  278   1HB   PHE  35          2HB       PHE  35   9.758   0.783   3.425
  279   2HB   PHE  35          1HB       PHE  35  10.556  -0.774   3.236
  280    HD1  PHE  35           1HD      PHE  35   7.488   0.810   3.703
  281    HD2  PHE  35           2HD      PHE  35   9.666  -2.648   4.894
  282    HE1  PHE  35           1HE      PHE  35   5.376  -0.325   4.259
  283    HE2  PHE  35           2HE      PHE  35   7.557  -3.788   5.452
  284    HZ   PHE  35           HZ       PHE  35   5.409  -2.625   5.135
  285    H    SER  36           H        SER  36  11.665   2.416   4.322
  286    HA   SER  36           HA       SER  36  14.117   1.623   3.112
  287   1HB   SER  36          2HB       SER  36  12.697   4.193   3.608
  288   2HB   SER  36          1HB       SER  36  14.428   4.269   3.278
  289    HG   SER  36           HG       SER  36  14.071   3.243   1.320
  Start of MODEL    2
    1   1H    GLU   1          1HT       GLU   1  -4.181 -12.483  -6.171
    2   2H    GLU   1          2HT       GLU   1  -4.810 -11.571  -7.483
    3   3H    GLU   1          3HT       GLU   1  -5.643 -11.605  -5.983
    4    HA   GLU   1           HA       GLU   1  -3.487 -10.676  -5.043
    5   1HB   GLU   1          2HB       GLU   1  -2.363 -11.088  -7.286
    6   2HB   GLU   1          1HB       GLU   1  -3.299  -9.734  -7.905
    7   1HG   GLU   1          2HG       GLU   1  -1.272  -8.768  -7.373
    8   2HG   GLU   1          1HG       GLU   1  -2.262  -8.409  -5.958
    9    H    LEU   2           H        LEU   2  -3.634  -8.475  -4.435
   10    HA   LEU   2           HA       LEU   2  -6.178  -7.213  -5.207
   11   1HB   LEU   2          2HB       LEU   2  -4.688  -7.412  -2.651
   12   2HB   LEU   2          1HB       LEU   2  -5.535  -5.908  -2.957
   13    HG   LEU   2           HG       LEU   2  -6.836  -7.556  -1.620
   14   1HD1  LEU   2          1HD1      LEU   2  -8.099  -6.970  -4.288
   15   2HD1  LEU   2          2HD1      LEU   2  -7.878  -5.767  -3.018
   16   3HD1  LEU   2          3HD1      LEU   2  -8.908  -7.169  -2.734
   17   1HD2  LEU   2          1HD2      LEU   2  -6.069  -9.600  -2.684
   18   2HD2  LEU   2          2HD2      LEU   2  -6.834  -9.119  -4.199
   19   3HD2  LEU   2          3HD2      LEU   2  -7.825  -9.475  -2.785
   20    HA   PRO   3           HA       PRO   3  -3.988  -3.854  -7.035
   21   1HB   PRO   3          2HB       PRO   3  -5.817  -1.866  -6.690
   22   2HB   PRO   3          1HB       PRO   3  -5.994  -3.146  -7.896
   23   1HG   PRO   3          2HG       PRO   3  -7.230  -2.922  -5.179
   24   2HG   PRO   3          1HG       PRO   3  -7.973  -3.431  -6.707
   25   1HD   PRO   3          2HD       PRO   3  -7.172  -5.208  -4.842
   26   2HD   PRO   3          1HD       PRO   3  -7.080  -5.558  -6.580
   27    H    LYS   4           H        LYS   4  -2.810  -4.295  -4.700
   28    HA   LYS   4           HA       LYS   4  -3.085  -2.343  -2.705
   29   1HB   LYS   4          2HB       LYS   4  -1.042  -4.358  -3.454
   30   2HB   LYS   4          1HB       LYS   4  -0.513  -3.049  -2.406
   31   1HG   LYS   4          2HG       LYS   4  -1.151  -4.691  -0.912
   32   2HG   LYS   4          1HG       LYS   4  -2.579  -3.657  -0.986
   33   1HD   LYS   4          2HD       LYS   4  -3.773  -5.449  -1.527
   34   2HD   LYS   4          1HD       LYS   4  -2.886  -5.527  -3.047
   35   1HE   LYS   4          2HE       LYS   4  -2.843  -7.655  -1.785
   36   2HE   LYS   4          1HE       LYS   4  -1.239  -6.983  -2.070
   37   1HZ   LYS   4          1HZ       LYS   4  -1.868  -5.913   0.308
   38   2HZ   LYS   4          2HZ       LYS   4  -0.982  -7.342   0.112
   39   3HZ   LYS   4          3HZ       LYS   4  -2.644  -7.412   0.419
   40    H    LEU   5           H        LEU   5  -3.285  -0.649  -4.670
   41    HA   LEU   5           HA       LEU   5  -0.797   0.851  -4.554
   42   1HB   LEU   5          2HB       LEU   5  -1.894   1.233  -7.160
   43   2HB   LEU   5          1HB       LEU   5  -0.293   0.696  -6.703
   44    HG   LEU   5           HG       LEU   5  -2.034  -1.534  -6.421
   45   1HD1  LEU   5          1HD1      LEU   5  -3.653  -1.050  -7.896
   46   2HD1  LEU   5          2HD1      LEU   5  -2.422  -1.441  -9.097
   47   3HD1  LEU   5          3HD1      LEU   5  -2.719   0.240  -8.653
   48   1HD2  LEU   5          1HD2      LEU   5  -0.609  -2.229  -8.490
   49   2HD2  LEU   5          2HD2      LEU   5   0.162  -2.002  -6.920
   50   3HD2  LEU   5          3HD2      LEU   5   0.265  -0.737  -8.144
   51    HA   PRO   6           HA       PRO   6  -4.774   3.525  -4.742
   52   1HB   PRO   6          2HB       PRO   6  -6.053   3.320  -2.421
   53   2HB   PRO   6          1HB       PRO   6  -6.313   2.121  -3.696
   54   1HG   PRO   6          2HG       PRO   6  -4.541   1.951  -1.280
   55   2HG   PRO   6          1HG       PRO   6  -5.687   0.751  -1.907
   56   1HD   PRO   6          2HD       PRO   6  -3.007   0.657  -2.406
   57   2HD   PRO   6          1HD       PRO   6  -4.243   0.016  -3.504
   58    H    ASP   7           H        ASP   7  -5.287   5.465  -3.330
   59    HA   ASP   7           HA       ASP   7  -3.787   6.197  -1.107
   60   1HB   ASP   7          2HB       ASP   7  -2.441   7.990  -2.699
   61   2HB   ASP   7          1HB       ASP   7  -1.748   6.535  -1.990
   62    H    ASP   8           H        ASP   8  -5.847   7.004  -0.617
   63    HA   ASP   8           HA       ASP   8  -6.307   9.698  -1.625
   64   1HB   ASP   8          2HB       ASP   8  -7.719   8.370  -3.084
   65   2HB   ASP   8          1HB       ASP   8  -8.413   7.526  -1.703
   66    H    LYS   9           H        LYS   9  -5.395   8.485   0.879
   67    HA   LYS   9           HA       LYS   9  -5.660   8.682   3.116
   68   1HB   LYS   9          2HB       LYS   9  -7.471  10.931   2.247
   69   2HB   LYS   9          1HB       LYS   9  -6.850  10.704   3.876
   70   1HG   LYS   9          2HG       LYS   9  -5.044  11.863   3.339
   71   2HG   LYS   9          1HG       LYS   9  -4.643  10.663   2.110
   72   1HD   LYS   9          2HD       LYS   9  -6.535  12.025   0.790
   73   2HD   LYS   9          1HD       LYS   9  -5.933  13.312   1.834
   74   1HE   LYS   9          2HE       LYS   9  -3.845  11.701   0.552
   75   2HE   LYS   9          1HE       LYS   9  -4.856  12.613  -0.568
   76   1HZ   LYS   9          1HZ       LYS   9  -3.216  14.116  -0.067
   77   2HZ   LYS   9          2HZ       LYS   9  -3.063  13.607   1.539
   78   3HZ   LYS   9          3HZ       LYS   9  -4.391  14.543   1.073
   79    H    VAL  10           H        VAL  10  -7.684   7.159   1.402
   80    HA   VAL  10           HA       VAL  10  -9.676   6.788   3.537
   81    HB   VAL  10           HB       VAL  10 -10.134   6.803   0.556
   82   1HG1  VAL  10          1HG1      VAL  10 -11.368   4.938   1.202
   83   2HG1  VAL  10          2HG1      VAL  10 -12.543   6.250   1.292
   84   3HG1  VAL  10          3HG1      VAL  10 -11.790   5.637   2.764
   85   1HG2  VAL  10          1HG2      VAL  10 -10.547   8.701   2.661
   86   2HG2  VAL  10          2HG2      VAL  10 -12.098   8.247   1.954
   87   3HG2  VAL  10          3HG2      VAL  10 -10.813   8.883   0.927
   88    H    LEU  11           H        LEU  11  -7.181   5.457   1.846
   89    HA   LEU  11           HA       LEU  11  -7.880   2.928   1.094
   90   1HB   LEU  11          2HB       LEU  11  -5.472   2.369   1.964
   91   2HB   LEU  11          1HB       LEU  11  -5.709   3.415   0.581
   92    HG   LEU  11           HG       LEU  11  -4.024   4.042   2.500
   93   1HD1  LEU  11          1HD1      LEU  11  -3.898   5.721   1.059
   94   2HD1  LEU  11          2HD1      LEU  11  -5.145   6.529   2.008
   95   3HD1  LEU  11          3HD1      LEU  11  -5.595   5.553   0.609
   96   1HD2  LEU  11          1HD2      LEU  11  -4.846   5.200   4.312
   97   2HD2  LEU  11          2HD2      LEU  11  -6.034   3.909   4.145
   98   3HD2  LEU  11          3HD2      LEU  11  -6.397   5.525   3.540
   99    H    ILE  12           H        ILE  12  -6.627   1.026   2.455
  100    HA   ILE  12           HA       ILE  12  -7.792   0.997   5.149
  101    HB   ILE  12           HB       ILE  12  -7.961  -1.623   4.397
  102   1HG1  ILE  12          2HG1      ILE  12  -9.513  -0.626   2.177
  103   2HG1  ILE  12          1HG1      ILE  12  -7.813  -0.246   1.957
  104   1HG2  ILE  12          1HG2      ILE  12 -10.452  -0.311   3.853
  105   2HG2  ILE  12          2HG2      ILE  12  -9.660   0.397   5.260
  106   3HG2  ILE  12          3HG2      ILE  12  -9.987  -1.334   5.212
  107   1HD1  ILE  12          1HD1      ILE  12  -7.210  -2.559   2.201
  108   2HD1  ILE  12          2HD1      ILE  12  -8.449  -2.392   0.956
  109   3HD1  ILE  12          3HD1      ILE  12  -8.883  -2.986   2.559
  110    H    ARG  13           H        ARG  13  -6.275   0.553   6.612
  111    HA   ARG  13           HA       ARG  13  -3.679  -0.361   5.921
  112   1HB   ARG  13          2HB       ARG  13  -5.032   0.584   8.269
  113   2HB   ARG  13          1HB       ARG  13  -4.172  -0.896   8.665
  114   1HG   ARG  13          2HG       ARG  13  -2.648   0.809   9.118
  115   2HG   ARG  13          1HG       ARG  13  -2.148   0.180   7.547
  116   1HD   ARG  13          2HD       ARG  13  -2.262   2.262   6.774
  117   2HD   ARG  13          1HD       ARG  13  -4.011   2.166   6.967
  118    HE   ARG  13           HE       ARG  13  -2.505   2.953   9.319
  119   1HH1  ARG  13          1HH1      ARG  13  -4.362   3.952   6.546
  120   2HH1  ARG  13          2HH1      ARG  13  -4.731   5.514   7.195
  121   1HH2  ARG  13          1HH2      ARG  13  -2.985   5.007  10.182
  122   2HH2  ARG  13          2HH2      ARG  13  -3.949   6.114   9.262
  123    H    SER  14           H        SER  14  -6.640  -1.900   6.358
  124    HA   SER  14           HA       SER  14  -6.545  -4.228   7.500
  125   1HB   SER  14          2HB       SER  14  -7.274  -3.822   4.605
  126   2HB   SER  14          1HB       SER  14  -7.652  -5.288   5.510
  127    HG   SER  14           HG       SER  14  -9.071  -4.196   6.727
  128    H    ARG  15           H        ARG  15  -5.636  -4.630   4.155
  129    HA   ARG  15           HA       ARG  15  -2.983  -5.459   4.541
  130   1HB   ARG  15          2HB       ARG  15  -3.181  -7.878   4.441
  131   2HB   ARG  15          1HB       ARG  15  -4.056  -7.278   5.844
  132   1HG   ARG  15          2HG       ARG  15  -6.157  -7.534   4.720
  133   2HG   ARG  15          1HG       ARG  15  -5.344  -7.955   3.211
  134   1HD   ARG  15          2HD       ARG  15  -4.423  -9.961   4.290
  135   2HD   ARG  15          1HD       ARG  15  -5.279  -9.543   5.774
  136    HE   ARG  15           HE       ARG  15  -7.197  -9.634   3.799
  137   1HH1  ARG  15          1HH1      ARG  15  -4.873 -11.839   5.167
  138   2HH1  ARG  15          2HH1      ARG  15  -5.845 -13.244   4.884
  139   1HH2  ARG  15          1HH2      ARG  15  -8.486 -11.481   3.424
  140   2HH2  ARG  15          2HH2      ARG  15  -7.897 -13.041   3.896
  141    H    SER  16           H        SER  16  -4.599  -4.020   2.727
  142    HA   SER  16           HA       SER  16  -3.535  -4.989   0.263
  143   1HB   SER  16          2HB       SER  16  -6.542  -4.979   0.277
  144   2HB   SER  16          1HB       SER  16  -5.443  -5.756  -0.860
  145    HG   SER  16           HG       SER  16  -5.008  -7.325   0.638
  146    H    ASN  17           H        ASN  17  -3.154  -2.597   1.447
  147    HA   ASN  17           HA       ASN  17  -4.108  -0.774  -0.529
  148   1HB   ASN  17          2HB       ASN  17  -5.680  -1.132   1.820
  149   2HB   ASN  17          1HB       ASN  17  -4.940   0.462   1.890
  150   1HD2  ASN  17          1HD2      ASN  17  -6.848  -1.679  -0.157
  151   2HD2  ASN  17          2HD2      ASN  17  -7.689  -0.424  -0.994
  152    H    CYS  18           H        CYS  18  -2.977   1.161  -0.546
  153    HA   CYS  18           HA       CYS  18  -0.821   1.402   1.453
  154   1HB   CYS  18          2HB       CYS  18  -0.336   2.807  -1.057
  155   2HB   CYS  18          1HB       CYS  18   0.699   1.698  -0.182
  156    HA   PRO  19           HA       PRO  19  -2.596   5.332   2.414
  157   1HB   PRO  19          2HB       PRO  19  -0.434   6.584   3.496
  158   2HB   PRO  19          1HB       PRO  19  -1.332   5.316   4.332
  159   1HG   PRO  19          2HG       PRO  19   1.247   5.151   2.847
  160   2HG   PRO  19          1HG       PRO  19   0.774   4.367   4.363
  161   1HD   PRO  19          2HD       PRO  19   0.790   3.095   1.950
  162   2HD   PRO  19          1HD       PRO  19  -0.291   2.651   3.285
  163    H    LYS  20           H        LYS  20  -1.118   7.787   2.371
  164    HA   LYS  20           HA       LYS  20  -1.147   8.281  -0.488
  165   1HB   LYS  20          2HB       LYS  20  -0.914  10.652   0.175
  166   2HB   LYS  20          1HB       LYS  20  -2.274   9.867   0.972
  167   1HG   LYS  20          2HG       LYS  20  -1.036   9.648   3.005
  168   2HG   LYS  20          1HG       LYS  20   0.433  10.235   2.224
  169   1HD   LYS  20          2HD       LYS  20  -0.834  12.377   1.751
  170   2HD   LYS  20          1HD       LYS  20  -2.082  11.774   2.843
  171   1HE   LYS  20          2HE       LYS  20   0.090  11.415   4.384
  172   2HE   LYS  20          1HE       LYS  20   0.629  12.793   3.426
  173   1HZ   LYS  20          1HZ       LYS  20  -0.533  13.375   5.531
  174   2HZ   LYS  20          2HZ       LYS  20  -1.954  12.724   4.883
  175   3HZ   LYS  20          3HZ       LYS  20  -1.226  14.062   4.148
  176    H    GLY  21           H        GLY  21   0.608   8.810  -1.725
  177   1HA   GLY  21          2HA       GLY  21   2.832   8.715  -2.348
  178   2HA   GLY  21          1HA       GLY  21   3.055   9.793  -0.975
  179    H    LYS  22           H        LYS  22   2.328   6.346  -1.425
  180    HA   LYS  22           HA       LYS  22   4.352   5.733   0.610
  181   1HB   LYS  22          2HB       LYS  22   2.982   3.482   0.569
  182   2HB   LYS  22          1HB       LYS  22   2.408   4.876   1.461
  183   1HG   LYS  22          2HG       LYS  22   0.632   3.806   0.167
  184   2HG   LYS  22          1HG       LYS  22   0.916   5.472  -0.318
  185   1HD   LYS  22          2HD       LYS  22   0.571   3.907  -2.229
  186   2HD   LYS  22          1HD       LYS  22   2.093   4.785  -2.284
  187   1HE   LYS  22          2HE       LYS  22   2.910   2.591  -0.992
  188   2HE   LYS  22          1HE       LYS  22   1.578   1.899  -1.903
  189   1HZ   LYS  22          1HZ       LYS  22   2.552   2.717  -3.932
  190   2HZ   LYS  22          2HZ       LYS  22   3.677   1.766  -3.104
  191   3HZ   LYS  22          3HZ       LYS  22   3.814   3.450  -3.079
  192    H    VAL  23           H        VAL  23   4.675   3.078   0.179
  193    HA   VAL  23           HA       VAL  23   5.315   2.466  -2.530
  194    HB   VAL  23           HB       VAL  23   7.787   2.029  -1.506
  195   1HG1  VAL  23          1HG1      VAL  23   6.841   3.200  -3.650
  196   2HG1  VAL  23          2HG1      VAL  23   8.499   3.493  -3.125
  197   3HG1  VAL  23          3HG1      VAL  23   7.236   4.669  -2.758
  198   1HG2  VAL  23          1HG2      VAL  23   7.041   3.394   0.514
  199   2HG2  VAL  23          2HG2      VAL  23   7.114   4.792  -0.558
  200   3HG2  VAL  23          3HG2      VAL  23   8.568   3.845  -0.244
  201    H    TRP  24           H        TRP  24   4.791   0.354  -2.639
  202    HA   TRP  24           HA       TRP  24   4.528  -1.248  -0.339
  203   1HB   TRP  24          2HB       TRP  24   3.080  -1.848  -2.034
  204   2HB   TRP  24          1HB       TRP  24   4.304  -1.657  -3.262
  205    HD1  TRP  24           HD       TRP  24   5.889  -3.773  -3.763
  206    HE1  TRP  24           1HE      TRP  24   5.553  -6.280  -3.318
  207    HE3  TRP  24           3HE      TRP  24   2.208  -3.448  -0.288
  208    HZ2  TRP  24           2HZ      TRP  24   3.925  -7.910  -1.689
  209    HZ3  TRP  24           3HZ      TRP  24   1.333  -5.529   0.696
  210    HH2  TRP  24           HH       TRP  24   2.159  -7.708   0.005
  211    H    ASN  25           H        ASN  25   5.489  -3.408  -0.221
  212    HA   ASN  25           HA       ASN  25   8.270  -3.592  -1.078
  213   1HB   ASN  25          2HB       ASN  25   8.025  -2.402   1.221
  214   2HB   ASN  25          1HB       ASN  25   7.624  -4.004   1.830
  215   1HD2  ASN  25          1HD2      ASN  25   9.370  -4.455   3.019
  216   2HD2  ASN  25          2HD2      ASN  25  10.984  -4.536   2.409
  217    H    GLY  26           H        GLY  26   9.147  -5.769   0.047
  218   1HA   GLY  26          2HA       GLY  26   8.288  -7.919  -1.171
  219   2HA   GLY  26          1HA       GLY  26   8.786  -8.026   0.505
  220    H    PHE  27           H        PHE  27   6.419  -6.588   1.574
  221    HA   PHE  27           HA       PHE  27   4.121  -8.010   0.678
  222   1HB   PHE  27          2HB       PHE  27   5.799  -9.319   2.537
  223   2HB   PHE  27          1HB       PHE  27   4.358  -8.816   3.410
  224    HD1  PHE  27           1HD      PHE  27   4.209  -9.621  -0.164
  225    HD2  PHE  27           2HD      PHE  27   3.657 -11.088   3.794
  226    HE1  PHE  27           1HE      PHE  27   2.996 -11.560  -1.058
  227    HE2  PHE  27           2HE      PHE  27   2.441 -13.032   2.904
  228    HZ   PHE  27           HZ       PHE  27   2.110 -13.270   0.475
  229    H    ASP  28           H        ASP  28   4.478  -5.274   0.988
  230    HA   ASP  28           HA       ASP  28   2.291  -4.638   2.713
  231   1HB   ASP  28          2HB       ASP  28   5.063  -4.105   3.688
  232   2HB   ASP  28          1HB       ASP  28   3.754  -3.006   4.113
  233    H    CYS  29           H        CYS  29   1.542  -2.505   2.460
  234    HA   CYS  29           HA       CYS  29   2.888  -1.014   0.306
  235   1HB   CYS  29          2HB       CYS  29   0.232  -1.933   0.529
  236   2HB   CYS  29          1HB       CYS  29   0.177  -0.183   0.723
  237    H    LYS  30           H        LYS  30   4.133   0.454   1.416
  238    HA   LYS  30           HA       LYS  30   2.785   2.623   2.690
  239   1HB   LYS  30          2HB       LYS  30   3.665   0.458   4.297
  240   2HB   LYS  30          1HB       LYS  30   4.681   1.845   4.652
  241   1HG   LYS  30          2HG       LYS  30   3.062   2.420   6.054
  242   2HG   LYS  30          1HG       LYS  30   2.244   2.996   4.605
  243   1HD   LYS  30          2HD       LYS  30   0.934   1.500   6.236
  244   2HD   LYS  30          1HD       LYS  30   0.836   1.145   4.517
  245   1HE   LYS  30          2HE       LYS  30   1.844  -0.849   4.752
  246   2HE   LYS  30          1HE       LYS  30   3.034  -0.215   5.889
  247   1HZ   LYS  30          1HZ       LYS  30   0.232  -0.938   6.561
  248   2HZ   LYS  30          2HZ       LYS  30   1.389  -0.353   7.647
  249   3HZ   LYS  30          3HZ       LYS  30   1.599  -1.867   6.921
  250    H    SER  31           H        SER  31   4.040   4.476   2.861
  251    HA   SER  31           HA       SER  31   6.080   4.939   1.125
  252   1HB   SER  31          2HB       SER  31   4.811   6.430   3.070
  253   2HB   SER  31          1HB       SER  31   6.484   6.411   3.626
  254    HG   SER  31           HG       SER  31   5.811   8.122   2.078
  255    HA   PRO  32           HA       PRO  32   9.874   3.261   2.553
  256   1HB   PRO  32          2HB       PRO  32  11.225   5.864   2.760
  257   2HB   PRO  32          1HB       PRO  32  11.553   4.516   1.668
  258   1HG   PRO  32          2HG       PRO  32  10.445   6.817   0.809
  259   2HG   PRO  32          1HG       PRO  32  10.039   5.246   0.094
  260   1HD   PRO  32          2HD       PRO  32   8.492   6.897   2.052
  261   2HD   PRO  32          1HD       PRO  32   7.908   5.938   0.676
  262    H    PHE  33           H        PHE  33   8.359   5.645   4.430
  263    HA   PHE  33           HA       PHE  33  10.113   5.746   6.639
  264   1HB   PHE  33          2HB       PHE  33   7.163   5.961   7.016
  265   2HB   PHE  33          1HB       PHE  33   8.454   6.944   7.698
  266    HD1  PHE  33           1HD      PHE  33   5.748   7.585   6.120
  267    HD2  PHE  33           2HD      PHE  33   9.896   7.648   5.173
  268    HE1  PHE  33           1HE      PHE  33   5.328   9.302   4.411
  269    HE2  PHE  33           2HE      PHE  33   9.484   9.367   3.463
  270    HZ   PHE  33           HZ       PHE  33   7.197  10.197   3.079
  271    H    ALA  34           H        ALA  34   8.049   3.319   5.445
  272    HA   ALA  34           HA       ALA  34   8.289   1.822   7.970
  273   1HB   ALA  34          1HB       ALA  34   5.950   2.566   7.234
  274   2HB   ALA  34          2HB       ALA  34   6.174   0.872   7.674
  275   3HB   ALA  34          3HB       ALA  34   6.104   1.341   5.975
  276    H    PHE  35           H        PHE  35  10.309   1.762   6.088
  277    HA   PHE  35           HA       PHE  35  10.485  -1.038   5.572
  278   1HB   PHE  35          2HB       PHE  35  10.164   0.836   3.223
  279   2HB   PHE  35          1HB       PHE  35  10.847  -0.780   3.083
  280    HD1  PHE  35           1HD      PHE  35   9.273  -2.585   4.427
  281    HD2  PHE  35           2HD      PHE  35   7.994   1.008   2.542
  282    HE1  PHE  35           1HE      PHE  35   7.009  -3.519   4.192
  283    HE2  PHE  35           2HE      PHE  35   5.728   0.078   2.304
  284    HZ   PHE  35           HZ       PHE  35   5.233  -2.181   3.129
  285    H    SER  36           H        SER  36  11.978   0.892   7.020
  286    HA   SER  36           HA       SER  36  14.527   0.789   5.548
  287   1HB   SER  36          2HB       SER  36  15.199   2.878   6.502
  288   2HB   SER  36          1HB       SER  36  13.577   3.116   5.853
  289    HG   SER  36           HG       SER  36  12.751   2.985   7.920
  Start of MODEL    3
    1   1H    GLU   1          1HT       GLU   1  -5.258  -6.608 -10.581
    2   2H    GLU   1          2HT       GLU   1  -6.910  -6.143 -10.528
    3   3H    GLU   1          3HT       GLU   1  -6.434  -7.697  -9.975
    4    HA   GLU   1           HA       GLU   1  -5.705  -5.106  -8.784
    5   1HB   GLU   1          2HB       GLU   1  -7.997  -5.600  -8.344
    6   2HB   GLU   1          1HB       GLU   1  -7.645  -7.297  -8.047
    7   1HG   GLU   1          2HG       GLU   1  -8.106  -5.715  -6.057
    8   2HG   GLU   1          1HG       GLU   1  -6.803  -6.898  -5.945
    9    H    LEU   2           H        LEU   2  -3.500  -6.185  -9.273
   10    HA   LEU   2           HA       LEU   2  -2.819  -8.051  -7.104
   11   1HB   LEU   2          2HB       LEU   2  -0.710  -7.773  -9.022
   12   2HB   LEU   2          1HB       LEU   2  -1.591  -9.210  -8.543
   13    HG   LEU   2           HG       LEU   2  -2.758  -7.302 -10.542
   14   1HD1  LEU   2          1HD1      LEU   2  -0.714  -7.741 -11.574
   15   2HD1  LEU   2          2HD1      LEU   2  -1.807  -8.947 -12.253
   16   3HD1  LEU   2          3HD1      LEU   2  -0.668  -9.403 -10.986
   17   1HD2  LEU   2          1HD2      LEU   2  -3.997  -9.252  -9.357
   18   2HD2  LEU   2          2HD2      LEU   2  -3.076 -10.273 -10.461
   19   3HD2  LEU   2          3HD2      LEU   2  -4.169  -9.046 -11.100
   20    HA   PRO   3           HA       PRO   3   0.510  -4.737  -6.724
   21   1HB   PRO   3          2HB       PRO   3   1.081  -3.054  -8.699
   22   2HB   PRO   3          1HB       PRO   3   1.557  -4.753  -8.799
   23   1HG   PRO   3          2HG       PRO   3  -0.685  -3.330 -10.151
   24   2HG   PRO   3          1HG       PRO   3   0.345  -4.637 -10.757
   25   1HD   PRO   3          2HD       PRO   3  -2.233  -4.912  -9.670
   26   2HD   PRO   3          1HD       PRO   3  -1.077  -6.221  -9.977
   27    H    LYS   4           H        LYS   4  -1.281  -4.014  -5.309
   28    HA   LYS   4           HA       LYS   4  -3.049  -1.955  -5.919
   29   1HB   LYS   4          2HB       LYS   4  -3.203  -1.599  -3.478
   30   2HB   LYS   4          1HB       LYS   4  -3.320  -3.296  -3.930
   31   1HG   LYS   4          2HG       LYS   4  -0.590  -2.502  -3.382
   32   2HG   LYS   4          1HG       LYS   4  -1.664  -2.215  -2.010
   33   1HD   LYS   4          2HD       LYS   4  -1.372  -4.375  -1.532
   34   2HD   LYS   4          1HD       LYS   4  -2.443  -4.696  -2.896
   35   1HE   LYS   4          2HE       LYS   4  -0.776  -5.494  -4.167
   36   2HE   LYS   4          1HE       LYS   4   0.343  -4.230  -3.654
   37   1HZ   LYS   4          1HZ       LYS   4   1.310  -6.064  -2.735
   38   2HZ   LYS   4          2HZ       LYS   4  -0.155  -6.865  -2.469
   39   3HZ   LYS   4          3HZ       LYS   4   0.315  -5.602  -1.447
   40    H    LEU   5           H        LEU   5  -2.997   0.210  -5.816
   41    HA   LEU   5           HA       LEU   5  -0.717   1.642  -4.781
   42   1HB   LEU   5          2HB       LEU   5  -1.409   1.721  -7.716
   43   2HB   LEU   5          1HB       LEU   5  -0.308   2.831  -6.920
   44    HG   LEU   5           HG       LEU   5   0.102  -0.151  -7.083
   45   1HD1  LEU   5          1HD1      LEU   5   1.244   2.100  -8.722
   46   2HD1  LEU   5          2HD1      LEU   5   0.267   0.746  -9.289
   47   3HD1  LEU   5          3HD1      LEU   5   1.901   0.464  -8.690
   48   1HD2  LEU   5          1HD2      LEU   5   1.628   0.181  -5.512
   49   2HD2  LEU   5          2HD2      LEU   5   1.288   1.911  -5.498
   50   3HD2  LEU   5          3HD2      LEU   5   2.487   1.257  -6.613
   51    HA   PRO   6           HA       PRO   6  -4.748   4.024  -5.064
   52   1HB   PRO   6          2HB       PRO   6  -6.269   3.166  -3.112
   53   2HB   PRO   6          1HB       PRO   6  -6.058   2.146  -4.545
   54   1HG   PRO   6          2HG       PRO   6  -4.716   1.943  -1.869
   55   2HG   PRO   6          1HG       PRO   6  -5.433   0.656  -2.859
   56   1HD   PRO   6          2HD       PRO   6  -2.734   1.324  -2.822
   57   2HD   PRO   6          1HD       PRO   6  -3.557   0.429  -4.110
   58    H    ASP   7           H        ASP   7  -5.803   5.431  -3.274
   59    HA   ASP   7           HA       ASP   7  -4.590   5.906  -0.820
   60   1HB   ASP   7          2HB       ASP   7  -3.396   8.088  -1.449
   61   2HB   ASP   7          1HB       ASP   7  -2.571   6.579  -1.827
   62    H    ASP   8           H        ASP   8  -6.006   7.059   0.323
   63    HA   ASP   8           HA       ASP   8  -7.275   9.408  -0.577
   64   1HB   ASP   8          2HB       ASP   8  -9.541   8.675  -0.898
   65   2HB   ASP   8          1HB       ASP   8  -8.512   7.719  -1.960
   66    H    LYS   9           H        LYS   9  -5.919   9.023   1.669
   67    HA   LYS   9           HA       LYS   9  -5.978   8.822   3.969
   68   1HB   LYS   9          2HB       LYS   9  -8.418  10.540   3.786
   69   2HB   LYS   9          1HB       LYS   9  -7.037  10.679   4.866
   70   1HG   LYS   9          2HG       LYS   9  -6.093  12.150   3.514
   71   2HG   LYS   9          1HG       LYS   9  -6.143  10.999   2.177
   72   1HD   LYS   9          2HD       LYS   9  -8.675  11.731   2.094
   73   2HD   LYS   9          1HD       LYS   9  -8.050  13.175   2.893
   74   1HE   LYS   9          2HE       LYS   9  -6.754  13.778   1.078
   75   2HE   LYS   9          1HE       LYS   9  -6.687  12.133   0.448
   76   1HZ   LYS   9          1HZ       LYS   9  -9.285  13.488   0.548
   77   2HZ   LYS   9          2HZ       LYS   9  -8.716  12.333  -0.548
   78   3HZ   LYS   9          3HZ       LYS   9  -8.192  13.938  -0.662
   79    H    VAL  10           H        VAL  10  -7.395   6.684   2.726
   80    HA   VAL  10           HA       VAL  10  -9.108   5.931   4.943
   81    HB   VAL  10           HB       VAL  10 -10.094   6.270   2.132
   82   1HG1  VAL  10          1HG1      VAL  10 -12.092   4.873   2.840
   83   2HG1  VAL  10          2HG1      VAL  10 -11.071   4.251   4.136
   84   3HG1  VAL  10          3HG1      VAL  10 -10.614   3.993   2.453
   85   1HG2  VAL  10          1HG2      VAL  10 -10.616   8.045   3.648
   86   2HG2  VAL  10          2HG2      VAL  10 -11.206   6.906   4.858
   87   3HG2  VAL  10          3HG2      VAL  10 -12.092   7.129   3.351
   88    H    LEU  11           H        LEU  11  -8.535   4.755   1.643
   89    HA   LEU  11           HA       LEU  11  -8.105   2.627   0.898
   90   1HB   LEU  11          2HB       LEU  11  -5.784   1.893   2.009
   91   2HB   LEU  11          1HB       LEU  11  -5.913   3.103   0.752
   92    HG   LEU  11           HG       LEU  11  -6.134   4.258   3.418
   93   1HD1  LEU  11          1HD1      LEU  11  -4.679   2.659   4.252
   94   2HD1  LEU  11          2HD1      LEU  11  -3.606   3.969   3.759
   95   3HD1  LEU  11          3HD1      LEU  11  -3.786   2.544   2.737
   96   1HD2  LEU  11          1HD2      LEU  11  -5.761   5.457   1.262
   97   2HD2  LEU  11          2HD2      LEU  11  -4.152   4.735   1.206
   98   3HD2  LEU  11          3HD2      LEU  11  -4.580   5.833   2.518
   99    H    ILE  12           H        ILE  12  -6.869   0.428   1.893
  100    HA   ILE  12           HA       ILE  12  -8.433  -0.333   4.254
  101    HB   ILE  12           HB       ILE  12  -8.366  -2.681   3.016
  102   1HG1  ILE  12          2HG1      ILE  12  -9.228  -1.384   0.599
  103   2HG1  ILE  12          1HG1      ILE  12  -7.562  -0.953   0.960
  104   1HG2  ILE  12          1HG2      ILE  12 -10.484  -2.317   3.549
  105   2HG2  ILE  12          2HG2      ILE  12 -10.666  -1.616   1.940
  106   3HG2  ILE  12          3HG2      ILE  12 -10.318  -0.576   3.322
  107   1HD1  ILE  12          1HD1      ILE  12  -8.269  -3.147  -0.399
  108   2HD1  ILE  12          2HD1      ILE  12  -8.223  -3.799   1.239
  109   3HD1  ILE  12          3HD1      ILE  12  -6.794  -3.021   0.559
  110    H    ARG  13           H        ARG  13  -6.877  -0.585   5.749
  111    HA   ARG  13           HA       ARG  13  -4.232  -1.340   5.306
  112   1HB   ARG  13          2HB       ARG  13  -6.006  -1.034   7.597
  113   2HB   ARG  13          1HB       ARG  13  -4.853  -2.340   7.828
  114   1HG   ARG  13          2HG       ARG  13  -3.038  -0.725   7.223
  115   2HG   ARG  13          1HG       ARG  13  -4.257   0.551   7.260
  116   1HD   ARG  13          2HD       ARG  13  -4.627   0.291   9.557
  117   2HD   ARG  13          1HD       ARG  13  -3.850  -1.292   9.591
  118    HE   ARG  13           HE       ARG  13  -1.876   0.438   8.825
  119   1HH1  ARG  13          1HH1      ARG  13  -4.047   0.202  11.537
  120   2HH1  ARG  13          2HH1      ARG  13  -2.948   0.948  12.648
  121   1HH2  ARG  13          1HH2      ARG  13  -0.421   1.421  10.278
  122   2HH2  ARG  13          2HH2      ARG  13  -0.886   1.642  11.932
  123    H    SER  14           H        SER  14  -7.112  -3.152   5.231
  124    HA   SER  14           HA       SER  14  -6.851  -5.632   5.972
  125   1HB   SER  14          2HB       SER  14  -7.815  -4.472   3.453
  126   2HB   SER  14          1HB       SER  14  -7.447  -6.194   3.372
  127    HG   SER  14           HG       SER  14  -9.586  -5.033   4.408
  128    H    ARG  15           H        ARG  15  -5.736  -5.314   2.676
  129    HA   ARG  15           HA       ARG  15  -3.044  -5.938   3.079
  130   1HB   ARG  15          2HB       ARG  15  -3.173  -8.361   2.250
  131   2HB   ARG  15          1HB       ARG  15  -3.584  -8.062   3.934
  132   1HG   ARG  15          2HG       ARG  15  -5.448  -9.199   3.543
  133   2HG   ARG  15          1HG       ARG  15  -5.996  -7.794   2.627
  134   1HD   ARG  15          2HD       ARG  15  -4.677  -8.887   0.673
  135   2HD   ARG  15          1HD       ARG  15  -4.812 -10.357   1.639
  136    HE   ARG  15           HE       ARG  15  -7.290  -8.928   1.177
  137   1HH1  ARG  15          1HH1      ARG  15  -5.142 -11.468   0.151
  138   2HH1  ARG  15          2HH1      ARG  15  -6.363 -12.320  -0.735
  139   1HH2  ARG  15          1HH2      ARG  15  -8.906 -10.040   0.015
  140   2HH2  ARG  15          2HH2      ARG  15  -8.505 -11.509  -0.811
  141    H    SER  16           H        SER  16  -4.743  -4.369   1.441
  142    HA   SER  16           HA       SER  16  -3.482  -4.906  -1.084
  143   1HB   SER  16          2HB       SER  16  -6.099  -4.687  -1.991
  144   2HB   SER  16          1HB       SER  16  -5.118  -6.152  -1.976
  145    HG   SER  16           HG       SER  16  -7.204  -6.308  -0.902
  146    H    ASN  17           H        ASN  17  -3.230  -2.704   0.547
  147    HA   ASN  17           HA       ASN  17  -4.048  -0.645  -1.281
  148   1HB   ASN  17          2HB       ASN  17  -5.639  -1.162   1.037
  149   2HB   ASN  17          1HB       ASN  17  -4.861   0.407   1.212
  150   1HD2  ASN  17          1HD2      ASN  17  -6.248  -1.429  -1.489
  151   2HD2  ASN  17          2HD2      ASN  17  -7.265  -0.155  -2.059
  152    H    CYS  18           H        CYS  18  -2.990   1.327  -0.984
  153    HA   CYS  18           HA       CYS  18  -0.789   1.317   0.971
  154   1HB   CYS  18          2HB       CYS  18  -0.264   2.693  -1.579
  155   2HB   CYS  18          1HB       CYS  18   0.792   1.667  -0.641
  156    HA   PRO  19           HA       PRO  19  -2.636   5.145   2.261
  157   1HB   PRO  19          2HB       PRO  19   0.144   5.739   3.136
  158   2HB   PRO  19          1HB       PRO  19  -1.364   5.799   4.057
  159   1HG   PRO  19          2HG       PRO  19   0.360   3.804   4.413
  160   2HG   PRO  19          1HG       PRO  19  -1.389   3.510   4.420
  161   1HD   PRO  19          2HD       PRO  19   0.616   2.954   2.277
  162   2HD   PRO  19          1HD       PRO  19  -0.796   2.003   2.775
  163    H    LYS  20           H        LYS  20  -1.715   7.574   2.286
  164    HA   LYS  20           HA       LYS  20  -1.478   8.345  -0.427
  165   1HB   LYS  20          2HB       LYS  20  -1.077  10.619   0.531
  166   2HB   LYS  20          1HB       LYS  20  -2.511   9.826   1.177
  167   1HG   LYS  20          2HG       LYS  20  -1.425   9.307   3.209
  168   2HG   LYS  20          1HG       LYS  20   0.152   9.756   2.558
  169   1HD   LYS  20          2HD       LYS  20  -0.539  12.081   2.422
  170   2HD   LYS  20          1HD       LYS  20  -2.157  11.654   2.987
  171   1HE   LYS  20          2HE       LYS  20  -0.827  10.636   5.011
  172   2HE   LYS  20          1HE       LYS  20   0.416  11.772   4.489
  173   1HZ   LYS  20          1HZ       LYS  20  -1.985  12.275   5.917
  174   2HZ   LYS  20          2HZ       LYS  20  -1.934  13.201   4.505
  175   3HZ   LYS  20          3HZ       LYS  20  -0.675  13.307   5.629
  176    H    GLY  21           H        GLY  21   0.304   9.171  -1.567
  177   1HA   GLY  21          2HA       GLY  21   2.526   8.822  -2.245
  178   2HA   GLY  21          1HA       GLY  21   2.761   9.938  -0.907
  179    H    LYS  22           H        LYS  22   2.468   6.476  -1.650
  180    HA   LYS  22           HA       LYS  22   4.448   5.978   0.446
  181   1HB   LYS  22          2HB       LYS  22   3.223   4.207   1.365
  182   2HB   LYS  22          1HB       LYS  22   2.049   5.475   1.137
  183   1HG   LYS  22          2HG       LYS  22   2.443   3.037  -0.566
  184   2HG   LYS  22          1HG       LYS  22   1.086   3.393   0.503
  185   1HD   LYS  22          2HD       LYS  22   0.108   4.215  -1.333
  186   2HD   LYS  22          1HD       LYS  22   1.134   5.600  -1.063
  187   1HE   LYS  22          2HE       LYS  22   1.081   4.450  -3.402
  188   2HE   LYS  22          1HE       LYS  22   2.603   5.022  -2.732
  189   1HZ   LYS  22          1HZ       LYS  22   1.712   2.248  -2.289
  190   2HZ   LYS  22          2HZ       LYS  22   3.274   2.884  -2.216
  191   3HZ   LYS  22          3HZ       LYS  22   2.517   2.679  -3.712
  192    H    VAL  23           H        VAL  23   4.608   3.230   0.147
  193    HA   VAL  23           HA       VAL  23   5.031   2.515  -2.589
  194    HB   VAL  23           HB       VAL  23   7.599   2.110  -1.568
  195   1HG1  VAL  23          1HG1      VAL  23   6.454   4.001  -3.602
  196   2HG1  VAL  23          2HG1      VAL  23   7.168   2.411  -3.878
  197   3HG1  VAL  23          3HG1      VAL  23   8.188   3.761  -3.376
  198   1HG2  VAL  23          1HG2      VAL  23   6.936   5.026  -1.315
  199   2HG2  VAL  23          2HG2      VAL  23   8.413   4.188  -0.839
  200   3HG2  VAL  23          3HG2      VAL  23   6.924   3.938   0.072
  201    H    TRP  24           H        TRP  24   4.706   0.373  -2.724
  202    HA   TRP  24           HA       TRP  24   4.501  -1.215  -0.405
  203   1HB   TRP  24          2HB       TRP  24   3.107  -1.872  -2.133
  204   2HB   TRP  24          1HB       TRP  24   4.374  -1.720  -3.314
  205    HD1  TRP  24           HD       TRP  24   5.940  -3.840  -3.720
  206    HE1  TRP  24           1HE      TRP  24   5.663  -6.321  -3.118
  207    HE3  TRP  24           3HE      TRP  24   2.296  -3.383  -0.205
  208    HZ2  TRP  24           2HZ      TRP  24   4.092  -7.881  -1.376
  209    HZ3  TRP  24           3HZ      TRP  24   1.479  -5.422   0.904
  210    HH2  TRP  24           HH       TRP  24   2.345  -7.618   0.328
  211    H    ASN  25           H        ASN  25   5.556  -3.290  -0.191
  212    HA   ASN  25           HA       ASN  25   8.308  -3.446  -1.120
  213   1HB   ASN  25          2HB       ASN  25   8.074  -2.121   1.135
  214   2HB   ASN  25          1HB       ASN  25   7.865  -3.725   1.830
  215   1HD2  ASN  25          1HD2      ASN  25   9.640  -4.680   2.487
  216   2HD2  ASN  25          2HD2      ASN  25  11.241  -4.370   1.916
  217    H    GLY  26           H        GLY  26   9.278  -5.510   0.166
  218   1HA   GLY  26          2HA       GLY  26   8.472  -7.762  -0.886
  219   2HA   GLY  26          1HA       GLY  26   8.974  -7.742   0.791
  220    H    PHE  27           H        PHE  27   6.579  -6.309   1.778
  221    HA   PHE  27           HA       PHE  27   4.317  -7.852   0.983
  222   1HB   PHE  27          2HB       PHE  27   6.005  -8.812   3.146
  223   2HB   PHE  27          1HB       PHE  27   4.340  -8.562   3.658
  224    HD1  PHE  27           1HD      PHE  27   6.609 -10.721   1.972
  225    HD2  PHE  27           2HD      PHE  27   2.498  -9.662   2.275
  226    HE1  PHE  27           1HE      PHE  27   5.984 -12.877   0.965
  227    HE2  PHE  27           2HE      PHE  27   1.866 -11.819   1.268
  228    HZ   PHE  27           HZ       PHE  27   3.610 -13.429   0.613
  229    H    ASP  28           H        ASP  28   4.650  -5.068   1.145
  230    HA   ASP  28           HA       ASP  28   2.415  -4.395   2.798
  231   1HB   ASP  28          2HB       ASP  28   5.153  -3.757   3.801
  232   2HB   ASP  28          1HB       ASP  28   3.804  -2.681   4.154
  233    H    CYS  29           H        CYS  29   1.466  -2.562   2.149
  234    HA   CYS  29           HA       CYS  29   2.851  -0.945   0.130
  235   1HB   CYS  29          2HB       CYS  29   0.201  -1.963   0.375
  236   2HB   CYS  29          1HB       CYS  29   0.122  -0.206   0.415
  237    H    LYS  30           H        LYS  30   4.039   0.512   1.379
  238    HA   LYS  30           HA       LYS  30   2.539   2.668   2.535
  239   1HB   LYS  30          2HB       LYS  30   4.468   1.624   4.526
  240   2HB   LYS  30          1HB       LYS  30   2.976   2.517   4.764
  241   1HG   LYS  30          2HG       LYS  30   2.876  -0.302   3.826
  242   2HG   LYS  30          1HG       LYS  30   3.173   0.060   5.522
  243   1HD   LYS  30          2HD       LYS  30   1.070   0.865   5.867
  244   2HD   LYS  30          1HD       LYS  30   0.910   1.458   4.212
  245   1HE   LYS  30          2HE       LYS  30  -0.497  -0.308   4.043
  246   2HE   LYS  30          1HE       LYS  30   1.008  -1.165   3.711
  247   1HZ   LYS  30          1HZ       LYS  30  -0.441  -2.260   5.377
  248   2HZ   LYS  30          2HZ       LYS  30  -0.206  -0.942   6.412
  249   3HZ   LYS  30          3HZ       LYS  30   1.108  -1.906   5.960
  250    H    SER  31           H        SER  31   3.942   4.335   3.462
  251    HA   SER  31           HA       SER  31   5.701   5.306   1.644
  252   1HB   SER  31          2HB       SER  31   4.726   6.243   3.992
  253   2HB   SER  31          1HB       SER  31   6.414   5.985   4.436
  254    HG   SER  31           HG       SER  31   5.591   7.424   2.135
  255    HA   PRO  32           HA       PRO  32   9.629   3.385   2.093
  256   1HB   PRO  32          2HB       PRO  32  11.128   5.861   2.086
  257   2HB   PRO  32          1HB       PRO  32  10.895   4.714   0.767
  258   1HG   PRO  32          2HG       PRO  32   9.825   7.226   0.783
  259   2HG   PRO  32          1HG       PRO  32   9.103   5.858  -0.083
  260   1HD   PRO  32          2HD       PRO  32   8.354   7.028   2.572
  261   2HD   PRO  32          1HD       PRO  32   7.305   6.454   1.257
  262    H    PHE  33           H        PHE  33   8.681   5.668   4.424
  263    HA   PHE  33           HA       PHE  33  10.937   5.621   6.126
  264   1HB   PHE  33          2HB       PHE  33   8.188   5.846   7.255
  265   2HB   PHE  33          1HB       PHE  33   9.630   6.786   7.622
  266    HD1  PHE  33           1HD      PHE  33   6.732   7.719   7.030
  267    HD2  PHE  33           2HD      PHE  33  10.256   7.419   4.663
  268    HE1  PHE  33           1HE      PHE  33   5.908   9.529   5.582
  269    HE2  PHE  33           2HE      PHE  33   9.438   9.230   3.211
  270    HZ   PHE  33           HZ       PHE  33   7.263  10.287   3.669
  271    H    ALA  34           H        ALA  34   8.203   3.543   5.633
  272    HA   ALA  34           HA       ALA  34   8.492   1.933   7.958
  273   1HB   ALA  34          1HB       ALA  34   6.807   0.595   7.046
  274   2HB   ALA  34          2HB       ALA  34   7.227   1.044   5.393
  275   3HB   ALA  34          3HB       ALA  34   6.447   2.218   6.453
  276    H    PHE  35           H        PHE  35   8.257  -0.553   6.422
  277    HA   PHE  35           HA       PHE  35  10.288  -2.053   6.767
  278   1HB   PHE  35          2HB       PHE  35  10.055  -2.345   3.950
  279   2HB   PHE  35          1HB       PHE  35   9.289  -3.311   5.207
  280    HD1  PHE  35           1HD      PHE  35   7.039  -2.565   6.092
  281    HD2  PHE  35           2HD      PHE  35   8.820  -0.903   2.605
  282    HE1  PHE  35           1HE      PHE  35   4.847  -1.702   5.386
  283    HE2  PHE  35           2HE      PHE  35   6.633  -0.038   1.892
  284    HZ   PHE  35           HZ       PHE  35   4.643  -0.436   3.285
  285    H    SER  36           H        SER  36  12.279  -1.114   7.134
  286    HA   SER  36           HA       SER  36  13.675  -0.058   4.763
  287   1HB   SER  36          2HB       SER  36  14.810   1.466   6.074
  288   2HB   SER  36          1HB       SER  36  13.288   1.370   6.959
  289    HG   SER  36           HG       SER  36  14.611  -0.504   8.024
  Start of MODEL    4
    1   1H    GLU   1          1HT       GLU   1  -2.535  -9.986  -3.197
    2   2H    GLU   1          2HT       GLU   1  -2.852 -10.416  -4.829
    3   3H    GLU   1          3HT       GLU   1  -3.977 -10.821  -3.598
    4    HA   GLU   1           HA       GLU   1  -4.865  -9.012  -4.691
    5   1HB   GLU   1          2HB       GLU   1  -3.449  -7.786  -2.335
    6   2HB   GLU   1          1HB       GLU   1  -5.094  -7.506  -2.891
    7   1HG   GLU   1          2HG       GLU   1  -4.119 -10.098  -1.718
    8   2HG   GLU   1          1HG       GLU   1  -4.940  -8.833  -0.805
    9    H    LEU   2           H        LEU   2  -4.383  -7.822  -6.411
   10    HA   LEU   2           HA       LEU   2  -1.729  -6.707  -6.723
   11   1HB   LEU   2          2HB       LEU   2  -4.117  -6.869  -8.541
   12   2HB   LEU   2          1HB       LEU   2  -2.669  -5.981  -8.972
   13    HG   LEU   2           HG       LEU   2  -1.849  -8.571  -8.165
   14   1HD1  LEU   2          1HD1      LEU   2  -4.103  -9.355  -8.545
   15   2HD1  LEU   2          2HD1      LEU   2  -3.040  -9.946  -9.823
   16   3HD1  LEU   2          3HD1      LEU   2  -4.129  -8.593 -10.136
   17   1HD2  LEU   2          1HD2      LEU   2  -2.050  -7.441 -10.949
   18   2HD2  LEU   2          2HD2      LEU   2  -0.921  -8.663 -10.361
   19   3HD2  LEU   2          3HD2      LEU   2  -0.794  -6.998  -9.794
   20    HA   PRO   3           HA       PRO   3  -4.794  -2.784  -6.888
   21   1HB   PRO   3          2HB       PRO   3  -6.375  -3.833  -4.587
   22   2HB   PRO   3          1HB       PRO   3  -6.888  -2.804  -5.929
   23   1HG   PRO   3          2HG       PRO   3  -7.528  -5.379  -5.892
   24   2HG   PRO   3          1HG       PRO   3  -7.048  -4.589  -7.407
   25   1HD   PRO   3          2HD       PRO   3  -5.503  -6.455  -5.668
   26   2HD   PRO   3          1HD       PRO   3  -5.487  -6.275  -7.435
   27    H    LYS   4           H        LYS   4  -2.545  -2.405  -6.065
   28    HA   LYS   4           HA       LYS   4  -2.635  -1.643  -3.231
   29   1HB   LYS   4          2HB       LYS   4  -1.031  -3.656  -4.292
   30   2HB   LYS   4          1HB       LYS   4   0.048  -2.275  -4.144
   31   1HG   LYS   4          2HG       LYS   4   0.315  -3.210  -2.086
   32   2HG   LYS   4          1HG       LYS   4  -1.031  -2.118  -1.749
   33   1HD   LYS   4          2HD       LYS   4  -2.289  -3.832  -1.138
   34   2HD   LYS   4          1HD       LYS   4  -2.094  -4.560  -2.734
   35   1HE   LYS   4          2HE       LYS   4  -0.011  -4.829  -0.595
   36   2HE   LYS   4          1HE       LYS   4  -1.380  -5.934  -0.699
   37   1HZ   LYS   4          1HZ       LYS   4  -0.131  -7.083  -2.115
   38   2HZ   LYS   4          2HZ       LYS   4   0.997  -5.834  -2.290
   39   3HZ   LYS   4          3HZ       LYS   4  -0.402  -5.848  -3.240
   40    H    LEU   5           H        LEU   5  -3.325   0.226  -5.014
   41    HA   LEU   5           HA       LEU   5  -1.055   2.046  -4.881
   42   1HB   LEU   5          2HB       LEU   5  -2.621   2.091  -7.409
   43   2HB   LEU   5          1HB       LEU   5  -0.971   2.599  -7.106
   44    HG   LEU   5           HG       LEU   5  -1.497  -0.305  -6.868
   45   1HD1  LEU   5          1HD1      LEU   5  -2.617  -0.379  -8.810
   46   2HD1  LEU   5          2HD1      LEU   5  -1.022  -0.147  -9.524
   47   3HD1  LEU   5          3HD1      LEU   5  -2.095   1.233  -9.295
   48   1HD2  LEU   5          1HD2      LEU   5   0.662  -0.075  -8.399
   49   2HD2  LEU   5          2HD2      LEU   5   0.730   0.091  -6.645
   50   3HD2  LEU   5          3HD2      LEU   5   0.690   1.529  -7.666
   51    HA   PRO   6           HA       PRO   6  -5.140   4.274  -4.343
   52   1HB   PRO   6          2HB       PRO   6  -6.360   3.416  -2.162
   53   2HB   PRO   6          1HB       PRO   6  -6.411   2.443  -3.638
   54   1HG   PRO   6          2HG       PRO   6  -4.872   2.005  -1.144
   55   2HG   PRO   6          1HG       PRO   6  -5.483   0.822  -2.310
   56   1HD   PRO   6          2HD       PRO   6  -2.837   1.959  -2.152
   57   2HD   PRO   6          1HD       PRO   6  -3.457   0.761  -3.293
   58    H    ASP   7           H        ASP   7  -5.947   5.704  -2.434
   59    HA   ASP   7           HA       ASP   7  -4.428   6.176  -0.153
   60   1HB   ASP   7          2HB       ASP   7  -3.430   8.447  -1.116
   61   2HB   ASP   7          1HB       ASP   7  -2.533   6.934  -1.202
   62    H    ASP   8           H        ASP   8  -5.844   7.184   1.130
   63    HA   ASP   8           HA       ASP   8  -7.157   9.599   0.356
   64   1HB   ASP   8          2HB       ASP   8  -8.709   7.030   0.356
   65   2HB   ASP   8          1HB       ASP   8  -9.499   8.545   0.784
   66    H    LYS   9           H        LYS   9  -5.551   8.345   2.556
   67    HA   LYS   9           HA       LYS   9  -5.317   8.597   4.791
   68   1HB   LYS   9          2HB       LYS   9  -7.830  10.240   4.568
   69   2HB   LYS   9          1HB       LYS   9  -6.706  10.237   5.920
   70   1HG   LYS   9          2HG       LYS   9  -5.433  11.766   4.942
   71   2HG   LYS   9          1HG       LYS   9  -5.329  10.809   3.463
   72   1HD   LYS   9          2HD       LYS   9  -6.745  12.171   2.421
   73   2HD   LYS   9          1HD       LYS   9  -7.944  11.969   3.701
   74   1HE   LYS   9          2HE       LYS   9  -7.103  14.337   3.234
   75   2HE   LYS   9          1HE       LYS   9  -7.129  13.797   4.912
   76   1HZ   LYS   9          1HZ       LYS   9  -5.031  14.956   3.853
   77   2HZ   LYS   9          2HZ       LYS   9  -4.669  13.369   3.395
   78   3HZ   LYS   9          3HZ       LYS   9  -4.879  13.750   5.029
   79    H    VAL  10           H        VAL  10  -7.517   6.762   3.405
   80    HA   VAL  10           HA       VAL  10  -8.572   5.751   5.958
   81    HB   VAL  10           HB       VAL  10  -9.991   6.062   3.325
   82   1HG1  VAL  10          1HG1      VAL  10 -10.757   4.270   5.626
   83   2HG1  VAL  10          2HG1      VAL  10 -10.406   3.785   3.967
   84   3HG1  VAL  10          3HG1      VAL  10 -11.848   4.737   4.322
   85   1HG2  VAL  10          1HG2      VAL  10  -9.947   7.616   5.585
   86   2HG2  VAL  10          2HG2      VAL  10 -11.402   6.644   5.810
   87   3HG2  VAL  10          3HG2      VAL  10 -11.213   7.625   4.357
   88    H    LEU  11           H        LEU  11  -8.436   4.753   2.554
   89    HA   LEU  11           HA       LEU  11  -8.065   2.668   1.647
   90   1HB   LEU  11          2HB       LEU  11  -5.602   1.983   2.449
   91   2HB   LEU  11          1HB       LEU  11  -5.920   3.250   1.285
   92    HG   LEU  11           HG       LEU  11  -5.809   4.059   4.138
   93   1HD1  LEU  11          1HD1      LEU  11  -3.954   2.443   3.890
   94   2HD1  LEU  11          2HD1      LEU  11  -3.424   4.095   4.213
   95   3HD1  LEU  11          3HD1      LEU  11  -3.321   3.439   2.583
   96   1HD2  LEU  11          1HD2      LEU  11  -4.682   6.003   3.152
   97   2HD2  LEU  11          2HD2      LEU  11  -6.243   5.697   2.393
   98   3HD2  LEU  11          3HD2      LEU  11  -4.755   5.233   1.568
   99    H    ILE  12           H        ILE  12  -6.627   0.489   2.380
  100    HA   ILE  12           HA       ILE  12  -7.804  -0.467   4.887
  101    HB   ILE  12           HB       ILE  12  -7.882  -2.725   3.440
  102   1HG1  ILE  12          2HG1      ILE  12  -9.328  -1.339   1.411
  103   2HG1  ILE  12          1HG1      ILE  12  -7.690  -0.701   1.458
  104   1HG2  ILE  12          1HG2      ILE  12 -10.037  -2.696   3.990
  105   2HG2  ILE  12          2HG2      ILE  12 -10.337  -1.192   3.120
  106   3HG2  ILE  12          3HG2      ILE  12  -9.662  -1.148   4.748
  107   1HD1  ILE  12          1HD1      ILE  12  -6.934  -2.476   0.392
  108   2HD1  ILE  12          2HD1      ILE  12  -8.589  -3.074   0.266
  109   3HD1  ILE  12          3HD1      ILE  12  -7.584  -3.541   1.638
  110    H    ARG  13           H        ARG  13  -6.210  -1.178   6.144
  111    HA   ARG  13           HA       ARG  13  -3.590  -1.683   5.210
  112   1HB   ARG  13          2HB       ARG  13  -5.019  -1.775   7.765
  113   2HB   ARG  13          1HB       ARG  13  -3.755  -2.988   7.632
  114   1HG   ARG  13          2HG       ARG  13  -2.081  -1.358   7.326
  115   2HG   ARG  13          1HG       ARG  13  -3.269  -0.090   7.024
  116   1HD   ARG  13          2HD       ARG  13  -3.949  -1.056   9.524
  117   2HD   ARG  13          1HD       ARG  13  -2.186  -1.069   9.535
  118    HE   ARG  13           HE       ARG  13  -2.212   1.215   9.591
  119   1HH1  ARG  13          1HH1      ARG  13  -5.339   0.078   8.562
  120   2HH1  ARG  13          2HH1      ARG  13  -6.067   1.649   8.600
  121   1HH2  ARG  13          1HH2      ARG  13  -3.162   3.289   9.646
  122   2HH2  ARG  13          2HH2      ARG  13  -4.830   3.473   9.216
  123    H    SER  14           H        SER  14  -6.426  -3.544   5.329
  124    HA   SER  14           HA       SER  14  -6.063  -6.090   5.696
  125   1HB   SER  14          2HB       SER  14  -8.017  -5.366   4.508
  126   2HB   SER  14          1HB       SER  14  -7.053  -4.907   3.105
  127    HG   SER  14           HG       SER  14  -7.302  -7.554   4.098
  128    H    ARG  15           H        ARG  15  -5.420  -5.391   2.349
  129    HA   ARG  15           HA       ARG  15  -2.691  -5.939   2.260
  130   1HB   ARG  15          2HB       ARG  15  -3.061  -8.317   1.144
  131   2HB   ARG  15          1HB       ARG  15  -2.809  -8.146   2.875
  132   1HG   ARG  15          2HG       ARG  15  -5.103  -8.436   3.337
  133   2HG   ARG  15          1HG       ARG  15  -5.546  -8.232   1.641
  134   1HD   ARG  15          2HD       ARG  15  -3.778 -10.330   1.558
  135   2HD   ARG  15          1HD       ARG  15  -4.635 -10.607   3.074
  136    HE   ARG  15           HE       ARG  15  -6.323 -10.049   0.793
  137   1HH1  ARG  15          1HH1      ARG  15  -4.757 -12.479   2.733
  138   2HH1  ARG  15          2HH1      ARG  15  -5.829 -13.749   2.242
  139   1HH2  ARG  15          1HH2      ARG  15  -7.743 -11.711   0.137
  140   2HH2  ARG  15          2HH2      ARG  15  -7.529 -13.311   0.765
  141    H    SER  16           H        SER  16  -4.637  -4.302   1.079
  142    HA   SER  16           HA       SER  16  -3.861  -4.592  -1.682
  143   1HB   SER  16          2HB       SER  16  -6.557  -4.250  -2.104
  144   2HB   SER  16          1HB       SER  16  -5.684  -5.770  -2.298
  145    HG   SER  16           HG       SER  16  -6.232  -6.274  -0.140
  146    H    ASN  17           H        ASN  17  -3.342  -2.650   0.273
  147    HA   ASN  17           HA       ASN  17  -4.221  -0.323  -1.157
  148   1HB   ASN  17          2HB       ASN  17  -5.633  -1.161   1.197
  149   2HB   ASN  17          1HB       ASN  17  -4.840   0.381   1.490
  150   1HD2  ASN  17          1HD2      ASN  17  -6.585  -1.197  -1.165
  151   2HD2  ASN  17          2HD2      ASN  17  -7.599   0.152  -1.531
  152    H    CYS  18           H        CYS  18  -3.240   1.652  -0.388
  153    HA   CYS  18           HA       CYS  18  -0.941   1.413   1.404
  154   1HB   CYS  18          2HB       CYS  18  -0.301   2.935  -1.008
  155   2HB   CYS  18          1HB       CYS  18   0.659   1.732  -0.170
  156    HA   PRO  19           HA       PRO  19  -2.470   5.384   2.606
  157   1HB   PRO  19          2HB       PRO  19  -0.172   6.525   3.565
  158   2HB   PRO  19          1HB       PRO  19  -1.125   5.336   4.456
  159   1HG   PRO  19          2HG       PRO  19   1.369   4.959   2.864
  160   2HG   PRO  19          1HG       PRO  19   0.902   4.228   4.408
  161   1HD   PRO  19          2HD       PRO  19   0.730   2.909   2.051
  162   2HD   PRO  19          1HD       PRO  19  -0.391   2.619   3.396
  163    H    LYS  20           H        LYS  20  -1.043   7.785   2.567
  164    HA   LYS  20           HA       LYS  20  -1.171   8.412  -0.250
  165   1HB   LYS  20          2HB       LYS  20  -0.826  10.733   0.514
  166   2HB   LYS  20          1HB       LYS  20  -2.143   9.945   1.378
  167   1HG   LYS  20          2HG       LYS  20  -0.757   9.581   3.290
  168   2HG   LYS  20          1HG       LYS  20   0.663  10.174   2.424
  169   1HD   LYS  20          2HD       LYS  20  -0.508  12.378   2.190
  170   2HD   LYS  20          1HD       LYS  20  -1.766  11.756   3.260
  171   1HE   LYS  20          2HE       LYS  20  -0.217  11.514   5.058
  172   2HE   LYS  20          1HE       LYS  20   1.151  11.858   4.000
  173   1HZ   LYS  20          1HZ       LYS  20  -0.872  13.922   4.082
  174   2HZ   LYS  20          2HZ       LYS  20   0.813  14.054   4.149
  175   3HZ   LYS  20          3HZ       LYS  20  -0.062  13.678   5.547
  176    H    GLY  21           H        GLY  21   0.536   8.861  -1.575
  177   1HA   GLY  21          2HA       GLY  21   2.723   8.651  -2.310
  178   2HA   GLY  21          1HA       GLY  21   3.035   9.784  -1.001
  179    H    LYS  22           H        LYS  22   2.477   6.331  -1.545
  180    HA   LYS  22           HA       LYS  22   4.475   5.751   0.527
  181   1HB   LYS  22          2HB       LYS  22   3.082   3.513   0.577
  182   2HB   LYS  22          1HB       LYS  22   2.552   4.932   1.464
  183   1HG   LYS  22          2HG       LYS  22   0.740   3.828   0.223
  184   2HG   LYS  22          1HG       LYS  22   0.992   5.504  -0.249
  185   1HD   LYS  22          2HD       LYS  22   0.605   4.001  -2.185
  186   2HD   LYS  22          1HD       LYS  22   2.153   4.829  -2.255
  187   1HE   LYS  22          2HE       LYS  22   2.933   2.601  -1.011
  188   2HE   LYS  22          1HE       LYS  22   1.557   1.958  -1.890
  189   1HZ   LYS  22          1HZ       LYS  22   3.811   3.436  -3.116
  190   2HZ   LYS  22          2HZ       LYS  22   2.496   2.769  -3.939
  191   3HZ   LYS  22          3HZ       LYS  22   3.602   1.758  -3.156
  192    H    VAL  23           H        VAL  23   4.752   3.072   0.144
  193    HA   VAL  23           HA       VAL  23   5.247   2.397  -2.581
  194    HB   VAL  23           HB       VAL  23   7.777   1.955  -1.574
  195   1HG1  VAL  23          1HG1      VAL  23   7.415   4.389  -3.169
  196   2HG1  VAL  23          2HG1      VAL  23   6.617   2.949  -3.804
  197   3HG1  VAL  23          3HG1      VAL  23   8.357   2.937  -3.511
  198   1HG2  VAL  23          1HG2      VAL  23   8.591   3.816  -0.509
  199   2HG2  VAL  23          2HG2      VAL  23   6.963   3.741   0.168
  200   3HG2  VAL  23          3HG2      VAL  23   7.323   4.864  -1.144
  201    H    TRP  24           H        TRP  24   4.809   0.294  -2.701
  202    HA   TRP  24           HA       TRP  24   4.544  -1.318  -0.419
  203   1HB   TRP  24          2HB       TRP  24   3.147  -1.932  -2.149
  204   2HB   TRP  24          1HB       TRP  24   4.405  -1.733  -3.343
  205    HD1  TRP  24           HD       TRP  24   6.055  -3.818  -3.763
  206    HE1  TRP  24           1HE      TRP  24   5.731  -6.329  -3.334
  207    HE3  TRP  24           3HE      TRP  24   2.209  -3.550  -0.451
  208    HZ2  TRP  24           2HZ      TRP  24   4.052  -7.983  -1.791
  209    HZ3  TRP  24           3HZ      TRP  24   1.318  -5.651   0.480
  210    HH2  TRP  24           HH       TRP  24   2.207  -7.813  -0.181
  211    H    ASN  25           H        ASN  25   5.529  -3.418  -0.201
  212    HA   ASN  25           HA       ASN  25   8.337  -3.587  -0.990
  213   1HB   ASN  25          2HB       ASN  25   7.933  -2.441   1.338
  214   2HB   ASN  25          1HB       ASN  25   7.638  -4.089   1.880
  215   1HD2  ASN  25          1HD2      ASN  25   9.368  -4.704   2.960
  216   2HD2  ASN  25          2HD2      ASN  25  11.004  -4.551   2.424
  217    H    GLY  26           H        GLY  26   9.171  -5.759   0.243
  218   1HA   GLY  26          2HA       GLY  26   8.420  -7.917  -1.052
  219   2HA   GLY  26          1HA       GLY  26   8.814  -8.026   0.651
  220    H    PHE  27           H        PHE  27   6.370  -6.622   1.580
  221    HA   PHE  27           HA       PHE  27   4.157  -8.069   0.530
  222   1HB   PHE  27          2HB       PHE  27   5.671  -9.198   2.752
  223   2HB   PHE  27          1HB       PHE  27   3.953  -9.025   3.097
  224    HD1  PHE  27           1HD      PHE  27   2.320  -9.980   1.344
  225    HD2  PHE  27           2HD      PHE  27   6.441 -11.021   1.556
  226    HE1  PHE  27           1HE      PHE  27   1.862 -12.036   0.072
  227    HE2  PHE  27           2HE      PHE  27   5.990 -13.079   0.283
  228    HZ   PHE  27           HZ       PHE  27   3.699 -13.588  -0.461
  229    H    ASP  28           H        ASP  28   4.489  -5.324   0.913
  230    HA   ASP  28           HA       ASP  28   2.163  -4.721   2.455
  231   1HB   ASP  28          2HB       ASP  28   4.836  -4.201   3.678
  232   2HB   ASP  28          1HB       ASP  28   3.486  -3.124   4.013
  233    H    CYS  29           H        CYS  29   1.339  -2.726   2.003
  234    HA   CYS  29           HA       CYS  29   2.855  -1.106   0.080
  235   1HB   CYS  29          2HB       CYS  29   0.284  -2.091  -0.026
  236   2HB   CYS  29          1HB       CYS  29   0.058  -0.422   0.485
  237    H    LYS  30           H        LYS  30   4.023   0.317   1.299
  238    HA   LYS  30           HA       LYS  30   2.615   2.428   2.601
  239   1HB   LYS  30          2HB       LYS  30   3.553   0.204   4.157
  240   2HB   LYS  30          1HB       LYS  30   4.408   1.663   4.621
  241   1HG   LYS  30          2HG       LYS  30   2.660   1.958   5.972
  242   2HG   LYS  30          1HG       LYS  30   1.930   2.636   4.524
  243   1HD   LYS  30          2HD       LYS  30   0.688   0.829   6.008
  244   2HD   LYS  30          1HD       LYS  30   0.497   0.886   4.259
  245   1HE   LYS  30          2HE       LYS  30   1.870  -0.967   3.931
  246   2HE   LYS  30          1HE       LYS  30   2.630  -0.802   5.512
  247   1HZ   LYS  30          1HZ       LYS  30   1.029  -1.995   6.486
  248   2HZ   LYS  30          2HZ       LYS  30   0.659  -2.535   4.927
  249   3HZ   LYS  30          3HZ       LYS  30  -0.216  -1.258   5.609
  250    H    SER  31           H        SER  31   3.864   4.258   2.929
  251    HA   SER  31           HA       SER  31   5.891   4.907   1.278
  252   1HB   SER  31          2HB       SER  31   6.546   6.250   3.666
  253   2HB   SER  31          1HB       SER  31   5.543   6.847   2.343
  254    HG   SER  31           HG       SER  31   4.314   6.919   4.185
  255    HA   PRO  32           HA       PRO  32   9.659   3.058   2.553
  256   1HB   PRO  32          2HB       PRO  32  11.503   5.003   2.249
  257   2HB   PRO  32          1HB       PRO  32  10.673   4.272   0.870
  258   1HG   PRO  32          2HG       PRO  32  10.152   6.881   2.232
  259   2HG   PRO  32          1HG       PRO  32  10.127   6.494   0.503
  260   1HD   PRO  32          2HD       PRO  32   7.880   6.700   2.066
  261   2HD   PRO  32          1HD       PRO  32   7.974   5.729   0.587
  262    H    PHE  33           H        PHE  33   8.521   5.764   4.286
  263    HA   PHE  33           HA       PHE  33  10.498   5.974   6.277
  264   1HB   PHE  33          2HB       PHE  33   7.615   6.398   6.928
  265   2HB   PHE  33          1HB       PHE  33   9.016   7.364   7.379
  266    HD1  PHE  33           1HD      PHE  33   6.129   7.557   5.648
  267    HD2  PHE  33           2HD      PHE  33  10.292   8.187   5.037
  268    HE1  PHE  33           1HE      PHE  33   5.619   9.120   3.819
  269    HE2  PHE  33           2HE      PHE  33   9.792   9.752   3.206
  270    HZ   PHE  33           HZ       PHE  33   7.452  10.221   2.595
  271    H    ALA  34           H        ALA  34   8.133   3.607   5.595
  272    HA   ALA  34           HA       ALA  34   8.605   2.329   8.209
  273   1HB   ALA  34          1HB       ALA  34   6.243   1.384   6.818
  274   2HB   ALA  34          2HB       ALA  34   6.178   3.115   7.151
  275   3HB   ALA  34          3HB       ALA  34   6.422   1.973   8.470
  276    H    PHE  35           H        PHE  35  10.417   1.921   6.196
  277    HA   PHE  35           HA       PHE  35  10.255  -0.924   5.879
  278   1HB   PHE  35          2HB       PHE  35   9.957   0.874   3.481
  279   2HB   PHE  35          1HB       PHE  35  10.624  -0.749   3.337
  280    HD1  PHE  35           1HD      PHE  35   7.909   0.774   2.418
  281    HD2  PHE  35           2HD      PHE  35   8.950  -2.244   5.231
  282    HE1  PHE  35           1HE      PHE  35   5.630  -0.142   2.273
  283    HE2  PHE  35           2HE      PHE  35   6.673  -3.168   5.089
  284    HZ   PHE  35           HZ       PHE  35   5.010  -2.115   3.610
  285    H    SER  36           H        SER  36  12.062   0.570   7.266
  286    HA   SER  36           HA       SER  36  14.475   0.490   5.577
  287   1HB   SER  36          2HB       SER  36  14.023   2.740   6.418
  288   2HB   SER  36          1HB       SER  36  13.963   2.128   8.070
  289    HG   SER  36           HG       SER  36  16.143   1.607   7.919
  Start of MODEL    5
    1   1H    GLU   1          1HT       GLU   1  -3.122 -10.879  -5.117
    2   2H    GLU   1          2HT       GLU   1  -4.344 -10.044  -5.987
    3   3H    GLU   1          3HT       GLU   1  -4.757 -10.988  -4.615
    4    HA   GLU   1           HA       GLU   1  -4.744  -9.053  -3.598
    5   1HB   GLU   1          2HB       GLU   1  -1.757  -9.156  -3.721
    6   2HB   GLU   1          1HB       GLU   1  -2.808  -8.883  -2.338
    7   1HG   GLU   1          2HG       GLU   1  -3.443 -11.444  -3.099
    8   2HG   GLU   1          1HG       GLU   1  -1.706 -11.355  -3.393
    9    H    LEU   2           H        LEU   2  -5.327  -8.155  -5.954
   10    HA   LEU   2           HA       LEU   2  -3.402  -6.421  -7.137
   11   1HB   LEU   2          2HB       LEU   2  -5.943  -7.393  -7.810
   12   2HB   LEU   2          1HB       LEU   2  -6.126  -5.654  -7.696
   13    HG   LEU   2           HG       LEU   2  -4.201  -7.146  -9.480
   14   1HD1  LEU   2          1HD1      LEU   2  -6.884  -6.035  -9.818
   15   2HD1  LEU   2          2HD1      LEU   2  -6.013  -7.226 -10.786
   16   3HD1  LEU   2          3HD1      LEU   2  -5.727  -5.505 -11.039
   17   1HD2  LEU   2          1HD2      LEU   2  -4.622  -4.169  -9.341
   18   2HD2  LEU   2          2HD2      LEU   2  -3.412  -5.054 -10.269
   19   3HD2  LEU   2          3HD2      LEU   2  -3.308  -5.001  -8.510
   20    HA   PRO   3           HA       PRO   3  -6.259  -3.140  -4.755
   21   1HB   PRO   3          2HB       PRO   3  -6.521  -4.905  -2.366
   22   2HB   PRO   3          1HB       PRO   3  -7.652  -3.708  -3.012
   23   1HG   PRO   3          2HG       PRO   3  -8.106  -6.288  -3.388
   24   2HG   PRO   3          1HG       PRO   3  -8.387  -5.131  -4.705
   25   1HD   PRO   3          2HD       PRO   3  -6.117  -7.035  -4.308
   26   2HD   PRO   3          1HD       PRO   3  -6.945  -6.562  -5.806
   27    H    LYS   4           H        LYS   4  -3.904  -2.608  -4.966
   28    HA   LYS   4           HA       LYS   4  -2.800  -2.152  -2.334
   29   1HB   LYS   4          2HB       LYS   4  -1.821  -4.246  -3.965
   30   2HB   LYS   4          1HB       LYS   4  -0.617  -2.965  -4.008
   31   1HG   LYS   4          2HG       LYS   4   0.072  -4.197  -2.199
   32   2HG   LYS   4          1HG       LYS   4  -0.925  -2.962  -1.425
   33   1HD   LYS   4          2HD       LYS   4  -2.061  -4.627  -0.481
   34   2HD   LYS   4          1HD       LYS   4  -2.714  -4.979  -2.084
   35   1HE   LYS   4          2HE       LYS   4  -1.695  -6.950  -2.052
   36   2HE   LYS   4          1HE       LYS   4  -0.136  -6.132  -1.948
   37   1HZ   LYS   4          1HZ       LYS   4  -1.225  -7.762  -0.054
   38   2HZ   LYS   4          2HZ       LYS   4  -1.490  -6.211   0.569
   39   3HZ   LYS   4          3HZ       LYS   4   0.078  -6.708   0.173
   40    H    LEU   5           H        LEU   5  -3.970  -0.428  -4.243
   41    HA   LEU   5           HA       LEU   5  -1.748   1.419  -4.551
   42   1HB   LEU   5          2HB       LEU   5  -2.913   1.902  -6.925
   43   2HB   LEU   5          1HB       LEU   5  -1.518   0.864  -6.711
   44    HG   LEU   5           HG       LEU   5  -3.815  -0.751  -6.326
   45   1HD1  LEU   5          1HD1      LEU   5  -5.333  -0.194  -7.862
   46   2HD1  LEU   5          2HD1      LEU   5  -4.102   0.191  -9.067
   47   3HD1  LEU   5          3HD1      LEU   5  -4.567   1.394  -7.864
   48   1HD2  LEU   5          1HD2      LEU   5  -2.707  -2.126  -7.739
   49   2HD2  LEU   5          2HD2      LEU   5  -1.385  -0.999  -7.438
   50   3HD2  LEU   5          3HD2      LEU   5  -2.364  -0.840  -8.896
   51    HA   PRO   6           HA       PRO   6  -5.837   3.614  -3.847
   52   1HB   PRO   6          2HB       PRO   6  -6.717   3.092  -1.428
   53   2HB   PRO   6          1HB       PRO   6  -6.884   1.852  -2.682
   54   1HG   PRO   6          2HG       PRO   6  -4.913   2.040  -0.450
   55   2HG   PRO   6          1HG       PRO   6  -5.722   0.608  -1.110
   56   1HD   PRO   6          2HD       PRO   6  -3.130   1.540  -1.779
   57   2HD   PRO   6          1HD       PRO   6  -4.056   0.276  -2.602
   58    H    ASP   7           H        ASP   7  -6.394   5.300  -2.040
   59    HA   ASP   7           HA       ASP   7  -4.546   6.107  -0.131
   60   1HB   ASP   7          2HB       ASP   7  -3.553   8.103  -1.320
   61   2HB   ASP   7          1HB       ASP   7  -2.935   6.536  -1.832
   62    H    ASP   8           H        ASP   8  -5.723   7.299   1.207
   63    HA   ASP   8           HA       ASP   8  -7.174   9.595   0.414
   64   1HB   ASP   8          2HB       ASP   8  -8.627   7.036   0.500
   65   2HB   ASP   8          1HB       ASP   8  -9.384   8.339   1.412
   66    H    LYS   9           H        LYS   9  -5.259   8.663   2.430
   67    HA   LYS   9           HA       LYS   9  -4.757   8.931   4.615
   68   1HB   LYS   9          2HB       LYS   9  -7.073  10.675   5.131
   69   2HB   LYS   9          1HB       LYS   9  -5.368  10.939   5.454
   70   1HG   LYS   9          2HG       LYS   9  -5.593  10.979   2.676
   71   2HG   LYS   9          1HG       LYS   9  -6.990  11.875   3.272
   72   1HD   LYS   9          2HD       LYS   9  -4.204  12.393   4.273
   73   2HD   LYS   9          1HD       LYS   9  -4.858  13.200   2.846
   74   1HE   LYS   9          2HE       LYS   9  -5.805  14.701   4.177
   75   2HE   LYS   9          1HE       LYS   9  -6.817  13.423   4.847
   76   1HZ   LYS   9          1HZ       LYS   9  -4.365  13.176   6.086
   77   2HZ   LYS   9          2HZ       LYS   9  -5.797  13.765   6.767
   78   3HZ   LYS   9          3HZ       LYS   9  -4.690  14.837   6.070
   79    H    VAL  10           H        VAL  10  -6.989   7.017   3.722
   80    HA   VAL  10           HA       VAL  10  -7.974   6.426   6.433
   81    HB   VAL  10           HB       VAL  10  -9.506   6.350   3.841
   82   1HG1  VAL  10          1HG1      VAL  10 -11.340   5.273   5.197
   83   2HG1  VAL  10          2HG1      VAL  10 -10.118   4.923   6.420
   84   3HG1  VAL  10          3HG1      VAL  10  -9.972   4.232   4.804
   85   1HG2  VAL  10          1HG2      VAL  10  -9.479   8.025   6.203
   86   2HG2  VAL  10          2HG2      VAL  10 -11.084   7.369   5.878
   87   3HG2  VAL  10          3HG2      VAL  10 -10.243   8.295   4.636
   88    H    LEU  11           H        LEU  11  -8.260   4.858   3.285
   89    HA   LEU  11           HA       LEU  11  -8.023   2.639   2.720
   90   1HB   LEU  11          2HB       LEU  11  -5.566   2.032   2.773
   91   2HB   LEU  11          1HB       LEU  11  -5.991   3.515   1.948
   92    HG   LEU  11           HG       LEU  11  -5.361   4.101   4.683
   93   1HD1  LEU  11          1HD1      LEU  11  -3.608   2.152   3.328
   94   2HD1  LEU  11          2HD1      LEU  11  -3.894   2.424   5.048
   95   3HD1  LEU  11          3HD1      LEU  11  -2.824   3.501   4.151
   96   1HD2  LEU  11          1HD2      LEU  11  -3.855   5.659   3.696
   97   2HD2  LEU  11          2HD2      LEU  11  -5.306   5.609   2.695
   98   3HD2  LEU  11          3HD2      LEU  11  -3.846   4.769   2.173
   99    H    ILE  12           H        ILE  12  -6.418   0.616   3.490
  100    HA   ILE  12           HA       ILE  12  -7.136   0.069   6.292
  101    HB   ILE  12           HB       ILE  12  -7.089  -2.423   5.161
  102   1HG1  ILE  12          2HG1      ILE  12  -9.011  -1.121   3.347
  103   2HG1  ILE  12          1HG1      ILE  12  -7.316  -0.865   2.953
  104   1HG2  ILE  12          1HG2      ILE  12  -8.996  -2.557   6.261
  105   2HG2  ILE  12          2HG2      ILE  12  -9.777  -1.409   5.174
  106   3HG2  ILE  12          3HG2      ILE  12  -8.868  -0.825   6.569
  107   1HD1  ILE  12          1HD1      ILE  12  -8.074  -2.774   1.757
  108   2HD1  ILE  12          2HD1      ILE  12  -8.744  -3.492   3.223
  109   3HD1  ILE  12          3HD1      ILE  12  -6.997  -3.331   3.039
  110    H    ARG  13           H        ARG  13  -5.824  -1.575   7.309
  111    HA   ARG  13           HA       ARG  13  -3.079  -1.555   6.266
  112   1HB   ARG  13          2HB       ARG  13  -4.242  -1.300   8.894
  113   2HB   ARG  13          1HB       ARG  13  -3.142  -2.670   8.859
  114   1HG   ARG  13          2HG       ARG  13  -1.365  -1.343   8.885
  115   2HG   ARG  13          1HG       ARG  13  -1.987  -0.373   7.550
  116   1HD   ARG  13          2HD       ARG  13  -3.588   0.400   9.631
  117   2HD   ARG  13          1HD       ARG  13  -2.039   0.135  10.429
  118    HE   ARG  13           HE       ARG  13  -2.699   2.225   8.561
  119   1HH1  ARG  13          1HH1      ARG  13  -0.140   0.366  10.016
  120   2HH1  ARG  13          2HH1      ARG  13   1.074   1.568   9.728
  121   1HH2  ARG  13          1HH2      ARG  13  -1.110   3.816   8.175
  122   2HH2  ARG  13          2HH2      ARG  13   0.522   3.530   8.680
  123    H    SER  14           H        SER  14  -5.804  -3.512   6.680
  124    HA   SER  14           HA       SER  14  -5.188  -5.998   7.288
  125   1HB   SER  14          2HB       SER  14  -7.014  -4.814   5.440
  126   2HB   SER  14          1HB       SER  14  -6.374  -6.297   4.736
  127    HG   SER  14           HG       SER  14  -6.998  -7.380   6.656
  128    H    ARG  15           H        ARG  15  -4.984  -5.450   3.837
  129    HA   ARG  15           HA       ARG  15  -2.256  -5.870   3.486
  130   1HB   ARG  15          2HB       ARG  15  -2.182  -8.223   2.770
  131   2HB   ARG  15          1HB       ARG  15  -2.616  -8.077   4.467
  132   1HG   ARG  15          2HG       ARG  15  -4.682  -8.923   4.153
  133   2HG   ARG  15          1HG       ARG  15  -4.864  -8.177   2.565
  134   1HD   ARG  15          2HD       ARG  15  -2.801 -10.243   2.666
  135   2HD   ARG  15          1HD       ARG  15  -4.416 -10.840   3.040
  136    HE   ARG  15           HE       ARG  15  -3.450 -10.180   0.492
  137   1HH1  ARG  15          1HH1      ARG  15  -6.276  -9.737   2.478
  138   2HH1  ARG  15          2HH1      ARG  15  -7.365  -9.634   1.134
  139   1HH2  ARG  15          1HH2      ARG  15  -4.873 -10.048  -1.287
  140   2HH2  ARG  15          2HH2      ARG  15  -6.566  -9.812  -1.007
  141    H    SER  16           H        SER  16  -4.406  -4.392   2.427
  142    HA   SER  16           HA       SER  16  -3.891  -4.830  -0.383
  143   1HB   SER  16          2HB       SER  16  -6.730  -4.582  -0.248
  144   2HB   SER  16          1HB       SER  16  -5.776  -5.896  -0.935
  145    HG   SER  16           HG       SER  16  -7.283  -6.407   0.861
  146    H    ASN  17           H        ASN  17  -3.249  -2.705   1.324
  147    HA   ASN  17           HA       ASN  17  -4.401  -0.559  -0.187
  148   1HB   ASN  17          2HB       ASN  17  -5.478  -1.229   2.399
  149   2HB   ASN  17          1HB       ASN  17  -4.769   0.380   2.423
  150   1HD2  ASN  17          1HD2      ASN  17  -6.830  -1.647   0.371
  151   2HD2  ASN  17          2HD2      ASN  17  -7.926  -0.388  -0.071
  152    H    CYS  18           H        CYS  18  -3.292   1.394   0.020
  153    HA   CYS  18           HA       CYS  18  -0.859   1.402   1.652
  154   1HB   CYS  18          2HB       CYS  18  -0.480   2.655  -0.957
  155   2HB   CYS  18          1HB       CYS  18   0.545   1.525  -0.100
  156    HA   PRO  19           HA       PRO  19  -2.192   5.495   2.645
  157   1HB   PRO  19          2HB       PRO  19   0.633   6.259   2.938
  158   2HB   PRO  19          1HB       PRO  19  -0.648   6.208   4.153
  159   1HG   PRO  19          2HG       PRO  19   1.339   4.414   4.149
  160   2HG   PRO  19          1HG       PRO  19  -0.316   3.962   4.601
  161   1HD   PRO  19          2HD       PRO  19   1.119   3.547   2.002
  162   2HD   PRO  19          1HD       PRO  19   0.091   2.416   2.905
  163    H    LYS  20           H        LYS  20  -0.613   7.799   2.311
  164    HA   LYS  20           HA       LYS  20  -1.120   8.351  -0.485
  165   1HB   LYS  20          2HB       LYS  20  -0.583  10.688   0.157
  166   2HB   LYS  20          1HB       LYS  20  -1.846   9.975   1.154
  167   1HG   LYS  20          2HG       LYS  20   0.252   9.366   2.675
  168   2HG   LYS  20          1HG       LYS  20   0.903  10.794   1.872
  169   1HD   LYS  20          2HD       LYS  20  -0.364  12.160   3.103
  170   2HD   LYS  20          1HD       LYS  20  -1.820  11.226   2.755
  171   1HE   LYS  20          2HE       LYS  20  -1.476  11.212   5.123
  172   2HE   LYS  20          1HE       LYS  20  -1.115   9.600   4.508
  173   1HZ   LYS  20          1HZ       LYS  20   1.201  10.016   4.685
  174   2HZ   LYS  20          2HZ       LYS  20   0.508  10.482   6.156
  175   3HZ   LYS  20          3HZ       LYS  20   0.959  11.656   5.025
  176    H    GLY  21           H        GLY  21   0.394   8.766  -2.044
  177   1HA   GLY  21          2HA       GLY  21   2.453   8.398  -3.061
  178   2HA   GLY  21          1HA       GLY  21   2.934   9.654  -1.927
  179    H    LYS  22           H        LYS  22   1.893   6.395  -1.156
  180    HA   LYS  22           HA       LYS  22   4.235   5.961   0.453
  181   1HB   LYS  22          2HB       LYS  22   3.043   4.270   1.418
  182   2HB   LYS  22          1HB       LYS  22   1.731   5.267   0.822
  183   1HG   LYS  22          2HG       LYS  22   2.745   2.665  -0.227
  184   2HG   LYS  22          1HG       LYS  22   1.118   3.142   0.238
  185   1HD   LYS  22          2HD       LYS  22   0.635   3.810  -1.837
  186   2HD   LYS  22          1HD       LYS  22   2.086   4.795  -1.914
  187   1HE   LYS  22          2HE       LYS  22   1.914   2.992  -3.649
  188   2HE   LYS  22          1HE       LYS  22   3.395   3.002  -2.698
  189   1HZ   LYS  22          1HZ       LYS  22   2.896   0.820  -2.548
  190   2HZ   LYS  22          2HZ       LYS  22   1.235   1.051  -2.748
  191   3HZ   LYS  22          3HZ       LYS  22   1.955   1.342  -1.247
  192    H    VAL  23           H        VAL  23   4.503   3.201   0.188
  193    HA   VAL  23           HA       VAL  23   5.166   2.541  -2.523
  194    HB   VAL  23           HB       VAL  23   7.599   2.110  -1.675
  195   1HG1  VAL  23          1HG1      VAL  23   8.032   3.588  -3.283
  196   2HG1  VAL  23          2HG1      VAL  23   7.481   4.916  -2.261
  197   3HG1  VAL  23          3HG1      VAL  23   6.325   4.029  -3.255
  198   1HG2  VAL  23          1HG2      VAL  23   8.233   3.089   0.211
  199   2HG2  VAL  23          2HG2      VAL  23   6.550   3.527   0.496
  200   3HG2  VAL  23          3HG2      VAL  23   7.621   4.646  -0.347
  201    H    TRP  24           H        TRP  24   4.696   0.424  -2.676
  202    HA   TRP  24           HA       TRP  24   4.409  -1.216  -0.400
  203   1HB   TRP  24          2HB       TRP  24   2.996  -1.807  -2.124
  204   2HB   TRP  24          1HB       TRP  24   4.239  -1.592  -3.329
  205    HD1  TRP  24           HD       TRP  24   5.753  -3.693  -3.920
  206    HE1  TRP  24           1HE      TRP  24   5.475  -6.203  -3.469
  207    HE3  TRP  24           3HE      TRP  24   2.259  -3.431  -0.249
  208    HZ2  TRP  24           2HZ      TRP  24   3.962  -7.861  -1.769
  209    HZ3  TRP  24           3HZ      TRP  24   1.462  -5.533   0.763
  210    HH2  TRP  24           HH       TRP  24   2.285  -7.694   0.016
  211    H    ASN  25           H        ASN  25   5.419  -3.387  -0.344
  212    HA   ASN  25           HA       ASN  25   8.216  -3.479  -1.147
  213   1HB   ASN  25          2HB       ASN  25   8.845  -2.612   0.853
  214   2HB   ASN  25          1HB       ASN  25   7.274  -2.908   1.583
  215   1HD2  ASN  25          1HD2      ASN  25  10.496  -3.838   1.441
  216   2HD2  ASN  25          2HD2      ASN  25  10.385  -5.285   2.378
  217    H    GLY  26           H        GLY  26   9.155  -5.663  -0.196
  218   1HA   GLY  26          2HA       GLY  26   8.263  -7.802  -1.420
  219   2HA   GLY  26          1HA       GLY  26   8.864  -7.945   0.219
  220    H    PHE  27           H        PHE  27   6.552  -6.545   1.432
  221    HA   PHE  27           HA       PHE  27   4.219  -7.995   0.678
  222   1HB   PHE  27          2HB       PHE  27   5.985  -9.063   2.764
  223   2HB   PHE  27          1HB       PHE  27   4.295  -8.930   3.238
  224    HD1  PHE  27           1HD      PHE  27   2.592  -9.841   1.428
  225    HD2  PHE  27           2HD      PHE  27   6.677 -10.994   1.746
  226    HE1  PHE  27           1HE      PHE  27   2.092 -11.927   0.226
  227    HE2  PHE  27           2HE      PHE  27   6.183 -13.083   0.543
  228    HZ   PHE  27           HZ       PHE  27   3.889 -13.552  -0.218
  229    H    ASP  28           H        ASP  28   4.551  -5.256   0.925
  230    HA   ASP  28           HA       ASP  28   2.483  -4.636   2.796
  231   1HB   ASP  28          2HB       ASP  28   5.302  -4.118   3.596
  232   2HB   ASP  28          1HB       ASP  28   4.056  -2.961   4.053
  233    H    CYS  29           H        CYS  29   1.561  -2.675   2.413
  234    HA   CYS  29           HA       CYS  29   2.763  -1.069   0.263
  235   1HB   CYS  29          2HB       CYS  29   0.156  -2.085   0.684
  236   2HB   CYS  29          1HB       CYS  29   0.065  -0.340   0.877
  237    H    LYS  30           H        LYS  30   4.066   0.385   1.438
  238    HA   LYS  30           HA       LYS  30   2.659   2.468   2.804
  239   1HB   LYS  30          2HB       LYS  30   3.613   0.277   4.312
  240   2HB   LYS  30          1HB       LYS  30   4.614   1.666   4.707
  241   1HG   LYS  30          2HG       LYS  30   3.006   2.145   6.159
  242   2HG   LYS  30          1HG       LYS  30   2.172   2.789   4.748
  243   1HD   LYS  30          2HD       LYS  30   0.895   1.198   6.328
  244   2HD   LYS  30          1HD       LYS  30   0.755   0.957   4.590
  245   1HE   LYS  30          2HE       LYS  30   1.805  -1.037   4.658
  246   2HE   LYS  30          1HE       LYS  30   2.966  -0.496   5.871
  247   1HZ   LYS  30          1HZ       LYS  30   0.190  -0.882   6.712
  248   2HZ   LYS  30          2HZ       LYS  30   1.623  -1.130   7.575
  249   3HZ   LYS  30          3HZ       LYS  30   1.123  -2.265   6.425
  250    H    SER  31           H        SER  31   3.857   4.329   3.179
  251    HA   SER  31           HA       SER  31   5.778   5.065   1.401
  252   1HB   SER  31          2HB       SER  31   4.700   6.149   3.862
  253   2HB   SER  31          1HB       SER  31   6.399   6.578   3.660
  254    HG   SER  31           HG       SER  31   5.894   7.817   2.029
  255    HA   PRO  32           HA       PRO  32   9.778   3.696   2.576
  256   1HB   PRO  32          2HB       PRO  32  10.903   6.389   2.770
  257   2HB   PRO  32          1HB       PRO  32  11.211   5.138   1.563
  258   1HG   PRO  32          2HG       PRO  32   9.841   7.395   0.993
  259   2HG   PRO  32          1HG       PRO  32   9.499   5.846   0.201
  260   1HD   PRO  32          2HD       PRO  32   8.036   7.195   2.441
  261   2HD   PRO  32          1HD       PRO  32   7.388   6.322   1.035
  262    H    PHE  33           H        PHE  33   8.060   5.675   4.660
  263    HA   PHE  33           HA       PHE  33   9.942   6.076   6.734
  264   1HB   PHE  33          2HB       PHE  33   7.048   5.665   7.348
  265   2HB   PHE  33          1HB       PHE  33   8.166   6.870   7.981
  266    HD1  PHE  33           1HD      PHE  33   5.299   7.233   6.873
  267    HD2  PHE  33           2HD      PHE  33   9.171   7.714   5.171
  268    HE1  PHE  33           1HE      PHE  33   4.394   8.887   5.292
  269    HE2  PHE  33           2HE      PHE  33   8.272   9.369   3.587
  270    HZ   PHE  33           HZ       PHE  33   5.881   9.957   3.646
  271    H    ALA  34           H        ALA  34   8.088   3.420   5.626
  272    HA   ALA  34           HA       ALA  34   8.480   1.818   8.028
  273   1HB   ALA  34          1HB       ALA  34   7.296   0.933   5.413
  274   2HB   ALA  34          2HB       ALA  34   6.368   1.796   6.639
  275   3HB   ALA  34          3HB       ALA  34   7.069   0.222   7.013
  276    H    PHE  35           H        PHE  35   8.666  -0.594   6.385
  277    HA   PHE  35           HA       PHE  35  10.986  -1.664   6.585
  278   1HB   PHE  35          2HB       PHE  35  10.623  -1.906   3.769
  279   2HB   PHE  35          1HB       PHE  35  10.191  -3.059   5.025
  280    HD1  PHE  35           1HD      PHE  35   8.990  -0.689   2.609
  281    HD2  PHE  35           2HD      PHE  35   7.918  -2.898   6.085
  282    HE1  PHE  35           1HE      PHE  35   6.611  -0.326   2.103
  283    HE2  PHE  35           2HE      PHE  35   5.537  -2.540   5.584
  284    HZ   PHE  35           HZ       PHE  35   4.881  -1.252   3.590
  285    H    SER  36           H        SER  36  12.668  -0.166   6.932
  286    HA   SER  36           HA       SER  36  13.544   1.762   5.111
  287   1HB   SER  36          2HB       SER  36  14.244   1.296   7.596
  288   2HB   SER  36          1HB       SER  36  15.501   0.306   6.856
  289    HG   SER  36           HG       SER  36  16.299   2.099   5.830
  Start of MODEL    6
    1   1H    GLU   1          1HT       GLU   1   0.572 -11.614  -5.675
    2   2H    GLU   1          2HT       GLU   1  -0.099 -12.606  -6.905
    3   3H    GLU   1          3HT       GLU   1  -0.439 -12.932  -5.254
    4    HA   GLU   1           HA       GLU   1  -2.261 -11.871  -6.426
    5   1HB   GLU   1          2HB       GLU   1  -2.580 -10.119  -4.670
    6   2HB   GLU   1          1HB       GLU   1  -2.100 -11.686  -4.034
    7   1HG   GLU   1          2HG       GLU   1  -0.193 -10.892  -3.188
    8   2HG   GLU   1          1HG       GLU   1   0.148  -9.921  -4.621
    9    H    LEU   2           H        LEU   2  -2.897  -9.267  -6.366
   10    HA   LEU   2           HA       LEU   2  -1.155  -8.108  -8.436
   11   1HB   LEU   2          2HB       LEU   2  -3.444  -8.613  -9.154
   12   2HB   LEU   2          1HB       LEU   2  -4.077  -7.605  -7.868
   13    HG   LEU   2           HG       LEU   2  -3.033  -5.631  -8.909
   14   1HD1  LEU   2          1HD1      LEU   2  -1.286  -7.198 -10.075
   15   2HD1  LEU   2          2HD1      LEU   2  -1.782  -5.682 -10.827
   16   3HD1  LEU   2          3HD1      LEU   2  -2.479  -7.207 -11.374
   17   1HD2  LEU   2          1HD2      LEU   2  -5.195  -7.203  -9.977
   18   2HD2  LEU   2          2HD2      LEU   2  -4.420  -6.258 -11.248
   19   3HD2  LEU   2          3HD2      LEU   2  -5.053  -5.453  -9.813
   20    HA   PRO   3           HA       PRO   3   0.050  -5.222  -5.195
   21   1HB   PRO   3          2HB       PRO   3   1.150  -3.873  -7.614
   22   2HB   PRO   3          1HB       PRO   3   1.938  -4.241  -6.075
   23   1HG   PRO   3          2HG       PRO   3   2.470  -5.685  -8.244
   24   2HG   PRO   3          1HG       PRO   3   2.325  -6.456  -6.654
   25   1HD   PRO   3          2HD       PRO   3   0.386  -6.416  -8.927
   26   2HD   PRO   3          1HD       PRO   3   0.753  -7.718  -7.778
   27    H    LYS   4           H        LYS   4  -1.357  -3.789  -4.429
   28    HA   LYS   4           HA       LYS   4  -3.251  -2.463  -6.125
   29   1HB   LYS   4          2HB       LYS   4  -3.579  -1.199  -3.760
   30   2HB   LYS   4          1HB       LYS   4  -4.312  -2.747  -4.147
   31   1HG   LYS   4          2HG       LYS   4  -1.610  -2.676  -2.890
   32   2HG   LYS   4          1HG       LYS   4  -3.048  -2.410  -1.900
   33   1HD   LYS   4          2HD       LYS   4  -3.644  -4.570  -1.988
   34   2HD   LYS   4          1HD       LYS   4  -3.291  -4.687  -3.712
   35   1HE   LYS   4          2HE       LYS   4  -1.883  -5.949  -1.778
   36   2HE   LYS   4          1HE       LYS   4  -1.236  -5.525  -3.361
   37   1HZ   LYS   4          1HZ       LYS   4  -0.019  -3.814  -2.508
   38   2HZ   LYS   4          2HZ       LYS   4   0.000  -4.854  -1.175
   39   3HZ   LYS   4          3HZ       LYS   4  -1.068  -3.543  -1.207
   40    H    LEU   5           H        LEU   5  -3.608   0.026  -5.456
   41    HA   LEU   5           HA       LEU   5  -1.235   1.568  -5.143
   42   1HB   LEU   5          2HB       LEU   5  -2.081   2.541  -7.634
   43   2HB   LEU   5          1HB       LEU   5  -0.558   1.767  -7.246
   44    HG   LEU   5           HG       LEU   5  -2.555  -0.254  -7.682
   45   1HD1  LEU   5          1HD1      LEU   5  -3.722   0.434  -9.431
   46   2HD1  LEU   5          2HD1      LEU   5  -2.243   0.862 -10.292
   47   3HD1  LEU   5          3HD1      LEU   5  -3.021   2.042  -9.234
   48   1HD2  LEU   5          1HD2      LEU   5  -0.599  -0.018  -9.765
   49   2HD2  LEU   5          2HD2      LEU   5  -0.744  -1.241  -8.502
   50   3HD2  LEU   5          3HD2      LEU   5   0.156   0.244  -8.192
   51    HA   PRO   6           HA       PRO   6  -5.169   3.938  -4.509
   52   1HB   PRO   6          2HB       PRO   6  -5.956   3.153  -2.078
   53   2HB   PRO   6          1HB       PRO   6  -6.294   2.169  -3.506
   54   1HG   PRO   6          2HG       PRO   6  -4.410   1.671  -1.305
   55   2HG   PRO   6          1HG       PRO   6  -5.089   0.535  -2.480
   56   1HD   PRO   6          2HD       PRO   6  -2.515   1.908  -2.531
   57   2HD   PRO   6          1HD       PRO   6  -3.096   0.586  -3.558
   58    H    ASP   7           H        ASP   7  -5.747   5.013  -2.051
   59    HA   ASP   7           HA       ASP   7  -3.612   5.784  -0.447
   60   1HB   ASP   7          2HB       ASP   7  -3.479   8.223  -1.333
   61   2HB   ASP   7          1HB       ASP   7  -2.528   6.965  -2.117
   62    H    ASP   8           H        ASP   8  -6.141   7.774  -1.978
   63    HA   ASP   8           HA       ASP   8  -7.371   8.046   0.686
   64   1HB   ASP   8          2HB       ASP   8  -6.735  10.099  -1.384
   65   2HB   ASP   8          1HB       ASP   8  -8.172  10.327  -0.392
   66    H    LYS   9           H        LYS   9  -8.310   6.000  -0.688
   67    HA   LYS   9           HA       LYS   9 -10.951   6.924  -1.557
   68   1HB   LYS   9          2HB       LYS   9 -10.077   4.575  -3.039
   69   2HB   LYS   9          1HB       LYS   9 -10.829   6.052  -3.623
   70   1HG   LYS   9          2HG       LYS   9  -8.731   7.157  -3.783
   71   2HG   LYS   9          1HG       LYS   9  -7.911   5.846  -2.931
   72   1HD   LYS   9          2HD       LYS   9  -7.609   4.722  -4.827
   73   2HD   LYS   9          1HD       LYS   9  -9.325   4.833  -5.225
   74   1HE   LYS   9          2HE       LYS   9  -7.536   7.195  -5.623
   75   2HE   LYS   9          1HE       LYS   9  -7.550   5.892  -6.811
   76   1HZ   LYS   9          1HZ       LYS   9  -9.819   7.611  -5.984
   77   2HZ   LYS   9          2HZ       LYS   9 -10.020   6.203  -6.900
   78   3HZ   LYS   9          3HZ       LYS   9  -9.114   7.491  -7.519
   79    H    VAL  10           H        VAL  10  -9.145   3.897  -1.167
   80    HA   VAL  10           HA       VAL  10 -11.231   2.953   0.684
   81    HB   VAL  10           HB       VAL  10  -9.772   1.322  -1.392
   82   1HG1  VAL  10          1HG1      VAL  10 -11.831  -0.209  -0.413
   83   2HG1  VAL  10          2HG1      VAL  10 -11.210   0.590   1.030
   84   3HG1  VAL  10          3HG1      VAL  10 -10.129  -0.369   0.020
   85   1HG2  VAL  10          1HG2      VAL  10 -11.414   1.931  -2.764
   86   2HG2  VAL  10          2HG2      VAL  10 -12.235   2.807  -1.473
   87   3HG2  VAL  10          3HG2      VAL  10 -12.543   1.087  -1.705
   88    H    LEU  11           H        LEU  11  -8.154   3.916   0.450
   89    HA   LEU  11           HA       LEU  11  -6.234   2.422   1.294
   90   1HB   LEU  11          2HB       LEU  11  -5.947   4.114   3.327
   91   2HB   LEU  11          1HB       LEU  11  -5.650   4.570   1.661
   92    HG   LEU  11           HG       LEU  11  -7.783   5.661   1.500
   93   1HD1  LEU  11          1HD1      LEU  11  -8.302   4.565   4.257
   94   2HD1  LEU  11          2HD1      LEU  11  -9.151   4.149   2.769
   95   3HD1  LEU  11          3HD1      LEU  11  -9.306   5.769   3.449
   96   1HD2  LEU  11          1HD2      LEU  11  -7.366   6.911   3.991
   97   2HD2  LEU  11          2HD2      LEU  11  -6.799   7.432   2.404
   98   3HD2  LEU  11          3HD2      LEU  11  -5.784   6.395   3.406
   99    H    ILE  12           H        ILE  12  -6.262   0.543   2.301
  100    HA   ILE  12           HA       ILE  12  -7.531   0.384   4.947
  101    HB   ILE  12           HB       ILE  12  -7.435  -2.224   4.160
  102   1HG1  ILE  12          2HG1      ILE  12  -8.937  -1.677   1.889
  103   2HG1  ILE  12          1HG1      ILE  12  -7.532  -0.637   1.717
  104   1HG2  ILE  12          1HG2      ILE  12  -9.820  -0.458   3.734
  105   2HG2  ILE  12          2HG2      ILE  12  -9.234  -0.953   5.323
  106   3HG2  ILE  12          3HG2      ILE  12  -9.794  -2.166   4.172
  107   1HD1  ILE  12          1HD1      ILE  12  -6.141  -2.702   2.217
  108   2HD1  ILE  12          2HD1      ILE  12  -6.955  -2.630   0.653
  109   3HD1  ILE  12          3HD1      ILE  12  -7.624  -3.618   1.952
  110    H    ARG  13           H        ARG  13  -5.806   0.499   6.301
  111    HA   ARG  13           HA       ARG  13  -3.211  -0.301   5.856
  112   1HB   ARG  13          2HB       ARG  13  -4.549   0.692   8.004
  113   2HB   ARG  13          1HB       ARG  13  -4.266  -0.955   8.544
  114   1HG   ARG  13          2HG       ARG  13  -1.942  -0.709   8.462
  115   2HG   ARG  13          1HG       ARG  13  -2.044   0.748   7.473
  116   1HD   ARG  13          2HD       ARG  13  -2.095   2.027   9.288
  117   2HD   ARG  13          1HD       ARG  13  -3.492   1.147   9.909
  118    HE   ARG  13           HE       ARG  13  -1.218  -0.396  10.396
  119   1HH1  ARG  13          1HH1      ARG  13  -2.596   2.648  11.381
  120   2HH1  ARG  13          2HH1      ARG  13  -1.854   2.626  12.946
  121   1HH2  ARG  13          1HH2      ARG  13  -0.235  -0.434  12.456
  122   2HH2  ARG  13          2HH2      ARG  13  -0.514   0.874  13.557
  123    H    SER  14           H        SER  14  -6.044  -2.145   6.441
  124    HA   SER  14           HA       SER  14  -5.812  -4.490   7.350
  125   1HB   SER  14          2HB       SER  14  -7.546  -4.178   5.761
  126   2HB   SER  14          1HB       SER  14  -6.392  -4.004   4.439
  127    HG   SER  14           HG       SER  14  -6.805  -6.060   4.189
  128    H    ARG  15           H        ARG  15  -4.663  -4.768   4.083
  129    HA   ARG  15           HA       ARG  15  -1.972  -5.289   4.568
  130   1HB   ARG  15          2HB       ARG  15  -2.127  -7.855   4.242
  131   2HB   ARG  15          1HB       ARG  15  -2.401  -7.190   5.847
  132   1HG   ARG  15          2HG       ARG  15  -4.321  -8.281   5.894
  133   2HG   ARG  15          1HG       ARG  15  -4.905  -7.207   4.623
  134   1HD   ARG  15          2HD       ARG  15  -3.572  -8.904   3.090
  135   2HD   ARG  15          1HD       ARG  15  -3.880  -9.990   4.444
  136    HE   ARG  15           HE       ARG  15  -6.227  -8.599   3.569
  137   1HH1  ARG  15          1HH1      ARG  15  -4.171 -11.347   2.974
  138   2HH1  ARG  15          2HH1      ARG  15  -5.419 -12.281   2.216
  139   1HH2  ARG  15          1HH2      ARG  15  -7.877  -9.818   2.574
  140   2HH2  ARG  15          2HH2      ARG  15  -7.526 -11.410   1.986
  141    H    SER  16           H        SER  16  -3.697  -4.121   2.660
  142    HA   SER  16           HA       SER  16  -2.429  -5.042   0.281
  143   1HB   SER  16          2HB       SER  16  -5.391  -5.352   0.064
  144   2HB   SER  16          1HB       SER  16  -4.109  -6.134  -0.861
  145    HG   SER  16           HG       SER  16  -4.872  -6.686   1.816
  146    H    ASN  17           H        ASN  17  -2.458  -2.557   1.418
  147    HA   ASN  17           HA       ASN  17  -3.596  -1.013  -0.732
  148   1HB   ASN  17          2HB       ASN  17  -4.966  -1.251   1.776
  149   2HB   ASN  17          1HB       ASN  17  -4.432   0.411   1.550
  150   1HD2  ASN  17          1HD2      ASN  17  -5.236  -1.802  -1.042
  151   2HD2  ASN  17          2HD2      ASN  17  -6.644  -0.961  -1.579
  152    H    CYS  18           H        CYS  18  -2.694   0.993  -0.986
  153    HA   CYS  18           HA       CYS  18  -0.387   1.606   0.736
  154   1HB   CYS  18          2HB       CYS  18  -0.287   2.817  -1.910
  155   2HB   CYS  18          1HB       CYS  18   0.927   1.869  -1.084
  156    HA   PRO  19           HA       PRO  19  -2.999   5.168   1.614
  157   1HB   PRO  19          2HB       PRO  19  -1.296   6.228   3.474
  158   2HB   PRO  19          1HB       PRO  19  -2.465   4.952   3.828
  159   1HG   PRO  19          2HG       PRO  19   0.461   4.729   3.231
  160   2HG   PRO  19          1HG       PRO  19  -0.496   3.893   4.471
  161   1HD   PRO  19          2HD       PRO  19   0.190   2.682   2.176
  162   2HD   PRO  19          1HD       PRO  19  -1.380   2.384   2.949
  163    H    LYS  20           H        LYS  20  -2.765   7.467   1.385
  164    HA   LYS  20           HA       LYS  20  -1.612   8.439  -0.821
  165   1HB   LYS  20          2HB       LYS  20  -1.449  10.667   0.329
  166   2HB   LYS  20          1HB       LYS  20  -3.006   9.863   0.500
  167   1HG   LYS  20          2HG       LYS  20  -2.329   9.074   2.728
  168   2HG   LYS  20          1HG       LYS  20  -0.810   9.954   2.554
  169   1HD   LYS  20          2HD       LYS  20  -3.422  11.379   2.224
  170   2HD   LYS  20          1HD       LYS  20  -2.788  11.052   3.838
  171   1HE   LYS  20          2HE       LYS  20  -0.760  12.140   2.073
  172   2HE   LYS  20          1HE       LYS  20  -2.155  13.208   2.208
  173   1HZ   LYS  20          1HZ       LYS  20  -0.229  12.401   4.249
  174   2HZ   LYS  20          2HZ       LYS  20  -1.828  12.639   4.747
  175   3HZ   LYS  20          3HZ       LYS  20  -0.979  13.898   4.001
  176    H    GLY  21           H        GLY  21   0.332   9.338  -1.481
  177   1HA   GLY  21          2HA       GLY  21   2.641   9.136  -1.681
  178   2HA   GLY  21          1HA       GLY  21   2.560  10.066  -0.192
  179    H    LYS  22           H        LYS  22   2.591   6.749  -1.452
  180    HA   LYS  22           HA       LYS  22   4.322   5.969   0.739
  181   1HB   LYS  22          2HB       LYS  22   2.962   4.333   1.643
  182   2HB   LYS  22          1HB       LYS  22   1.786   5.574   1.280
  183   1HG   LYS  22          2HG       LYS  22   2.358   3.074  -0.282
  184   2HG   LYS  22          1HG       LYS  22   0.900   3.467   0.633
  185   1HD   LYS  22          2HD       LYS  22   0.060   4.310  -1.234
  186   2HD   LYS  22          1HD       LYS  22   1.252   5.590  -1.111
  187   1HE   LYS  22          2HE       LYS  22   2.649   3.443  -2.176
  188   2HE   LYS  22          1HE       LYS  22   1.093   3.421  -3.006
  189   1HZ   LYS  22          1HZ       LYS  22   3.044   5.641  -2.870
  190   2HZ   LYS  22          2HZ       LYS  22   1.459   5.849  -3.419
  191   3HZ   LYS  22          3HZ       LYS  22   2.511   4.812  -4.244
  192    H    VAL  23           H        VAL  23   4.425   3.272   0.262
  193    HA   VAL  23           HA       VAL  23   4.559   2.673  -2.513
  194    HB   VAL  23           HB       VAL  23   7.291   2.383  -1.564
  195   1HG1  VAL  23          1HG1      VAL  23   5.833   2.755  -3.966
  196   2HG1  VAL  23          2HG1      VAL  23   7.537   2.347  -3.767
  197   3HG1  VAL  23          3HG1      VAL  23   7.040   4.038  -3.858
  198   1HG2  VAL  23          1HG2      VAL  23   6.461   5.218  -2.103
  199   2HG2  VAL  23          2HG2      VAL  23   7.984   4.615  -1.448
  200   3HG2  VAL  23          3HG2      VAL  23   6.522   4.572  -0.463
  201    H    TRP  24           H        TRP  24   4.841   0.455  -2.871
  202    HA   TRP  24           HA       TRP  24   4.406  -1.147  -0.563
  203   1HB   TRP  24          2HB       TRP  24   3.216  -1.840  -2.431
  204   2HB   TRP  24          1HB       TRP  24   4.606  -1.651  -3.468
  205    HD1  TRP  24           HD       TRP  24   6.234  -3.718  -3.738
  206    HE1  TRP  24           1HE      TRP  24   6.001  -6.201  -3.124
  207    HE3  TRP  24           3HE      TRP  24   2.326  -3.352  -0.509
  208    HZ2  TRP  24           2HZ      TRP  24   4.356  -7.798  -1.486
  209    HZ3  TRP  24           3HZ      TRP  24   1.495  -5.409   0.559
  210    HH2  TRP  24           HH       TRP  24   2.475  -7.578   0.078
  211    H    ASN  25           H        ASN  25   5.537  -3.139  -0.214
  212    HA   ASN  25           HA       ASN  25   8.396  -3.115  -0.788
  213   1HB   ASN  25          2HB       ASN  25   7.841  -1.848   1.402
  214   2HB   ASN  25          1HB       ASN  25   7.453  -3.435   2.057
  215   1HD2  ASN  25          1HD2      ASN  25   9.034  -4.450   3.031
  216   2HD2  ASN  25          2HD2      ASN  25  10.724  -4.189   2.784
  217    H    GLY  26           H        GLY  26   9.319  -5.179   0.502
  218   1HA   GLY  26          2HA       GLY  26   8.734  -7.434  -0.699
  219   2HA   GLY  26          1HA       GLY  26   9.086  -7.445   1.018
  220    H    PHE  27           H        PHE  27   6.549  -6.150   1.818
  221    HA   PHE  27           HA       PHE  27   4.447  -7.764   0.788
  222   1HB   PHE  27          2HB       PHE  27   4.054  -9.180   2.641
  223   2HB   PHE  27          1HB       PHE  27   5.764  -9.333   2.252
  224    HD1  PHE  27           1HD      PHE  27   3.357  -8.515   4.772
  225    HD2  PHE  27           2HD      PHE  27   7.433  -8.049   3.641
  226    HE1  PHE  27           1HE      PHE  27   3.933  -7.950   7.096
  227    HE2  PHE  27           2HE      PHE  27   8.016  -7.484   5.965
  228    HZ   PHE  27           HZ       PHE  27   6.265  -7.435   7.694
  229    H    ASP  28           H        ASP  28   4.625  -4.986   1.026
  230    HA   ASP  28           HA       ASP  28   2.237  -4.431   2.500
  231   1HB   ASP  28          2HB       ASP  28   4.859  -3.720   3.729
  232   2HB   ASP  28          1HB       ASP  28   3.459  -2.684   3.983
  233    H    CYS  29           H        CYS  29   1.303  -2.525   1.902
  234    HA   CYS  29           HA       CYS  29   2.772  -0.917  -0.052
  235   1HB   CYS  29          2HB       CYS  29   0.119  -1.903   0.063
  236   2HB   CYS  29          1HB       CYS  29   0.053  -0.148   0.141
  237    H    LYS  30           H        LYS  30   3.955   0.389   1.315
  238    HA   LYS  30           HA       LYS  30   2.609   2.679   2.366
  239   1HB   LYS  30          2HB       LYS  30   3.198   0.466   4.109
  240   2HB   LYS  30          1HB       LYS  30   4.066   1.902   4.620
  241   1HG   LYS  30          2HG       LYS  30   2.211   2.485   5.669
  242   2HG   LYS  30          1HG       LYS  30   1.582   2.889   4.075
  243   1HD   LYS  30          2HD       LYS  30   0.202   1.360   5.670
  244   2HD   LYS  30          1HD       LYS  30   0.290   0.983   3.955
  245   1HE   LYS  30          2HE       LYS  30   1.468  -0.915   4.300
  246   2HE   LYS  30          1HE       LYS  30   2.399  -0.218   5.626
  247   1HZ   LYS  30          1HZ       LYS  30   0.236  -0.398   6.936
  248   2HZ   LYS  30          2HZ       LYS  30   1.080  -1.830   6.629
  249   3HZ   LYS  30          3HZ       LYS  30  -0.287  -1.443   5.714
  250    H    SER  31           H        SER  31   4.062   4.421   2.878
  251    HA   SER  31           HA       SER  31   6.312   4.687   1.387
  252   1HB   SER  31          2HB       SER  31   6.752   6.016   3.917
  253   2HB   SER  31          1HB       SER  31   6.359   6.717   2.346
  254    HG   SER  31           HG       SER  31   4.361   6.926   2.960
  255    HA   PRO  32           HA       PRO  32   8.912   1.373   2.984
  256   1HB   PRO  32          2HB       PRO  32  10.850   3.075   1.471
  257   2HB   PRO  32          1HB       PRO  32  10.655   1.317   1.463
  258   1HG   PRO  32          2HG       PRO  32   9.704   2.799  -0.536
  259   2HG   PRO  32          1HG       PRO  32   8.805   1.394   0.066
  260   1HD   PRO  32          2HD       PRO  32   8.269   4.293   0.444
  261   2HD   PRO  32          1HD       PRO  32   7.133   2.931   0.383
  262    H    PHE  33           H        PHE  33   9.363   4.806   3.323
  263    HA   PHE  33           HA       PHE  33  11.609   5.091   4.812
  264   1HB   PHE  33          2HB       PHE  33   9.111   6.352   5.869
  265   2HB   PHE  33          1HB       PHE  33  10.715   7.050   5.675
  266    HD1  PHE  33           1HD      PHE  33  11.195   6.292   2.819
  267    HD2  PHE  33           2HD      PHE  33   7.786   7.934   4.764
  268    HE1  PHE  33           1HE      PHE  33  10.487   7.317   0.700
  269    HE2  PHE  33           2HE      PHE  33   7.070   8.965   2.647
  270    HZ   PHE  33           HZ       PHE  33   8.422   8.656   0.610
  271    H    ALA  34           H        ALA  34   8.634   3.542   5.730
  272    HA   ALA  34           HA       ALA  34   9.750   2.955   8.393
  273   1HB   ALA  34          1HB       ALA  34   7.691   3.127   9.295
  274   2HB   ALA  34          2HB       ALA  34   6.906   2.376   7.905
  275   3HB   ALA  34          3HB       ALA  34   7.354   4.081   7.850
  276    H    PHE  35           H        PHE  35  10.738   1.493   6.292
  277    HA   PHE  35           HA       PHE  35   9.845  -1.173   7.016
  278   1HB   PHE  35          2HB       PHE  35   9.625  -0.053   4.237
  279   2HB   PHE  35          1HB       PHE  35   9.894  -1.773   4.486
  280    HD1  PHE  35           1HD      PHE  35   8.179  -1.907   7.070
  281    HD2  PHE  35           2HD      PHE  35   7.503  -0.290   3.189
  282    HE1  PHE  35           1HE      PHE  35   5.761  -2.237   7.357
  283    HE2  PHE  35           2HE      PHE  35   5.082  -0.618   3.473
  284    HZ   PHE  35           HZ       PHE  35   4.207  -1.592   5.559
  285    H    SER  36           H        SER  36  12.266   0.630   7.191
  286    HA   SER  36           HA       SER  36  14.218  -1.386   6.832
  287   1HB   SER  36          2HB       SER  36  13.685   0.201   4.524
  288   2HB   SER  36          1HB       SER  36  15.277   0.648   5.138
  289    HG   SER  36           HG       SER  36  15.168  -1.192   3.631
  Start of MODEL    7
    1   1H    GLU   1          1HT       GLU   1  -1.387 -10.533  -5.591
    2   2H    GLU   1          2HT       GLU   1  -2.322 -10.994  -6.955
    3   3H    GLU   1          3HT       GLU   1  -2.587 -11.747  -5.435
    4    HA   GLU   1           HA       GLU   1  -4.262 -10.106  -6.035
    5   1HB   GLU   1          2HB       GLU   1  -2.566  -9.422  -3.625
    6   2HB   GLU   1          1HB       GLU   1  -4.286  -9.111  -3.818
    7   1HG   GLU   1          2HG       GLU   1  -4.646 -11.040  -2.794
    8   2HG   GLU   1          1HG       GLU   1  -4.038 -11.835  -4.246
    9    H    LEU   2           H        LEU   2  -4.357  -8.521  -7.467
   10    HA   LEU   2           HA       LEU   2  -2.629  -6.852  -8.532
   11   1HB   LEU   2          2HB       LEU   2  -4.558  -5.011  -8.218
   12   2HB   LEU   2          1HB       LEU   2  -4.643  -6.322  -9.377
   13    HG   LEU   2           HG       LEU   2  -6.695  -5.811  -7.884
   14   1HD1  LEU   2          1HD1      LEU   2  -5.730  -8.121  -9.135
   15   2HD1  LEU   2          2HD1      LEU   2  -7.397  -7.738  -8.708
   16   3HD1  LEU   2          3HD1      LEU   2  -6.383  -8.643  -7.583
   17   1HD2  LEU   2          1HD2      LEU   2  -6.154  -7.687  -5.890
   18   2HD2  LEU   2          2HD2      LEU   2  -6.389  -5.952  -5.691
   19   3HD2  LEU   2          3HD2      LEU   2  -4.765  -6.602  -5.896
   20    HA   PRO   3           HA       PRO   3  -0.554  -5.163  -4.798
   21   1HB   PRO   3          2HB       PRO   3   0.672  -3.776  -7.156
   22   2HB   PRO   3          1HB       PRO   3   1.450  -4.411  -5.700
   23   1HG   PRO   3          2HG       PRO   3   1.521  -5.756  -8.016
   24   2HG   PRO   3          1HG       PRO   3   1.397  -6.591  -6.457
   25   1HD   PRO   3          2HD       PRO   3  -0.636  -6.245  -8.571
   26   2HD   PRO   3          1HD       PRO   3  -0.528  -7.476  -7.298
   27    H    LYS   4           H        LYS   4  -1.915  -3.779  -3.795
   28    HA   LYS   4           HA       LYS   4  -3.468  -1.807  -5.003
   29   1HB   LYS   4          2HB       LYS   4  -2.435  -1.839  -2.166
   30   2HB   LYS   4          1HB       LYS   4  -3.782  -0.888  -2.760
   31   1HG   LYS   4          2HG       LYS   4  -4.889  -2.634  -1.811
   32   2HG   LYS   4          1HG       LYS   4  -4.749  -3.197  -3.471
   33   1HD   LYS   4          2HD       LYS   4  -4.166  -4.776  -1.455
   34   2HD   LYS   4          1HD       LYS   4  -3.214  -4.816  -2.937
   35   1HE   LYS   4          2HE       LYS   4  -1.468  -3.556  -1.959
   36   2HE   LYS   4          1HE       LYS   4  -2.463  -3.115  -0.573
   37   1HZ   LYS   4          1HZ       LYS   4  -2.291  -5.927  -0.788
   38   2HZ   LYS   4          2HZ       LYS   4  -1.798  -4.928   0.483
   39   3HZ   LYS   4          3HZ       LYS   4  -0.734  -5.265  -0.788
   40    H    LEU   5           H        LEU   5  -3.302   0.408  -5.158
   41    HA   LEU   5           HA       LEU   5  -0.848   1.741  -4.423
   42   1HB   LEU   5          2HB       LEU   5  -1.372   2.503  -7.132
   43   2HB   LEU   5          1HB       LEU   5   0.105   1.882  -6.427
   44    HG   LEU   5           HG       LEU   5  -1.471  -0.387  -6.767
   45   1HD1  LEU   5          1HD1      LEU   5  -2.288  -0.340  -9.001
   46   2HD1  LEU   5          2HD1      LEU   5  -1.646   1.281  -9.263
   47   3HD1  LEU   5          3HD1      LEU   5  -2.990   1.034  -8.148
   48   1HD2  LEU   5          1HD2      LEU   5   0.557   0.621  -8.740
   49   2HD2  LEU   5          2HD2      LEU   5   0.197  -1.047  -8.294
   50   3HD2  LEU   5          3HD2      LEU   5   0.998   0.021  -7.142
   51    HA   PRO   6           HA       PRO   6  -4.579   4.529  -4.662
   52   1HB   PRO   6          2HB       PRO   6  -6.079   3.927  -2.534
   53   2HB   PRO   6          1HB       PRO   6  -6.164   2.961  -4.007
   54   1HG   PRO   6          2HG       PRO   6  -5.002   2.273  -1.393
   55   2HG   PRO   6          1HG       PRO   6  -5.529   1.205  -2.703
   56   1HD   PRO   6          2HD       PRO   6  -2.850   2.153  -2.085
   57   2HD   PRO   6          1HD       PRO   6  -3.359   0.932  -3.262
   58    H    ASP   7           H        ASP   7  -5.495   6.041  -2.744
   59    HA   ASP   7           HA       ASP   7  -3.976   6.473  -0.451
   60   1HB   ASP   7          2HB       ASP   7  -2.782   8.605  -1.276
   61   2HB   ASP   7          1HB       ASP   7  -2.062   7.045  -1.660
   62    H    ASP   8           H        ASP   8  -5.266   8.548  -3.040
   63    HA   ASP   8           HA       ASP   8  -6.676  10.143  -1.060
   64   1HB   ASP   8          2HB       ASP   8  -6.175  10.433  -4.010
   65   2HB   ASP   8          1HB       ASP   8  -7.361  11.442  -3.188
   66    H    LYS   9           H        LYS   9  -7.333   7.366  -2.756
   67    HA   LYS   9           HA       LYS   9 -10.227   7.879  -2.573
   68   1HB   LYS   9          2HB       LYS   9 -10.569   6.473  -4.560
   69   2HB   LYS   9          1HB       LYS   9  -9.586   7.884  -4.928
   70   1HG   LYS   9          2HG       LYS   9  -7.632   6.153  -4.389
   71   2HG   LYS   9          1HG       LYS   9  -8.870   5.018  -4.929
   72   1HD   LYS   9          2HD       LYS   9  -7.589   5.630  -6.841
   73   2HD   LYS   9          1HD       LYS   9  -9.149   6.443  -6.976
   74   1HE   LYS   9          2HE       LYS   9  -8.005   8.443  -5.878
   75   2HE   LYS   9          1HE       LYS   9  -6.488   7.612  -6.215
   76   1HZ   LYS   9          1HZ       LYS   9  -8.317   7.836  -8.454
   77   2HZ   LYS   9          2HZ       LYS   9  -6.639   8.042  -8.401
   78   3HZ   LYS   9          3HZ       LYS   9  -7.662   9.298  -7.909
   79    H    VAL  10           H        VAL  10  -7.653   6.070  -1.507
   80    HA   VAL  10           HA       VAL  10  -9.237   4.307  -0.027
   81    HB   VAL  10           HB       VAL  10  -7.623   2.479  -1.402
   82   1HG1  VAL  10          1HG1      VAL  10  -9.473   1.543  -0.493
   83   2HG1  VAL  10          2HG1      VAL  10 -10.085   1.766  -2.133
   84   3HG1  VAL  10          3HG1      VAL  10 -10.489   2.933  -0.874
   85   1HG2  VAL  10          1HG2      VAL  10  -7.771   4.240  -3.249
   86   2HG2  VAL  10          2HG2      VAL  10  -9.473   3.794  -3.363
   87   3HG2  VAL  10          3HG2      VAL  10  -8.224   2.588  -3.670
   88    H    LEU  11           H        LEU  11  -8.141   4.264   1.755
   89    HA   LEU  11           HA       LEU  11  -5.284   3.690   1.721
   90   1HB   LEU  11          2HB       LEU  11  -4.842   5.442   3.404
   91   2HB   LEU  11          1HB       LEU  11  -5.322   6.078   1.843
   92    HG   LEU  11           HG       LEU  11  -7.296   5.745   4.086
   93   1HD1  LEU  11          1HD1      LEU  11  -6.375   8.456   3.652
   94   2HD1  LEU  11          2HD1      LEU  11  -5.085   7.398   4.224
   95   3HD1  LEU  11          3HD1      LEU  11  -6.574   7.555   5.156
   96   1HD2  LEU  11          1HD2      LEU  11  -8.290   7.728   2.751
   97   2HD2  LEU  11          2HD2      LEU  11  -8.455   6.093   2.108
   98   3HD2  LEU  11          3HD2      LEU  11  -7.223   7.174   1.459
   99    H    ILE  12           H        ILE  12  -6.943   1.752   2.318
  100    HA   ILE  12           HA       ILE  12  -7.458   1.691   5.181
  101    HB   ILE  12           HB       ILE  12  -8.115  -0.780   4.532
  102   1HG1  ILE  12          2HG1      ILE  12  -9.126   0.291   2.009
  103   2HG1  ILE  12          1HG1      ILE  12  -7.382   0.099   2.037
  104   1HG2  ILE  12          1HG2      ILE  12 -10.017   1.324   3.633
  105   2HG2  ILE  12          2HG2      ILE  12  -9.506   1.241   5.320
  106   3HG2  ILE  12          3HG2      ILE  12 -10.314  -0.138   4.574
  107   1HD1  ILE  12          1HD1      ILE  12  -9.029  -2.151   3.015
  108   2HD1  ILE  12          2HD1      ILE  12  -7.480  -2.161   2.172
  109   3HD1  ILE  12          3HD1      ILE  12  -8.968  -1.847   1.279
  110    H    ARG  13           H        ARG  13  -5.815   1.211   6.478
  111    HA   ARG  13           HA       ARG  13  -3.452  -0.111   5.712
  112   1HB   ARG  13          2HB       ARG  13  -4.624   0.933   8.152
  113   2HB   ARG  13          1HB       ARG  13  -3.809  -0.594   8.454
  114   1HG   ARG  13          2HG       ARG  13  -1.748   0.271   7.586
  115   2HG   ARG  13          1HG       ARG  13  -2.544   1.766   7.084
  116   1HD   ARG  13          2HD       ARG  13  -2.250   0.772   9.909
  117   2HD   ARG  13          1HD       ARG  13  -1.323   2.076   9.173
  118    HE   ARG  13           HE       ARG  13  -3.581   3.189   8.890
  119   1HH1  ARG  13          1HH1      ARG  13  -2.889   1.007  11.546
  120   2HH1  ARG  13          2HH1      ARG  13  -4.078   1.714  12.582
  121   1HH2  ARG  13          1HH2      ARG  13  -5.137   4.096  10.265
  122   2HH2  ARG  13          2HH2      ARG  13  -5.349   3.460  11.861
  123    H    SER  14           H        SER  14  -6.552  -1.142   6.738
  124    HA   SER  14           HA       SER  14  -6.813  -3.436   7.762
  125   1HB   SER  14          2HB       SER  14  -7.809  -2.516   5.160
  126   2HB   SER  14          1HB       SER  14  -7.885  -4.262   5.391
  127    HG   SER  14           HG       SER  14  -9.522  -2.435   6.357
  128    H    ARG  15           H        ARG  15  -6.212  -4.085   4.387
  129    HA   ARG  15           HA       ARG  15  -3.726  -5.375   4.702
  130   1HB   ARG  15          2HB       ARG  15  -4.267  -7.663   4.797
  131   2HB   ARG  15          1HB       ARG  15  -5.281  -6.911   6.020
  132   1HG   ARG  15          2HG       ARG  15  -6.381  -7.281   3.278
  133   2HG   ARG  15          1HG       ARG  15  -6.258  -8.674   4.352
  134   1HD   ARG  15          2HD       ARG  15  -7.679  -7.689   5.955
  135   2HD   ARG  15          1HD       ARG  15  -7.556  -6.101   5.198
  136    HE   ARG  15           HE       ARG  15  -9.237  -6.699   3.772
  137   1HH1  ARG  15          1HH1      ARG  15  -7.908  -9.574   5.218
  138   2HH1  ARG  15          2HH1      ARG  15  -9.109 -10.625   4.547
  139   1HH2  ARG  15          1HH2      ARG  15 -10.827  -8.074   2.883
  140   2HH2  ARG  15          2HH2      ARG  15 -10.768  -9.773   3.216
  141    H    SER  16           H        SER  16  -5.145  -3.668   2.919
  142    HA   SER  16           HA       SER  16  -4.248  -4.768   0.461
  143   1HB   SER  16          2HB       SER  16  -7.110  -4.285   0.092
  144   2HB   SER  16          1HB       SER  16  -6.100  -5.598  -0.512
  145    HG   SER  16           HG       SER  16  -6.411  -6.707   1.361
  146    H    ASN  17           H        ASN  17  -3.380  -2.488   1.295
  147    HA   ASN  17           HA       ASN  17  -4.222  -0.625  -0.631
  148   1HB   ASN  17          2HB       ASN  17  -5.783  -0.682   1.725
  149   2HB   ASN  17          1HB       ASN  17  -4.834   0.796   1.756
  150   1HD2  ASN  17          1HD2      ASN  17  -5.995  -0.878  -1.112
  151   2HD2  ASN  17          2HD2      ASN  17  -7.067   0.372  -1.633
  152    H    CYS  18           H        CYS  18  -3.288   1.585  -0.219
  153    HA   CYS  18           HA       CYS  18  -0.912   1.542   1.488
  154   1HB   CYS  18          2HB       CYS  18  -0.383   2.801  -1.092
  155   2HB   CYS  18          1HB       CYS  18   0.583   1.634  -0.205
  156    HA   PRO  19           HA       PRO  19  -2.502   5.524   2.618
  157   1HB   PRO  19          2HB       PRO  19   0.372   6.078   3.185
  158   2HB   PRO  19          1HB       PRO  19  -1.039   6.272   4.232
  159   1HG   PRO  19          2HG       PRO  19   0.626   4.245   4.606
  160   2HG   PRO  19          1HG       PRO  19  -1.126   4.004   4.747
  161   1HD   PRO  19          2HD       PRO  19   0.707   3.295   2.494
  162   2HD   PRO  19          1HD       PRO  19  -0.646   2.369   3.174
  163    H    LYS  20           H        LYS  20  -0.936   7.849   2.492
  164    HA   LYS  20           HA       LYS  20  -1.126   8.437  -0.335
  165   1HB   LYS  20          2HB       LYS  20  -0.653  10.759   0.383
  166   2HB   LYS  20          1HB       LYS  20  -2.003  10.046   1.257
  167   1HG   LYS  20          2HG       LYS  20  -0.611   9.633   3.173
  168   2HG   LYS  20          1HG       LYS  20   0.813  10.205   2.301
  169   1HD   LYS  20          2HD       LYS  20  -0.572  12.392   2.012
  170   2HD   LYS  20          1HD       LYS  20  -1.512  11.765   3.366
  171   1HE   LYS  20          2HE       LYS  20   1.404  11.666   3.720
  172   2HE   LYS  20          1HE       LYS  20   0.722  13.288   3.612
  173   1HZ   LYS  20          1HZ       LYS  20   0.618  11.447   5.767
  174   2HZ   LYS  20          2HZ       LYS  20  -0.945  11.892   5.300
  175   3HZ   LYS  20          3HZ       LYS  20   0.176  13.080   5.735
  176    H    GLY  21           H        GLY  21   0.553   8.937  -1.698
  177   1HA   GLY  21          2HA       GLY  21   2.701   8.585  -2.511
  178   2HA   GLY  21          1HA       GLY  21   3.096   9.728  -1.233
  179    H    LYS  22           H        LYS  22   2.242   6.298  -1.511
  180    HA   LYS  22           HA       LYS  22   4.265   5.684   0.514
  181   1HB   LYS  22          2HB       LYS  22   2.883   3.393   0.296
  182   2HB   LYS  22          1HB       LYS  22   2.388   4.712   1.350
  183   1HG   LYS  22          2HG       LYS  22   0.517   3.879   0.063
  184   2HG   LYS  22          1HG       LYS  22   0.896   5.542  -0.379
  185   1HD   LYS  22          2HD       LYS  22   0.443   4.226  -2.374
  186   2HD   LYS  22          1HD       LYS  22   2.130   4.737  -2.347
  187   1HE   LYS  22          2HE       LYS  22   2.106   2.287  -1.032
  188   2HE   LYS  22          1HE       LYS  22   1.011   2.083  -2.395
  189   1HZ   LYS  22          1HZ       LYS  22   2.671   2.192  -3.857
  190   2HZ   LYS  22          2HZ       LYS  22   3.648   1.793  -2.539
  191   3HZ   LYS  22          3HZ       LYS  22   3.497   3.406  -3.020
  192    H    VAL  23           H        VAL  23   4.621   3.037   0.048
  193    HA   VAL  23           HA       VAL  23   5.331   2.450  -2.638
  194    HB   VAL  23           HB       VAL  23   7.773   2.019  -1.583
  195   1HG1  VAL  23          1HG1      VAL  23   7.294   2.973  -3.753
  196   2HG1  VAL  23          2HG1      VAL  23   8.470   3.978  -2.905
  197   3HG1  VAL  23          3HG1      VAL  23   6.783   4.482  -2.997
  198   1HG2  VAL  23          1HG2      VAL  23   7.010   3.327   0.457
  199   2HG2  VAL  23          2HG2      VAL  23   7.056   4.752  -0.582
  200   3HG2  VAL  23          3HG2      VAL  23   8.529   3.826  -0.289
  201    H    TRP  24           H        TRP  24   4.784   0.328  -2.745
  202    HA   TRP  24           HA       TRP  24   4.541  -1.259  -0.445
  203   1HB   TRP  24          2HB       TRP  24   3.122  -1.899  -2.157
  204   2HB   TRP  24          1HB       TRP  24   4.382  -1.753  -3.357
  205    HD1  TRP  24           HD       TRP  24   5.923  -3.879  -3.796
  206    HE1  TRP  24           1HE      TRP  24   5.631  -6.363  -3.223
  207    HE3  TRP  24           3HE      TRP  24   2.319  -3.435  -0.252
  208    HZ2  TRP  24           2HZ      TRP  24   4.064  -7.931  -1.482
  209    HZ3  TRP  24           3HZ      TRP  24   1.494  -5.475   0.851
  210    HH2  TRP  24           HH       TRP  24   2.337  -7.672   0.242
  211    H    ASN  25           H        ASN  25   5.556  -3.366  -0.219
  212    HA   ASN  25           HA       ASN  25   8.339  -3.525  -1.080
  213   1HB   ASN  25          2HB       ASN  25   8.031  -2.279   1.203
  214   2HB   ASN  25          1HB       ASN  25   7.743  -3.896   1.837
  215   1HD2  ASN  25          1HD2      ASN  25   9.480  -4.662   2.769
  216   2HD2  ASN  25          2HD2      ASN  25  11.105  -4.480   2.215
  217    H    GLY  26           H        GLY  26   9.255  -5.652   0.138
  218   1HA   GLY  26          2HA       GLY  26   8.381  -7.852  -1.025
  219   2HA   GLY  26          1HA       GLY  26   8.942  -7.907   0.635
  220    H    PHE  27           H        PHE  27   6.593  -6.400   1.691
  221    HA   PHE  27           HA       PHE  27   4.280  -7.888   0.958
  222   1HB   PHE  27          2HB       PHE  27   5.956  -8.796   3.210
  223   2HB   PHE  27          1HB       PHE  27   4.225  -8.725   3.521
  224    HD1  PHE  27           1HD      PHE  27   6.871 -10.636   2.154
  225    HD2  PHE  27           2HD      PHE  27   2.694  -9.902   1.814
  226    HE1  PHE  27           1HE      PHE  27   6.589 -12.798   1.015
  227    HE2  PHE  27           2HE      PHE  27   2.402 -12.064   0.677
  228    HZ   PHE  27           HZ       PHE  27   4.353 -13.515   0.274
  229    H    ASP  28           H        ASP  28   4.603  -5.139   1.074
  230    HA   ASP  28           HA       ASP  28   2.483  -4.422   2.848
  231   1HB   ASP  28          2HB       ASP  28   5.280  -3.860   3.695
  232   2HB   ASP  28          1HB       ASP  28   4.021  -2.688   4.064
  233    H    CYS  29           H        CYS  29   1.469  -2.691   2.067
  234    HA   CYS  29           HA       CYS  29   2.833  -1.104   0.012
  235   1HB   CYS  29          2HB       CYS  29   0.462  -2.370  -0.112
  236   2HB   CYS  29          1HB       CYS  29  -0.056  -0.797   0.474
  237    H    LYS  30           H        LYS  30   3.926   0.428   1.271
  238    HA   LYS  30           HA       LYS  30   2.353   2.655   2.087
  239   1HB   LYS  30          2HB       LYS  30   3.932   2.065   4.440
  240   2HB   LYS  30          1HB       LYS  30   2.252   2.551   4.309
  241   1HG   LYS  30          2HG       LYS  30   2.841  -0.241   3.615
  242   2HG   LYS  30          1HG       LYS  30   3.062   0.218   5.301
  243   1HD   LYS  30          2HD       LYS  30   0.846   0.647   5.630
  244   2HD   LYS  30          1HD       LYS  30   0.573   1.105   3.949
  245   1HE   LYS  30          2HE       LYS  30   0.009  -0.980   3.362
  246   2HE   LYS  30          1HE       LYS  30   1.345  -1.687   4.268
  247   1HZ   LYS  30          1HZ       LYS  30  -0.015  -1.320   6.308
  248   2HZ   LYS  30          2HZ       LYS  30  -0.662  -2.454   5.232
  249   3HZ   LYS  30          3HZ       LYS  30  -1.316  -0.896   5.311
  250    H    SER  31           H        SER  31   3.720   4.374   3.137
  251    HA   SER  31           HA       SER  31   5.751   5.122   1.463
  252   1HB   SER  31          2HB       SER  31   6.234   6.078   4.177
  253   2HB   SER  31          1HB       SER  31   5.811   6.986   2.725
  254    HG   SER  31           HG       SER  31   4.058   7.231   3.956
  255    HA   PRO  32           HA       PRO  32   9.432   2.988   2.485
  256   1HB   PRO  32          2HB       PRO  32  11.329   4.929   2.526
  257   2HB   PRO  32          1HB       PRO  32  10.576   4.358   1.032
  258   1HG   PRO  32          2HG       PRO  32   9.954   6.797   2.656
  259   2HG   PRO  32          1HG       PRO  32  10.085   6.628   0.895
  260   1HD   PRO  32          2HD       PRO  32   7.700   6.684   2.177
  261   2HD   PRO  32          1HD       PRO  32   7.965   5.741   0.698
  262    H    PHE  33           H        PHE  33   8.487   5.638   4.487
  263    HA   PHE  33           HA       PHE  33  10.321   5.579   6.536
  264   1HB   PHE  33          2HB       PHE  33   7.430   5.680   7.263
  265   2HB   PHE  33          1HB       PHE  33   8.759   6.688   7.821
  266    HD1  PHE  33           1HD      PHE  33   5.854   7.259   6.609
  267    HD2  PHE  33           2HD      PHE  33   9.851   7.558   5.178
  268    HE1  PHE  33           1HE      PHE  33   5.154   9.017   5.038
  269    HE2  PHE  33           2HE      PHE  33   9.158   9.320   3.605
  270    HZ   PHE  33           HZ       PHE  33   6.809  10.051   3.533
  271    H    ALA  34           H        ALA  34   7.951   3.221   5.630
  272    HA   ALA  34           HA       ALA  34   8.524   1.664   8.064
  273   1HB   ALA  34          1HB       ALA  34   6.105   2.221   6.705
  274   2HB   ALA  34          2HB       ALA  34   6.349   1.237   8.148
  275   3HB   ALA  34          3HB       ALA  34   6.421   0.493   6.551
  276    H    PHE  35           H        PHE  35  10.502   1.687   6.165
  277    HA   PHE  35           HA       PHE  35  10.761  -1.103   5.598
  278   1HB   PHE  35          2HB       PHE  35  10.551   0.795   3.247
  279   2HB   PHE  35          1HB       PHE  35  11.057  -0.889   3.151
  280    HD1  PHE  35           1HD      PHE  35   8.298   1.365   3.113
  281    HD2  PHE  35           2HD      PHE  35   9.405  -2.667   3.908
  282    HE1  PHE  35           1HE      PHE  35   5.950   0.674   2.854
  283    HE2  PHE  35           2HE      PHE  35   7.063  -3.366   3.648
  284    HZ   PHE  35           HZ       PHE  35   5.330  -1.696   3.120
  285    H    SER  36           H        SER  36  12.127   1.039   7.028
  286    HA   SER  36           HA       SER  36  14.785   0.367   6.434
  287   1HB   SER  36          2HB       SER  36  13.730   2.509   4.839
  288   2HB   SER  36          1HB       SER  36  14.974   3.144   5.915
  289    HG   SER  36           HG       SER  36  15.249   0.929   4.159
  Start of MODEL    8
    1   1H    GLU   1          1HT       GLU   1  -5.531 -13.529  -3.331
    2   2H    GLU   1          2HT       GLU   1  -5.263 -13.237  -5.000
    3   3H    GLU   1          3HT       GLU   1  -6.475 -12.361  -4.157
    4    HA   GLU   1           HA       GLU   1  -3.768 -12.220  -3.148
    5   1HB   GLU   1          2HB       GLU   1  -4.379 -11.757  -5.881
    6   2HB   GLU   1          1HB       GLU   1  -4.163 -10.182  -5.128
    7   1HG   GLU   1          2HG       GLU   1  -1.962 -10.444  -4.964
    8   2HG   GLU   1          1HG       GLU   1  -2.117 -12.086  -4.343
    9    H    LEU   2           H        LEU   2  -3.516  -9.547  -3.123
   10    HA   LEU   2           HA       LEU   2  -5.990  -8.500  -1.933
   11   1HB   LEU   2          2HB       LEU   2  -3.227  -8.456  -0.729
   12   2HB   LEU   2          1HB       LEU   2  -4.521  -7.405  -0.184
   13    HG   LEU   2           HG       LEU   2  -5.717  -9.863  -0.050
   14   1HD1  LEU   2          1HD1      LEU   2  -2.777 -10.185   0.377
   15   2HD1  LEU   2          2HD1      LEU   2  -3.917 -11.253  -0.443
   16   3HD1  LEU   2          3HD1      LEU   2  -3.922 -11.142   1.317
   17   1HD2  LEU   2          1HD2      LEU   2  -6.110  -8.891   1.910
   18   2HD2  LEU   2          2HD2      LEU   2  -4.685  -7.864   1.750
   19   3HD2  LEU   2          3HD2      LEU   2  -4.537  -9.477   2.449
   20    HA   PRO   3           HA       PRO   3  -4.911  -5.224  -4.787
   21   1HB   PRO   3          2HB       PRO   3  -7.030  -3.626  -4.191
   22   2HB   PRO   3          1HB       PRO   3  -7.153  -5.042  -5.240
   23   1HG   PRO   3          2HG       PRO   3  -7.842  -4.768  -2.339
   24   2HG   PRO   3          1HG       PRO   3  -8.746  -5.581  -3.631
   25   1HD   PRO   3          2HD       PRO   3  -7.220  -6.943  -1.872
   26   2HD   PRO   3          1HD       PRO   3  -7.400  -7.460  -3.561
   27    H    LYS   4           H        LYS   4  -3.029  -4.492  -3.718
   28    HA   LYS   4           HA       LYS   4  -3.482  -2.364  -1.734
   29   1HB   LYS   4          2HB       LYS   4  -1.186  -4.280  -2.093
   30   2HB   LYS   4          1HB       LYS   4  -1.024  -2.801  -1.154
   31   1HG   LYS   4          2HG       LYS   4  -1.752  -3.948   0.594
   32   2HG   LYS   4          1HG       LYS   4  -3.333  -3.979  -0.186
   33   1HD   LYS   4          2HD       LYS   4  -3.078  -6.212   0.031
   34   2HD   LYS   4          1HD       LYS   4  -2.162  -6.026  -1.465
   35   1HE   LYS   4          2HE       LYS   4  -1.004  -7.391   0.263
   36   2HE   LYS   4          1HE       LYS   4  -0.090  -5.978  -0.263
   37   1HZ   LYS   4          1HZ       LYS   4  -0.067  -5.196   1.797
   38   2HZ   LYS   4          2HZ       LYS   4  -0.736  -6.657   2.325
   39   3HZ   LYS   4          3HZ       LYS   4  -1.744  -5.350   1.959
   40    H    LEU   5           H        LEU   5  -3.889  -1.157  -3.881
   41    HA   LEU   5           HA       LEU   5  -1.338   0.036  -4.690
   42   1HB   LEU   5          2HB       LEU   5  -2.399   0.287  -7.001
   43   2HB   LEU   5          1HB       LEU   5  -1.773  -1.282  -6.531
   44    HG   LEU   5           HG       LEU   5  -4.389  -1.459  -5.735
   45   1HD1  LEU   5          1HD1      LEU   5  -5.486  -0.751  -8.022
   46   2HD1  LEU   5          2HD1      LEU   5  -4.184   0.440  -8.014
   47   3HD1  LEU   5          3HD1      LEU   5  -5.340   0.387  -6.683
   48   1HD2  LEU   5          1HD2      LEU   5  -4.134  -3.297  -6.945
   49   2HD2  LEU   5          2HD2      LEU   5  -2.649  -2.634  -7.627
   50   3HD2  LEU   5          3HD2      LEU   5  -4.193  -2.351  -8.431
   51    HA   PRO   6           HA       PRO   6  -4.812   3.335  -4.530
   52   1HB   PRO   6          2HB       PRO   6  -5.835   3.594  -2.069
   53   2HB   PRO   6          1HB       PRO   6  -6.508   2.450  -3.235
   54   1HG   PRO   6          2HG       PRO   6  -4.732   1.948  -0.897
   55   2HG   PRO   6          1HG       PRO   6  -6.065   0.971  -1.532
   56   1HD   PRO   6          2HD       PRO   6  -3.368   0.495  -1.996
   57   2HD   PRO   6          1HD       PRO   6  -4.720  -0.134  -2.951
   58    H    ASP   7           H        ASP   7  -4.995   5.259  -2.632
   59    HA   ASP   7           HA       ASP   7  -2.622   5.688  -1.146
   60   1HB   ASP   7          2HB       ASP   7  -1.870   7.692  -2.579
   61   2HB   ASP   7          1HB       ASP   7  -1.437   6.076  -3.126
   62    H    ASP   8           H        ASP   8  -5.408   7.105  -2.768
   63    HA   ASP   8           HA       ASP   8  -5.946   8.663  -0.362
   64   1HB   ASP   8          2HB       ASP   8  -5.466   9.829  -3.084
   65   2HB   ASP   8          1HB       ASP   8  -6.564  10.626  -1.961
   66    H    LYS   9           H        LYS   9  -7.270   6.408  -1.074
   67    HA   LYS   9           HA       LYS   9  -9.874   7.456  -1.955
   68   1HB   LYS   9          2HB       LYS   9  -8.856   4.668  -2.510
   69   2HB   LYS   9          1HB       LYS   9 -10.356   5.382  -3.085
   70   1HG   LYS   9          2HG       LYS   9  -9.255   6.770  -4.606
   71   2HG   LYS   9          1HG       LYS   9  -7.696   6.560  -3.805
   72   1HD   LYS   9          2HD       LYS   9  -7.595   4.251  -4.536
   73   2HD   LYS   9          1HD       LYS   9  -9.203   4.382  -5.253
   74   1HE   LYS   9          2HE       LYS   9  -7.689   6.488  -6.332
   75   2HE   LYS   9          1HE       LYS   9  -6.647   5.065  -6.371
   76   1HZ   LYS   9          1HZ       LYS   9  -9.318   5.392  -7.608
   77   2HZ   LYS   9          2HZ       LYS   9  -8.578   3.882  -7.426
   78   3HZ   LYS   9          3HZ       LYS   9  -7.846   5.074  -8.380
   79    H    VAL  10           H        VAL  10  -8.616   4.441  -0.564
   80    HA   VAL  10           HA       VAL  10 -10.569   4.726   1.629
   81    HB   VAL  10           HB       VAL  10  -9.681   2.217   0.204
   82   1HG1  VAL  10          1HG1      VAL  10 -11.510   1.306   1.928
   83   2HG1  VAL  10          2HG1      VAL  10 -10.826   2.608   2.903
   84   3HG1  VAL  10          3HG1      VAL  10  -9.783   1.327   2.285
   85   1HG2  VAL  10          1HG2      VAL  10 -12.464   2.324   0.461
   86   2HG2  VAL  10          2HG2      VAL  10 -11.513   2.576  -1.003
   87   3HG2  VAL  10          3HG2      VAL  10 -11.968   3.953  -0.001
   88    H    LEU  11           H        LEU  11  -7.410   3.585   0.619
   89    HA   LEU  11           HA       LEU  11  -5.612   2.808   1.836
   90   1HB   LEU  11          2HB       LEU  11  -5.115   4.758   3.616
   91   2HB   LEU  11          1HB       LEU  11  -4.775   4.885   1.901
   92    HG   LEU  11           HG       LEU  11  -7.169   5.893   1.748
   93   1HD1  LEU  11          1HD1      LEU  11  -8.286   6.132   3.645
   94   2HD1  LEU  11          2HD1      LEU  11  -7.023   7.211   4.235
   95   3HD1  LEU  11          3HD1      LEU  11  -6.927   5.482   4.561
   96   1HD2  LEU  11          1HD2      LEU  11  -4.661   7.183   2.720
   97   2HD2  LEU  11          2HD2      LEU  11  -6.132   8.143   2.574
   98   3HD2  LEU  11          3HD2      LEU  11  -5.469   7.326   1.159
   99    H    ILE  12           H        ILE  12  -6.824   1.023   2.837
  100    HA   ILE  12           HA       ILE  12  -7.457   1.436   5.659
  101    HB   ILE  12           HB       ILE  12  -7.894  -1.205   5.359
  102   1HG1  ILE  12          2HG1      ILE  12  -9.389  -1.117   3.140
  103   2HG1  ILE  12          1HG1      ILE  12  -8.087  -0.061   2.627
  104   1HG2  ILE  12          1HG2      ILE  12 -10.284  -0.634   5.108
  105   2HG2  ILE  12          2HG2      ILE  12  -9.804   1.036   4.807
  106   3HG2  ILE  12          3HG2      ILE  12  -9.444   0.280   6.360
  107   1HD1  ILE  12          1HD1      ILE  12  -8.132  -2.944   2.992
  108   2HD1  ILE  12          2HD1      ILE  12  -6.736  -2.166   3.733
  109   3HD1  ILE  12          3HD1      ILE  12  -7.060  -1.943   2.015
  110    H    ARG  13           H        ARG  13  -5.601   1.500   6.791
  111    HA   ARG  13           HA       ARG  13  -3.209   0.263   6.271
  112   1HB   ARG  13          2HB       ARG  13  -4.396   1.603   8.485
  113   2HB   ARG  13          1HB       ARG  13  -3.625   0.145   9.095
  114   1HG   ARG  13          2HG       ARG  13  -2.110   1.896   7.224
  115   2HG   ARG  13          1HG       ARG  13  -2.308   2.399   8.905
  116   1HD   ARG  13          2HD       ARG  13  -1.242  -0.294   8.068
  117   2HD   ARG  13          1HD       ARG  13  -0.220   1.097   8.429
  118    HE   ARG  13           HE       ARG  13  -1.825   0.806  10.630
  119   1HH1  ARG  13          1HH1      ARG  13   0.422  -1.213   8.903
  120   2HH1  ARG  13          2HH1      ARG  13   0.894  -2.114  10.305
  121   1HH2  ARG  13          1HH2      ARG  13  -1.213  -0.376  12.488
  122   2HH2  ARG  13          2HH2      ARG  13  -0.037  -1.640  12.342
  123    H    SER  14           H        SER  14  -6.161  -1.145   7.316
  124    HA   SER  14           HA       SER  14  -5.859  -3.319   8.702
  125   1HB   SER  14          2HB       SER  14  -7.166  -3.046   6.028
  126   2HB   SER  14          1HB       SER  14  -7.159  -4.610   6.843
  127    HG   SER  14           HG       SER  14  -8.653  -3.897   8.124
  128    H    ARG  15           H        ARG  15  -5.463  -4.061   5.305
  129    HA   ARG  15           HA       ARG  15  -2.788  -4.849   5.357
  130   1HB   ARG  15          2HB       ARG  15  -2.786  -7.155   5.765
  131   2HB   ARG  15          1HB       ARG  15  -3.834  -6.511   7.022
  132   1HG   ARG  15          2HG       ARG  15  -5.418  -7.125   4.736
  133   2HG   ARG  15          1HG       ARG  15  -4.402  -8.515   5.125
  134   1HD   ARG  15          2HD       ARG  15  -5.332  -8.769   7.228
  135   2HD   ARG  15          1HD       ARG  15  -5.880  -7.095   7.299
  136    HE   ARG  15           HE       ARG  15  -7.832  -7.742   6.307
  137   1HH1  ARG  15          1HH1      ARG  15  -5.430 -10.204   5.772
  138   2HH1  ARG  15          2HH1      ARG  15  -6.539 -11.309   5.032
  139   1HH2  ARG  15          1HH2      ARG  15  -9.301  -9.187   5.333
  140   2HH2  ARG  15          2HH2      ARG  15  -8.740 -10.729   4.779
  141    H    SER  16           H        SER  16  -4.677  -3.622   3.672
  142    HA   SER  16           HA       SER  16  -4.029  -4.971   1.219
  143   1HB   SER  16          2HB       SER  16  -6.978  -4.616   1.682
  144   2HB   SER  16          1HB       SER  16  -6.161  -5.588   0.460
  145    HG   SER  16           HG       SER  16  -6.753  -6.179   3.100
  146    H    ASN  17           H        ASN  17  -3.297  -2.475   2.054
  147    HA   ASN  17           HA       ASN  17  -4.247  -0.860  -0.079
  148   1HB   ASN  17          2HB       ASN  17  -5.686  -0.745   2.385
  149   2HB   ASN  17          1HB       ASN  17  -4.848   0.778   2.148
  150   1HD2  ASN  17          1HD2      ASN  17  -6.713  -1.559   0.231
  151   2HD2  ASN  17          2HD2      ASN  17  -7.655  -0.376  -0.604
  152    H    CYS  18           H        CYS  18  -3.183   1.225  -0.179
  153    HA   CYS  18           HA       CYS  18  -0.822   1.437   1.562
  154   1HB   CYS  18          2HB       CYS  18  -0.436   2.553  -1.109
  155   2HB   CYS  18          1HB       CYS  18   0.609   1.507  -0.172
  156    HA   PRO  19           HA       PRO  19  -2.358   5.531   2.252
  157   1HB   PRO  19          2HB       PRO  19   0.360   6.325   2.994
  158   2HB   PRO  19          1HB       PRO  19  -1.087   6.217   4.000
  159   1HG   PRO  19          2HG       PRO  19   0.976   4.492   4.245
  160   2HG   PRO  19          1HG       PRO  19  -0.707   4.017   4.545
  161   1HD   PRO  19          2HD       PRO  19   1.001   3.530   2.133
  162   2HD   PRO  19          1HD       PRO  19  -0.144   2.441   2.943
  163    H    LYS  20           H        LYS  20  -1.225   7.890   1.960
  164    HA   LYS  20           HA       LYS  20  -1.058   8.244  -0.862
  165   1HB   LYS  20          2HB       LYS  20  -0.633  10.637  -0.266
  166   2HB   LYS  20          1HB       LYS  20  -2.091   9.964   0.450
  167   1HG   LYS  20          2HG       LYS  20  -0.795   9.578   2.545
  168   2HG   LYS  20          1HG       LYS  20   0.547  10.453   1.807
  169   1HD   LYS  20          2HD       LYS  20  -0.365  12.353   2.535
  170   2HD   LYS  20          1HD       LYS  20  -1.729  12.064   1.453
  171   1HE   LYS  20          2HE       LYS  20  -2.432  10.456   3.469
  172   2HE   LYS  20          1HE       LYS  20  -1.491  11.640   4.374
  173   1HZ   LYS  20          1HZ       LYS  20  -3.435  12.734   4.414
  174   2HZ   LYS  20          2HZ       LYS  20  -4.062  11.925   3.067
  175   3HZ   LYS  20          3HZ       LYS  20  -3.005  13.230   2.854
  176    H    GLY  21           H        GLY  21   0.675   8.832  -2.133
  177   1HA   GLY  21          2HA       GLY  21   2.864   8.542  -2.827
  178   2HA   GLY  21          1HA       GLY  21   3.162   9.690  -1.530
  179    H    LYS  22           H        LYS  22   1.982   6.415  -1.068
  180    HA   LYS  22           HA       LYS  22   4.178   5.859   0.706
  181   1HB   LYS  22          2HB       LYS  22   2.951   4.058   1.460
  182   2HB   LYS  22          1HB       LYS  22   1.704   5.199   0.991
  183   1HG   LYS  22          2HG       LYS  22   2.417   2.581  -0.170
  184   2HG   LYS  22          1HG       LYS  22   0.855   3.347   0.071
  185   1HD   LYS  22          2HD       LYS  22   0.792   3.915  -2.075
  186   2HD   LYS  22          1HD       LYS  22   2.257   4.859  -1.880
  187   1HE   LYS  22          2HE       LYS  22   2.155   2.916  -3.618
  188   2HE   LYS  22          1HE       LYS  22   3.612   3.202  -2.674
  189   1HZ   LYS  22          1HZ       LYS  22   1.563   1.320  -1.725
  190   2HZ   LYS  22          2HZ       LYS  22   3.208   1.372  -1.343
  191   3HZ   LYS  22          3HZ       LYS  22   2.707   0.829  -2.864
  192    H    VAL  23           H        VAL  23   4.480   3.129   0.353
  193    HA   VAL  23           HA       VAL  23   5.277   2.551  -2.327
  194    HB   VAL  23           HB       VAL  23   7.693   2.157  -1.324
  195   1HG1  VAL  23          1HG1      VAL  23   7.619   4.890  -2.101
  196   2HG1  VAL  23          2HG1      VAL  23   6.416   4.004  -3.038
  197   3HG1  VAL  23          3HG1      VAL  23   8.102   3.490  -3.058
  198   1HG2  VAL  23          1HG2      VAL  23   8.292   4.254  -0.037
  199   2HG2  VAL  23          2HG2      VAL  23   7.389   3.025   0.848
  200   3HG2  VAL  23          3HG2      VAL  23   6.563   4.458   0.237
  201    H    TRP  24           H        TRP  24   4.787   0.456  -2.522
  202    HA   TRP  24           HA       TRP  24   4.520  -1.258  -0.295
  203   1HB   TRP  24          2HB       TRP  24   3.150  -1.802  -2.089
  204   2HB   TRP  24          1HB       TRP  24   4.452  -1.601  -3.234
  205    HD1  TRP  24           HD       TRP  24   5.983  -3.700  -3.745
  206    HE1  TRP  24           1HE      TRP  24   5.700  -6.205  -3.257
  207    HE3  TRP  24           3HE      TRP  24   2.356  -3.385  -0.212
  208    HZ2  TRP  24           2HZ      TRP  24   4.118  -7.836  -1.577
  209    HZ3  TRP  24           3HZ      TRP  24   1.509  -5.458   0.801
  210    HH2  TRP  24           HH       TRP  24   2.368  -7.633   0.135
  211    H    ASN  25           H        ASN  25   5.626  -3.371  -0.182
  212    HA   ASN  25           HA       ASN  25   8.325  -3.522  -1.165
  213   1HB   ASN  25          2HB       ASN  25   8.394  -1.879   0.761
  214   2HB   ASN  25          1HB       ASN  25   7.971  -3.226   1.813
  215   1HD2  ASN  25          1HD2      ASN  25   9.456  -4.897   2.121
  216   2HD2  ASN  25          2HD2      ASN  25  11.134  -4.702   1.758
  217    H    GLY  26           H        GLY  26   8.049  -5.572  -1.838
  218   1HA   GLY  26          2HA       GLY  26   7.877  -7.841  -1.803
  219   2HA   GLY  26          1HA       GLY  26   8.521  -7.711  -0.181
  220    H    PHE  27           H        PHE  27   6.483  -6.688   1.277
  221    HA   PHE  27           HA       PHE  27   4.074  -8.166   0.710
  222   1HB   PHE  27          2HB       PHE  27   5.798  -8.791   3.101
  223   2HB   PHE  27          1HB       PHE  27   4.138  -9.341   2.909
  224    HD1  PHE  27           1HD      PHE  27   3.597 -10.816   0.914
  225    HD2  PHE  27           2HD      PHE  27   7.571 -10.002   2.198
  226    HE1  PHE  27           1HE      PHE  27   4.392 -12.801  -0.303
  227    HE2  PHE  27           2HE      PHE  27   8.375 -11.985   0.984
  228    HZ   PHE  27           HZ       PHE  27   6.784 -13.387  -0.269
  229    H    ASP  28           H        ASP  28   4.730  -5.351   1.036
  230    HA   ASP  28           HA       ASP  28   2.636  -4.708   2.937
  231   1HB   ASP  28          2HB       ASP  28   5.408  -3.697   3.472
  232   2HB   ASP  28          1HB       ASP  28   3.959  -3.312   4.392
  233    H    CYS  29           H        CYS  29   1.635  -2.830   2.440
  234    HA   CYS  29           HA       CYS  29   2.854  -1.170   0.336
  235   1HB   CYS  29          2HB       CYS  29   0.341  -2.378   0.504
  236   2HB   CYS  29          1HB       CYS  29   0.054  -0.677   0.844
  237    H    LYS  30           H        LYS  30   3.982   0.363   1.560
  238    HA   LYS  30           HA       LYS  30   2.382   2.374   2.820
  239   1HB   LYS  30          2HB       LYS  30   3.416   0.261   4.412
  240   2HB   LYS  30          1HB       LYS  30   4.298   1.725   4.815
  241   1HG   LYS  30          2HG       LYS  30   2.569   1.896   6.256
  242   2HG   LYS  30          1HG       LYS  30   1.925   2.781   4.879
  243   1HD   LYS  30          2HD       LYS  30   0.436   1.037   6.098
  244   2HD   LYS  30          1HD       LYS  30   0.424   1.114   4.341
  245   1HE   LYS  30          2HE       LYS  30   0.529  -1.195   5.214
  246   2HE   LYS  30          1HE       LYS  30   1.916  -0.785   4.208
  247   1HZ   LYS  30          1HZ       LYS  30   2.701  -1.930   6.120
  248   2HZ   LYS  30          2HZ       LYS  30   1.829  -0.930   7.170
  249   3HZ   LYS  30          3HZ       LYS  30   3.140  -0.305   6.303
  250    H    SER  31           H        SER  31   3.699   4.212   3.638
  251    HA   SER  31           HA       SER  31   5.497   5.170   1.825
  252   1HB   SER  31          2HB       SER  31   6.223   5.988   4.538
  253   2HB   SER  31          1HB       SER  31   5.604   6.957   3.200
  254    HG   SER  31           HG       SER  31   4.292   5.937   5.345
  255    HA   PRO  32           HA       PRO  32   9.341   3.125   2.361
  256   1HB   PRO  32          2HB       PRO  32  11.181   5.101   2.152
  257   2HB   PRO  32          1HB       PRO  32  10.226   4.538   0.775
  258   1HG   PRO  32          2HG       PRO  32   9.819   6.945   2.505
  259   2HG   PRO  32          1HG       PRO  32   9.672   6.793   0.744
  260   1HD   PRO  32          2HD       PRO  32   7.529   6.789   2.420
  261   2HD   PRO  32          1HD       PRO  32   7.548   5.919   0.873
  262    H    PHE  33           H        PHE  33   8.874   5.898   4.446
  263    HA   PHE  33           HA       PHE  33  10.974   5.591   6.219
  264   1HB   PHE  33          2HB       PHE  33   8.228   6.220   7.226
  265   2HB   PHE  33          1HB       PHE  33   9.771   6.934   7.684
  266    HD1  PHE  33           1HD      PHE  33   6.813   7.676   6.204
  267    HD2  PHE  33           2HD      PHE  33  10.985   7.984   5.436
  268    HE1  PHE  33           1HE      PHE  33   6.385   9.544   4.666
  269    HE2  PHE  33           2HE      PHE  33  10.567   9.854   3.897
  270    HZ   PHE  33           HZ       PHE  33   8.265  10.641   3.509
  271    H    ALA  34           H        ALA  34   8.065   3.731   5.850
  272    HA   ALA  34           HA       ALA  34   8.625   2.210   8.286
  273   1HB   ALA  34          1HB       ALA  34   6.300   3.185   7.477
  274   2HB   ALA  34          2HB       ALA  34   6.417   1.666   8.368
  275   3HB   ALA  34          3HB       ALA  34   6.241   1.648   6.613
  276    H    PHE  35           H        PHE  35  10.445   1.822   6.243
  277    HA   PHE  35           HA       PHE  35  10.287  -1.008   5.917
  278   1HB   PHE  35          2HB       PHE  35   9.964   0.739   3.471
  279   2HB   PHE  35          1HB       PHE  35  10.437  -0.957   3.401
  280    HD1  PHE  35           1HD      PHE  35   7.769   1.120   2.957
  281    HD2  PHE  35           2HD      PHE  35   8.809  -2.447   5.029
  282    HE1  PHE  35           1HE      PHE  35   5.398   0.464   3.013
  283    HE2  PHE  35           2HE      PHE  35   6.443  -3.110   5.086
  284    HZ   PHE  35           HZ       PHE  35   4.733  -1.652   4.077
  285    H    SER  36           H        SER  36  12.109   0.579   7.192
  286    HA   SER  36           HA       SER  36  14.541  -0.299   6.084
  287   1HB   SER  36          2HB       SER  36  15.068   1.349   4.663
  288   2HB   SER  36          1HB       SER  36  13.600   2.229   5.088
  289    HG   SER  36           HG       SER  36  15.579   3.378   5.527
  Start of MODEL    9
    1   1H    GLU   1          1HT       GLU   1 -10.225  -9.937  -2.629
    2   2H    GLU   1          2HT       GLU   1  -9.595 -11.427  -3.204
    3   3H    GLU   1          3HT       GLU   1 -10.401 -10.360  -4.280
    4    HA   GLU   1           HA       GLU   1  -7.752 -10.151  -3.070
    5   1HB   GLU   1          2HB       GLU   1  -8.817 -10.823  -5.579
    6   2HB   GLU   1          1HB       GLU   1  -8.152  -9.208  -5.778
    7   1HG   GLU   1          2HG       GLU   1  -5.997  -9.893  -5.324
    8   2HG   GLU   1          1HG       GLU   1  -6.527 -11.331  -4.453
    9    H    LEU   2           H        LEU   2  -6.674  -8.040  -4.040
   10    HA   LEU   2           HA       LEU   2  -8.180  -5.701  -4.343
   11   1HB   LEU   2          2HB       LEU   2  -8.279  -6.549  -1.737
   12   2HB   LEU   2          1HB       LEU   2  -6.933  -5.426  -1.706
   13    HG   LEU   2           HG       LEU   2  -8.420  -3.692  -2.707
   14   1HD1  LEU   2          1HD1      LEU   2 -10.890  -4.148  -2.487
   15   2HD1  LEU   2          2HD1      LEU   2 -10.475  -5.856  -2.335
   16   3HD1  LEU   2          3HD1      LEU   2 -10.069  -4.977  -3.811
   17   1HD2  LEU   2          1HD2      LEU   2  -9.515  -3.145  -0.664
   18   2HD2  LEU   2          2HD2      LEU   2  -7.999  -3.946  -0.248
   19   3HD2  LEU   2          3HD2      LEU   2  -9.522  -4.830  -0.146
   20    HA   PRO   3           HA       PRO   3  -3.929  -5.058  -5.697
   21   1HB   PRO   3          2HB       PRO   3  -4.525  -2.820  -7.158
   22   2HB   PRO   3          1HB       PRO   3  -4.721  -4.469  -7.759
   23   1HG   PRO   3          2HG       PRO   3  -6.769  -2.602  -6.638
   24   2HG   PRO   3          1HG       PRO   3  -6.896  -3.709  -8.016
   25   1HD   PRO   3          2HD       PRO   3  -7.947  -4.288  -5.594
   26   2HD   PRO   3          1HD       PRO   3  -7.294  -5.540  -6.671
   27    H    LYS   4           H        LYS   4  -3.175  -4.488  -3.599
   28    HA   LYS   4           HA       LYS   4  -3.718  -2.130  -2.230
   29   1HB   LYS   4          2HB       LYS   4  -1.414  -4.038  -2.250
   30   2HB   LYS   4          1HB       LYS   4  -1.287  -2.545  -1.333
   31   1HG   LYS   4          2HG       LYS   4  -2.142  -3.815   0.313
   32   2HG   LYS   4          1HG       LYS   4  -3.674  -3.407  -0.462
   33   1HD   LYS   4          2HD       LYS   4  -3.561  -5.792  -0.019
   34   2HD   LYS   4          1HD       LYS   4  -3.556  -5.491  -1.758
   35   1HE   LYS   4          2HE       LYS   4  -1.798  -6.888  -1.776
   36   2HE   LYS   4          1HE       LYS   4  -0.894  -5.486  -1.207
   37   1HZ   LYS   4          1HZ       LYS   4  -0.388  -7.284   0.220
   38   2HZ   LYS   4          2HZ       LYS   4  -2.017  -7.689   0.428
   39   3HZ   LYS   4          3HZ       LYS   4  -1.411  -6.257   1.095
   40    H    LEU   5           H        LEU   5  -3.795  -0.619  -4.094
   41    HA   LEU   5           HA       LEU   5  -1.194   0.662  -4.432
   42   1HB   LEU   5          2HB       LEU   5  -3.123   0.208  -6.696
   43   2HB   LEU   5          1HB       LEU   5  -1.565   1.007  -6.792
   44    HG   LEU   5           HG       LEU   5  -1.859  -1.873  -5.972
   45   1HD1  LEU   5          1HD1      LEU   5  -2.418  -2.347  -8.069
   46   2HD1  LEU   5          2HD1      LEU   5  -0.815  -1.784  -8.544
   47   3HD1  LEU   5          3HD1      LEU   5  -2.186  -0.674  -8.579
   48   1HD2  LEU   5          1HD2      LEU   5   0.259  -0.101  -5.833
   49   2HD2  LEU   5          2HD2      LEU   5   0.570  -1.021  -7.304
   50   3HD2  LEU   5          3HD2      LEU   5   0.357  -1.861  -5.768
   51    HA   PRO   6           HA       PRO   6  -4.846   3.766  -4.416
   52   1HB   PRO   6          2HB       PRO   6  -6.097   3.774  -2.077
   53   2HB   PRO   6          1HB       PRO   6  -6.525   2.592  -3.322
   54   1HG   PRO   6          2HG       PRO   6  -4.773   2.240  -0.913
   55   2HG   PRO   6          1HG       PRO   6  -6.064   1.186  -1.522
   56   1HD   PRO   6          2HD       PRO   6  -3.408   0.768  -2.029
   57   2HD   PRO   6          1HD       PRO   6  -4.728   0.240  -3.088
   58    H    ASP   7           H        ASP   7  -5.249   5.616  -2.552
   59    HA   ASP   7           HA       ASP   7  -3.137   6.069  -0.742
   60   1HB   ASP   7          2HB       ASP   7  -2.258   8.121  -2.144
   61   2HB   ASP   7          1HB       ASP   7  -1.593   6.509  -2.388
   62    H    ASP   8           H        ASP   8  -5.530   7.587  -2.859
   63    HA   ASP   8           HA       ASP   8  -6.323   9.267  -0.577
   64   1HB   ASP   8          2HB       ASP   8  -6.980  10.887  -2.639
   65   2HB   ASP   8          1HB       ASP   8  -5.456  10.993  -1.764
   66    H    LYS   9           H        LYS   9  -7.578   6.931  -0.992
   67    HA   LYS   9           HA       LYS   9 -10.214   7.800  -1.913
   68   1HB   LYS   9          2HB       LYS   9  -9.175   5.059  -2.599
   69   2HB   LYS   9          1HB       LYS   9 -10.611   5.864  -3.219
   70   1HG   LYS   9          2HG       LYS   9  -7.848   6.911  -3.745
   71   2HG   LYS   9          1HG       LYS   9  -8.606   5.691  -4.769
   72   1HD   LYS   9          2HD       LYS   9 -10.573   7.327  -4.936
   73   2HD   LYS   9          1HD       LYS   9  -9.456   8.531  -4.290
   74   1HE   LYS   9          2HE       LYS   9  -8.345   6.971  -6.495
   75   2HE   LYS   9          1HE       LYS   9  -9.776   7.898  -6.942
   76   1HZ   LYS   9          1HZ       LYS   9  -7.754   9.172  -7.282
   77   2HZ   LYS   9          2HZ       LYS   9  -7.338   9.001  -5.651
   78   3HZ   LYS   9          3HZ       LYS   9  -8.710   9.890  -6.084
   79    H    VAL  10           H        VAL  10  -8.605   4.915  -0.603
   80    HA   VAL  10           HA       VAL  10 -10.510   4.957   1.636
   81    HB   VAL  10           HB       VAL  10  -9.639   2.551   0.035
   82   1HG1  VAL  10          1HG1      VAL  10  -9.596   2.157   2.503
   83   2HG1  VAL  10          2HG1      VAL  10 -10.745   1.151   1.620
   84   3HG1  VAL  10          3HG1      VAL  10 -11.315   2.547   2.537
   85   1HG2  VAL  10          1HG2      VAL  10 -11.794   4.252  -0.284
   86   2HG2  VAL  10          2HG2      VAL  10 -12.467   2.888   0.609
   87   3HG2  VAL  10          3HG2      VAL  10 -11.651   2.617  -0.931
   88    H    LEU  11           H        LEU  11  -7.367   3.972   0.415
   89    HA   LEU  11           HA       LEU  11  -5.506   3.150   1.523
   90   1HB   LEU  11          2HB       LEU  11  -4.545   4.934   2.934
   91   2HB   LEU  11          1HB       LEU  11  -5.133   5.503   1.383
   92    HG   LEU  11           HG       LEU  11  -7.195   5.741   3.387
   93   1HD1  LEU  11          1HD1      LEU  11  -4.509   6.359   4.256
   94   2HD1  LEU  11          2HD1      LEU  11  -6.019   6.357   5.168
   95   3HD1  LEU  11          3HD1      LEU  11  -5.540   7.791   4.259
   96   1HD2  LEU  11          1HD2      LEU  11  -7.412   7.010   1.445
   97   2HD2  LEU  11          2HD2      LEU  11  -5.733   7.550   1.495
   98   3HD2  LEU  11          3HD2      LEU  11  -6.900   8.186   2.654
   99    H    ILE  12           H        ILE  12  -7.437   1.636   2.603
  100    HA   ILE  12           HA       ILE  12  -7.719   1.920   5.420
  101    HB   ILE  12           HB       ILE  12  -8.134  -0.705   5.172
  102   1HG1  ILE  12          2HG1      ILE  12  -9.358  -0.118   2.601
  103   2HG1  ILE  12          1HG1      ILE  12  -7.606  -0.054   2.533
  104   1HG2  ILE  12          1HG2      ILE  12 -10.105   1.370   4.263
  105   2HG2  ILE  12          2HG2      ILE  12  -9.730   0.969   5.940
  106   3HG2  ILE  12          3HG2      ILE  12 -10.477  -0.235   4.892
  107   1HD1  ILE  12          1HD1      ILE  12  -7.915  -2.247   2.084
  108   2HD1  ILE  12          2HD1      ILE  12  -9.388  -2.349   3.050
  109   3HD1  ILE  12          3HD1      ILE  12  -7.812  -2.325   3.843
  110    H    ARG  13           H        ARG  13  -6.084   1.782   6.801
  111    HA   ARG  13           HA       ARG  13  -3.591   0.602   6.276
  112   1HB   ARG  13          2HB       ARG  13  -4.735   2.106   8.340
  113   2HB   ARG  13          1HB       ARG  13  -4.251   0.598   9.102
  114   1HG   ARG  13          2HG       ARG  13  -1.988   0.982   7.937
  115   2HG   ARG  13          1HG       ARG  13  -2.549   2.644   7.732
  116   1HD   ARG  13          2HD       ARG  13  -3.091   1.963  10.399
  117   2HD   ARG  13          1HD       ARG  13  -1.471   1.353  10.066
  118    HE   ARG  13           HE       ARG  13  -2.195   4.049  10.443
  119   1HH1  ARG  13          1HH1      ARG  13  -0.184   2.041   8.433
  120   2HH1  ARG  13          2HH1      ARG  13   0.975   3.290   8.120
  121   1HH2  ARG  13          1HH2      ARG  13  -0.671   5.700  10.048
  122   2HH2  ARG  13          2HH2      ARG  13   0.698   5.372   9.040
  123    H    SER  14           H        SER  14  -6.598  -0.689   7.181
  124    HA   SER  14           HA       SER  14  -6.464  -2.819   8.663
  125   1HB   SER  14          2HB       SER  14  -7.835  -2.259   6.194
  126   2HB   SER  14          1HB       SER  14  -7.475  -3.981   6.322
  127    HG   SER  14           HG       SER  14  -9.503  -3.156   7.319
  128    H    ARG  15           H        ARG  15  -5.906  -3.750   5.337
  129    HA   ARG  15           HA       ARG  15  -3.264  -4.656   5.636
  130   1HB   ARG  15          2HB       ARG  15  -3.816  -7.155   5.618
  131   2HB   ARG  15          1HB       ARG  15  -3.960  -6.317   7.156
  132   1HG   ARG  15          2HG       ARG  15  -6.150  -6.720   7.302
  133   2HG   ARG  15          1HG       ARG  15  -6.431  -6.335   5.603
  134   1HD   ARG  15          2HD       ARG  15  -5.604  -8.939   6.832
  135   2HD   ARG  15          1HD       ARG  15  -6.972  -8.600   5.781
  136    HE   ARG  15           HE       ARG  15  -5.419  -8.392   3.940
  137   1HH1  ARG  15          1HH1      ARG  15  -4.110  -9.866   6.845
  138   2HH1  ARG  15          2HH1      ARG  15  -2.835 -10.666   5.996
  139   1HH2  ARG  15          1HH2      ARG  15  -3.738  -9.448   2.854
  140   2HH2  ARG  15          2HH2      ARG  15  -2.621 -10.430   3.742
  141    H    SER  16           H        SER  16  -4.866  -3.325   3.777
  142    HA   SER  16           HA       SER  16  -4.048  -4.629   1.383
  143   1HB   SER  16          2HB       SER  16  -7.008  -4.642   2.005
  144   2HB   SER  16          1HB       SER  16  -6.333  -4.931   0.401
  145    HG   SER  16           HG       SER  16  -5.988  -6.487   2.744
  146    H    ASN  17           H        ASN  17  -3.372  -2.190   2.131
  147    HA   ASN  17           HA       ASN  17  -4.294  -0.545   0.042
  148   1HB   ASN  17          2HB       ASN  17  -5.886  -0.541   2.396
  149   2HB   ASN  17          1HB       ASN  17  -5.066   1.008   2.288
  150   1HD2  ASN  17          1HD2      ASN  17  -6.542  -1.242  -0.032
  151   2HD2  ASN  17          2HD2      ASN  17  -7.521  -0.056  -0.820
  152    H    CYS  18           H        CYS  18  -2.993   1.221  -0.249
  153    HA   CYS  18           HA       CYS  18  -0.838   1.550   1.727
  154   1HB   CYS  18          2HB       CYS  18  -0.239   2.729  -0.843
  155   2HB   CYS  18          1HB       CYS  18   0.626   1.517   0.065
  156    HA   PRO  19           HA       PRO  19  -2.334   5.590   2.618
  157   1HB   PRO  19          2HB       PRO  19   0.512   6.335   2.965
  158   2HB   PRO  19          1HB       PRO  19  -0.827   6.436   4.114
  159   1HG   PRO  19          2HG       PRO  19   1.070   4.572   4.368
  160   2HG   PRO  19          1HG       PRO  19  -0.627   4.218   4.747
  161   1HD   PRO  19          2HD       PRO  19   0.968   3.494   2.324
  162   2HD   PRO  19          1HD       PRO  19  -0.237   2.535   3.207
  163    H    LYS  20           H        LYS  20  -0.771   7.921   2.220
  164    HA   LYS  20           HA       LYS  20  -1.139   8.258  -0.644
  165   1HB   LYS  20          2HB       LYS  20  -0.812  10.645  -0.166
  166   2HB   LYS  20          1HB       LYS  20  -2.042   9.945   0.879
  167   1HG   LYS  20          2HG       LYS  20  -0.596   9.914   2.734
  168   2HG   LYS  20          1HG       LYS  20   0.818  10.236   1.729
  169   1HD   LYS  20          2HD       LYS  20  -0.093  12.461   1.196
  170   2HD   LYS  20          1HD       LYS  20  -1.471  12.135   2.250
  171   1HE   LYS  20          2HE       LYS  20  -0.108  12.095   4.180
  172   2HE   LYS  20          1HE       LYS  20   1.371  12.018   3.223
  173   1HZ   LYS  20          1HZ       LYS  20  -0.395  14.323   3.715
  174   2HZ   LYS  20          2HZ       LYS  20   0.584  14.287   2.336
  175   3HZ   LYS  20          3HZ       LYS  20   1.286  14.213   3.873
  176    H    GLY  21           H        GLY  21   0.472   8.597  -2.099
  177   1HA   GLY  21          2HA       GLY  21   2.615   8.281  -2.932
  178   2HA   GLY  21          1HA       GLY  21   2.969   9.601  -1.826
  179    H    LYS  22           H        LYS  22   2.187   6.159  -1.395
  180    HA   LYS  22           HA       LYS  22   4.422   5.953   0.476
  181   1HB   LYS  22          2HB       LYS  22   3.227   3.683   0.933
  182   2HB   LYS  22          1HB       LYS  22   2.531   5.167   1.554
  183   1HG   LYS  22          2HG       LYS  22   0.925   3.552   0.482
  184   2HG   LYS  22          1HG       LYS  22   0.867   5.213  -0.096
  185   1HD   LYS  22          2HD       LYS  22   0.764   3.916  -2.034
  186   2HD   LYS  22          1HD       LYS  22   2.432   4.458  -1.958
  187   1HE   LYS  22          2HE       LYS  22   1.345   1.772  -1.948
  188   2HE   LYS  22          1HE       LYS  22   2.974   2.318  -2.291
  189   1HZ   LYS  22          1HZ       LYS  22   2.192   2.264   0.523
  190   2HZ   LYS  22          2HZ       LYS  22   3.650   1.858  -0.200
  191   3HZ   LYS  22          3HZ       LYS  22   2.369   0.774  -0.240
  192    H    VAL  23           H        VAL  23   4.804   3.200   0.351
  193    HA   VAL  23           HA       VAL  23   5.435   2.490  -2.366
  194    HB   VAL  23           HB       VAL  23   7.864   2.012  -1.347
  195   1HG1  VAL  23          1HG1      VAL  23   8.511   4.168  -2.526
  196   2HG1  VAL  23          2HG1      VAL  23   6.782   4.415  -2.774
  197   3HG1  VAL  23          3HG1      VAL  23   7.579   2.999  -3.462
  198   1HG2  VAL  23          1HG2      VAL  23   8.593   3.477   0.211
  199   2HG2  VAL  23          2HG2      VAL  23   6.887   3.504   0.657
  200   3HG2  VAL  23          3HG2      VAL  23   7.550   4.772  -0.373
  201    H    TRP  24           H        TRP  24   4.826   0.446  -2.491
  202    HA   TRP  24           HA       TRP  24   4.526  -1.230  -0.257
  203   1HB   TRP  24          2HB       TRP  24   3.068  -1.747  -1.961
  204   2HB   TRP  24          1HB       TRP  24   4.279  -1.487  -3.192
  205    HD1  TRP  24           HD       TRP  24   5.833  -3.570  -3.853
  206    HE1  TRP  24           1HE      TRP  24   5.491  -6.098  -3.560
  207    HE3  TRP  24           3HE      TRP  24   2.217  -3.444  -0.304
  208    HZ2  TRP  24           2HZ      TRP  24   3.887  -7.820  -2.004
  209    HZ3  TRP  24           3HZ      TRP  24   1.351  -5.576   0.573
  210    HH2  TRP  24           HH       TRP  24   2.152  -7.714  -0.267
  211    H    ASN  25           H        ASN  25   5.463  -3.422  -0.235
  212    HA   ASN  25           HA       ASN  25   8.255  -3.580  -1.083
  213   1HB   ASN  25          2HB       ASN  25   8.000  -2.563   1.291
  214   2HB   ASN  25          1HB       ASN  25   7.558  -4.196   1.779
  215   1HD2  ASN  25          1HD2      ASN  25   9.293  -4.716   2.979
  216   2HD2  ASN  25          2HD2      ASN  25  10.909  -4.807   2.374
  217    H    GLY  26           H        GLY  26   9.108  -5.847  -0.156
  218   1HA   GLY  26          2HA       GLY  26   8.179  -7.884  -1.541
  219   2HA   GLY  26          1HA       GLY  26   8.748  -8.136   0.097
  220    H    PHE  27           H        PHE  27   6.433  -6.703   1.323
  221    HA   PHE  27           HA       PHE  27   4.084  -8.058   0.452
  222   1HB   PHE  27          2HB       PHE  27   5.636  -9.117   2.786
  223   2HB   PHE  27          1HB       PHE  27   3.882  -9.268   2.745
  224    HD1  PHE  27           1HD      PHE  27   6.391 -11.300   2.520
  225    HD2  PHE  27           2HD      PHE  27   3.433  -9.770  -0.129
  226    HE1  PHE  27           1HE      PHE  27   6.602 -13.317   1.127
  227    HE2  PHE  27           2HE      PHE  27   3.638 -11.785  -1.527
  228    HZ   PHE  27           HZ       PHE  27   5.223 -13.561  -0.900
  229    H    ASP  28           H        ASP  28   4.448  -5.354   0.822
  230    HA   ASP  28           HA       ASP  28   2.386  -4.766   2.713
  231   1HB   ASP  28          2HB       ASP  28   5.221  -4.283   3.502
  232   2HB   ASP  28          1HB       ASP  28   3.966  -3.169   4.034
  233    H    CYS  29           H        CYS  29   1.600  -2.662   2.539
  234    HA   CYS  29           HA       CYS  29   2.831  -1.065   0.384
  235   1HB   CYS  29          2HB       CYS  29   0.205  -2.076   0.668
  236   2HB   CYS  29          1HB       CYS  29   0.105  -0.341   0.931
  237    H    LYS  30           H        LYS  30   4.063   0.423   1.542
  238    HA   LYS  30           HA       LYS  30   2.619   2.407   3.012
  239   1HB   LYS  30          2HB       LYS  30   3.640   0.205   4.425
  240   2HB   LYS  30          1HB       LYS  30   4.716   1.552   4.774
  241   1HG   LYS  30          2HG       LYS  30   3.159   1.802   6.406
  242   2HG   LYS  30          1HG       LYS  30   2.511   2.852   5.150
  243   1HD   LYS  30          2HD       LYS  30   0.873   1.297   6.336
  244   2HD   LYS  30          1HD       LYS  30   0.835   1.324   4.576
  245   1HE   LYS  30          2HE       LYS  30   2.000  -0.743   4.436
  246   2HE   LYS  30          1HE       LYS  30   2.420  -0.697   6.146
  247   1HZ   LYS  30          1HZ       LYS  30   0.639  -1.989   6.408
  248   2HZ   LYS  30          2HZ       LYS  30   0.015  -1.628   4.878
  249   3HZ   LYS  30          3HZ       LYS  30  -0.283  -0.588   6.179
  250    H    SER  31           H        SER  31   3.832   4.284   3.470
  251    HA   SER  31           HA       SER  31   5.624   5.139   1.607
  252   1HB   SER  31          2HB       SER  31   6.251   6.272   4.224
  253   2HB   SER  31          1HB       SER  31   5.602   7.058   2.785
  254    HG   SER  31           HG       SER  31   3.597   6.687   3.460
  255    HA   PRO  32           HA       PRO  32   9.616   3.523   2.453
  256   1HB   PRO  32          2HB       PRO  32  11.283   5.654   2.368
  257   2HB   PRO  32          1HB       PRO  32  10.484   5.019   0.926
  258   1HG   PRO  32          2HG       PRO  32   9.745   7.373   2.619
  259   2HG   PRO  32          1HG       PRO  32   9.740   7.220   0.853
  260   1HD   PRO  32          2HD       PRO  32   7.491   7.017   2.372
  261   2HD   PRO  32          1HD       PRO  32   7.695   6.171   0.826
  262    H    PHE  33           H        PHE  33   8.206   5.653   4.614
  263    HA   PHE  33           HA       PHE  33  10.315   5.736   6.551
  264   1HB   PHE  33          2HB       PHE  33   7.490   6.183   7.342
  265   2HB   PHE  33          1HB       PHE  33   8.930   7.112   7.742
  266    HD1  PHE  33           1HD      PHE  33   6.062   7.922   6.672
  267    HD2  PHE  33           2HD      PHE  33   9.920   7.545   4.918
  268    HE1  PHE  33           1HE      PHE  33   5.446   9.589   4.969
  269    HE2  PHE  33           2HE      PHE  33   9.312   9.210   3.212
  270    HZ   PHE  33           HZ       PHE  33   7.072  10.235   3.236
  271    H    ALA  34           H        ALA  34   8.254   3.338   5.507
  272    HA   ALA  34           HA       ALA  34   8.492   1.909   8.068
  273   1HB   ALA  34          1HB       ALA  34   6.256   1.187   6.274
  274   2HB   ALA  34          2HB       ALA  34   6.128   2.721   7.135
  275   3HB   ALA  34          3HB       ALA  34   6.334   1.219   8.035
  276    H    PHE  35           H        PHE  35  10.458   1.740   6.158
  277    HA   PHE  35           HA       PHE  35  10.499  -1.071   5.669
  278   1HB   PHE  35          2HB       PHE  35  10.255   0.792   3.300
  279   2HB   PHE  35          1HB       PHE  35  10.842  -0.864   3.178
  280    HD1  PHE  35           1HD      PHE  35   7.951   1.267   3.422
  281    HD2  PHE  35           2HD      PHE  35   9.321  -2.746   3.775
  282    HE1  PHE  35           1HE      PHE  35   5.636   0.461   3.216
  283    HE2  PHE  35           2HE      PHE  35   7.008  -3.558   3.568
  284    HZ   PHE  35           HZ       PHE  35   5.163  -1.953   3.287
  285    H    SER  36           H        SER  36  12.084   0.791   7.094
  286    HA   SER  36           HA       SER  36  14.631   0.507   5.646
  287   1HB   SER  36          2HB       SER  36  14.118   2.860   5.651
  288   2HB   SER  36          1HB       SER  36  13.722   2.821   7.369
  289    HG   SER  36           HG       SER  36  16.218   2.762   6.106
  Start of MODEL   10
    1   1H    GLU   1          1HT       GLU   1  -7.364 -11.648  -4.985
    2   2H    GLU   1          2HT       GLU   1  -9.044 -11.425  -4.711
    3   3H    GLU   1          3HT       GLU   1  -8.123 -12.410  -3.650
    4    HA   GLU   1           HA       GLU   1  -8.692 -10.166  -2.827
    5   1HB   GLU   1          2HB       GLU   1  -6.197 -11.650  -2.838
    6   2HB   GLU   1          1HB       GLU   1  -5.921  -9.937  -2.548
    7   1HG   GLU   1          2HG       GLU   1  -6.183 -11.142  -0.463
    8   2HG   GLU   1          1HG       GLU   1  -7.497  -9.990  -0.691
    9    H    LEU   2           H        LEU   2  -7.997  -7.943  -2.788
   10    HA   LEU   2           HA       LEU   2  -7.541  -6.920  -5.471
   11   1HB   LEU   2          2HB       LEU   2  -9.102  -6.094  -3.347
   12   2HB   LEU   2          1HB       LEU   2  -7.771  -4.951  -3.333
   13    HG   LEU   2           HG       LEU   2  -8.315  -4.768  -5.905
   14   1HD1  LEU   2          1HD1      LEU   2 -11.123  -5.058  -5.148
   15   2HD1  LEU   2          2HD1      LEU   2 -10.236  -6.581  -5.224
   16   3HD1  LEU   2          3HD1      LEU   2 -10.291  -5.522  -6.633
   17   1HD2  LEU   2          1HD2      LEU   2  -8.786  -2.720  -5.202
   18   2HD2  LEU   2          2HD2      LEU   2  -9.027  -3.325  -3.563
   19   3HD2  LEU   2          3HD2      LEU   2 -10.384  -3.260  -4.689
   20    HA   PRO   3           HA       PRO   3  -3.158  -6.461  -4.730
   21   1HB   PRO   3          2HB       PRO   3  -3.389  -4.638  -7.059
   22   2HB   PRO   3          1HB       PRO   3  -2.341  -6.040  -6.826
   23   1HG   PRO   3          2HG       PRO   3  -4.450  -6.161  -8.457
   24   2HG   PRO   3          1HG       PRO   3  -3.988  -7.544  -7.448
   25   1HD   PRO   3          2HD       PRO   3  -6.197  -5.565  -7.058
   26   2HD   PRO   3          1HD       PRO   3  -6.185  -7.316  -6.758
   27    H    LYS   4           H        LYS   4  -2.367  -5.153  -3.226
   28    HA   LYS   4           HA       LYS   4  -3.543  -2.692  -2.508
   29   1HB   LYS   4          2HB       LYS   4  -0.925  -3.989  -1.773
   30   2HB   LYS   4          1HB       LYS   4  -1.440  -2.450  -1.096
   31   1HG   LYS   4          2HG       LYS   4  -2.291  -3.748   0.523
   32   2HG   LYS   4          1HG       LYS   4  -3.631  -3.941  -0.610
   33   1HD   LYS   4          2HD       LYS   4  -3.086  -6.126   0.070
   34   2HD   LYS   4          1HD       LYS   4  -2.352  -5.948  -1.525
   35   1HE   LYS   4          2HE       LYS   4  -0.389  -5.060   0.207
   36   2HE   LYS   4          1HE       LYS   4  -1.108  -6.429   1.056
   37   1HZ   LYS   4          1HZ       LYS   4   0.332  -6.374  -1.499
   38   2HZ   LYS   4          2HZ       LYS   4  -0.860  -7.551  -1.270
   39   3HZ   LYS   4          3HZ       LYS   4   0.460  -7.468  -0.215
   40    H    LEU   5           H        LEU   5  -3.563  -1.312  -4.308
   41    HA   LEU   5           HA       LEU   5  -1.001  -0.024  -4.813
   42   1HB   LEU   5          2HB       LEU   5  -1.611   0.161  -7.245
   43   2HB   LEU   5          1HB       LEU   5  -1.140  -1.431  -6.684
   44    HG   LEU   5           HG       LEU   5  -3.693  -1.844  -6.444
   45   1HD1  LEU   5          1HD1      LEU   5  -4.593   0.299  -6.773
   46   2HD1  LEU   5          2HD1      LEU   5  -4.912  -0.564  -8.278
   47   3HD1  LEU   5          3HD1      LEU   5  -3.586   0.596  -8.191
   48   1HD2  LEU   5          1HD2      LEU   5  -2.660  -3.174  -8.002
   49   2HD2  LEU   5          2HD2      LEU   5  -2.026  -1.804  -8.913
   50   3HD2  LEU   5          3HD2      LEU   5  -3.732  -2.231  -9.037
   51    HA   PRO   6           HA       PRO   6  -4.665   3.027  -4.952
   52   1HB   PRO   6          2HB       PRO   6  -5.923   3.161  -2.631
   53   2HB   PRO   6          1HB       PRO   6  -6.304   1.852  -3.761
   54   1HG   PRO   6          2HG       PRO   6  -4.566   1.800  -1.321
   55   2HG   PRO   6          1HG       PRO   6  -5.767   0.615  -1.869
   56   1HD   PRO   6          2HD       PRO   6  -3.038   0.408  -2.297
   57   2HD   PRO   6          1HD       PRO   6  -4.293  -0.411  -3.237
   58    H    ASP   7           H        ASP   7  -5.134   4.937  -3.174
   59    HA   ASP   7           HA       ASP   7  -3.183   5.583  -1.303
   60   1HB   ASP   7          2HB       ASP   7  -1.816   7.228  -2.511
   61   2HB   ASP   7          1HB       ASP   7  -1.621   5.610  -3.181
   62    H    ASP   8           H        ASP   8  -5.487   6.689  -3.691
   63    HA   ASP   8           HA       ASP   8  -6.313   8.803  -1.818
   64   1HB   ASP   8          2HB       ASP   8  -5.148   9.274  -4.283
   65   2HB   ASP   8          1HB       ASP   8  -6.870   9.425  -4.616
   66    H    LYS   9           H        LYS   9  -7.278   6.033  -2.395
   67    HA   LYS   9           HA       LYS   9 -10.029   6.701  -3.208
   68   1HB   LYS   9          2HB       LYS   9  -8.919   3.912  -3.255
   69   2HB   LYS   9          1HB       LYS   9 -10.293   4.564  -4.137
   70   1HG   LYS   9          2HG       LYS   9  -7.486   5.486  -4.665
   71   2HG   LYS   9          1HG       LYS   9  -8.178   4.069  -5.458
   72   1HD   LYS   9          2HD       LYS   9  -9.622   5.310  -6.717
   73   2HD   LYS   9          1HD       LYS   9  -9.762   6.581  -5.501
   74   1HE   LYS   9          2HE       LYS   9  -7.563   7.418  -6.079
   75   2HE   LYS   9          1HE       LYS   9  -7.335   6.099  -7.227
   76   1HZ   LYS   9          1HZ       LYS   9  -9.719   7.373  -7.889
   77   2HZ   LYS   9          2HZ       LYS   9  -8.272   7.364  -8.764
   78   3HZ   LYS   9          3HZ       LYS   9  -8.571   8.592  -7.640
   79    H    VAL  10           H        VAL  10  -8.304   4.272  -1.271
   80    HA   VAL  10           HA       VAL  10 -10.242   4.708   0.895
   81    HB   VAL  10           HB       VAL  10  -9.317   2.043  -0.177
   82   1HG1  VAL  10          1HG1      VAL  10  -9.196   2.000   2.248
   83   2HG1  VAL  10          2HG1      VAL  10 -10.554   1.029   1.681
   84   3HG1  VAL  10          3HG1      VAL  10 -10.838   2.633   2.359
   85   1HG2  VAL  10          1HG2      VAL  10 -11.664   1.604  -0.508
   86   2HG2  VAL  10          2HG2      VAL  10 -11.240   3.118  -1.306
   87   3HG2  VAL  10          3HG2      VAL  10 -12.094   3.142   0.237
   88    H    LEU  11           H        LEU  11  -7.057   3.628  -0.101
   89    HA   LEU  11           HA       LEU  11  -5.154   3.157   1.090
   90   1HB   LEU  11          2HB       LEU  11  -4.553   5.209   2.543
   91   2HB   LEU  11          1HB       LEU  11  -4.713   5.399   0.807
   92    HG   LEU  11           HG       LEU  11  -7.072   5.962   2.556
   93   1HD1  LEU  11          1HD1      LEU  11  -6.287   7.887   3.400
   94   2HD1  LEU  11          2HD1      LEU  11  -5.386   8.275   1.935
   95   3HD1  LEU  11          3HD1      LEU  11  -4.699   7.170   3.125
   96   1HD2  LEU  11          1HD2      LEU  11  -6.067   7.167  -0.020
   97   2HD2  LEU  11          2HD2      LEU  11  -7.592   7.543   0.784
   98   3HD2  LEU  11          3HD2      LEU  11  -7.320   5.933   0.118
   99    H    ILE  12           H        ILE  12  -7.020   1.620   2.280
  100    HA   ILE  12           HA       ILE  12  -7.373   2.144   5.048
  101    HB   ILE  12           HB       ILE  12  -7.715  -0.432   5.149
  102   1HG1  ILE  12          2HG1      ILE  12  -8.696  -0.771   2.565
  103   2HG1  ILE  12          1HG1      ILE  12  -7.103  -0.074   2.348
  104   1HG2  ILE  12          1HG2      ILE  12  -9.984   0.053   3.801
  105   2HG2  ILE  12          2HG2      ILE  12  -9.430   1.697   4.117
  106   3HG2  ILE  12          3HG2      ILE  12  -9.675   0.576   5.457
  107   1HD1  ILE  12          1HD1      ILE  12  -6.550  -1.947   4.195
  108   2HD1  ILE  12          2HD1      ILE  12  -6.438  -2.205   2.454
  109   3HD1  ILE  12          3HD1      ILE  12  -7.881  -2.716   3.330
  110    H    ARG  13           H        ARG  13  -5.707   2.318   6.400
  111    HA   ARG  13           HA       ARG  13  -3.163   1.205   6.029
  112   1HB   ARG  13          2HB       ARG  13  -4.532   2.723   8.068
  113   2HB   ARG  13          1HB       ARG  13  -3.567   1.454   8.810
  114   1HG   ARG  13          2HG       ARG  13  -1.931   2.981   8.699
  115   2HG   ARG  13          1HG       ARG  13  -1.795   2.435   7.026
  116   1HD   ARG  13          2HD       ARG  13  -2.338   4.460   6.295
  117   2HD   ARG  13          1HD       ARG  13  -3.859   4.394   7.185
  118    HE   ARG  13           HE       ARG  13  -1.492   5.835   7.913
  119   1HH1  ARG  13          1HH1      ARG  13  -4.349   4.262   9.142
  120   2HH1  ARG  13          2HH1      ARG  13  -4.403   5.208  10.592
  121   1HH2  ARG  13          1HH2      ARG  13  -1.555   7.083   9.818
  122   2HH2  ARG  13          2HH2      ARG  13  -2.814   6.813  10.976
  123    H    SER  14           H        SER  14  -6.098  -0.193   6.991
  124    HA   SER  14           HA       SER  14  -5.800  -2.122   8.744
  125   1HB   SER  14          2HB       SER  14  -7.081  -2.102   6.081
  126   2HB   SER  14          1HB       SER  14  -6.865  -3.686   6.825
  127    HG   SER  14           HG       SER  14  -8.641  -3.161   7.831
  128    H    ARG  15           H        ARG  15  -5.215  -3.328   5.505
  129    HA   ARG  15           HA       ARG  15  -2.510  -3.993   5.822
  130   1HB   ARG  15          2HB       ARG  15  -2.852  -6.517   6.093
  131   2HB   ARG  15          1HB       ARG  15  -3.000  -5.524   7.536
  132   1HG   ARG  15          2HG       ARG  15  -5.268  -5.823   7.683
  133   2HG   ARG  15          1HG       ARG  15  -5.448  -6.151   5.960
  134   1HD   ARG  15          2HD       ARG  15  -4.798  -7.972   8.185
  135   2HD   ARG  15          1HD       ARG  15  -5.694  -8.271   6.700
  136    HE   ARG  15           HE       ARG  15  -3.681  -8.740   5.595
  137   1HH1  ARG  15          1HH1      ARG  15  -3.154  -7.902   8.946
  138   2HH1  ARG  15          2HH1      ARG  15  -1.562  -8.579   8.992
  139   1HH2  ARG  15          1HH2      ARG  15  -1.578  -9.621   5.659
  140   2HH2  ARG  15          2HH2      ARG  15  -0.668  -9.552   7.131
  141    H    SER  16           H        SER  16  -4.339  -3.072   3.873
  142    HA   SER  16           HA       SER  16  -3.450  -4.668   1.660
  143   1HB   SER  16          2HB       SER  16  -6.374  -4.467   1.487
  144   2HB   SER  16          1HB       SER  16  -5.309  -5.815   1.089
  145    HG   SER  16           HG       SER  16  -5.787  -6.663   2.939
  146    H    ASN  17           H        ASN  17  -2.911  -2.071   2.215
  147    HA   ASN  17           HA       ASN  17  -3.853  -0.762  -0.133
  148   1HB   ASN  17          2HB       ASN  17  -5.342  -0.412   2.272
  149   2HB   ASN  17          1HB       ASN  17  -4.538   1.103   1.891
  150   1HD2  ASN  17          1HD2      ASN  17  -6.243  -1.485   0.161
  151   2HD2  ASN  17          2HD2      ASN  17  -7.209  -0.432  -0.812
  152    H    CYS  18           H        CYS  18  -2.697   1.126  -0.611
  153    HA   CYS  18           HA       CYS  18  -0.333   1.549   1.084
  154   1HB   CYS  18          2HB       CYS  18  -0.239   2.651  -1.626
  155   2HB   CYS  18          1HB       CYS  18   0.945   1.685  -0.778
  156    HA   PRO  19           HA       PRO  19  -2.572   5.304   2.205
  157   1HB   PRO  19          2HB       PRO  19   0.135   5.780   3.373
  158   2HB   PRO  19          1HB       PRO  19  -1.461   6.003   4.102
  159   1HG   PRO  19          2HG       PRO  19   0.022   3.893   4.738
  160   2HG   PRO  19          1HG       PRO  19  -1.732   3.736   4.525
  161   1HD   PRO  19          2HD       PRO  19   0.482   2.905   2.709
  162   2HD   PRO  19          1HD       PRO  19  -1.091   2.138   2.998
  163    H    LYS  20           H        LYS  20  -2.482   7.449   1.569
  164    HA   LYS  20           HA       LYS  20  -1.672   8.245  -0.834
  165   1HB   LYS  20          2HB       LYS  20  -1.356  10.566   0.139
  166   2HB   LYS  20          1HB       LYS  20  -2.878   9.774   0.536
  167   1HG   LYS  20          2HG       LYS  20  -1.823   9.038   2.685
  168   2HG   LYS  20          1HG       LYS  20  -0.463  10.090   2.290
  169   1HD   LYS  20          2HD       LYS  20  -2.996  11.469   2.007
  170   2HD   LYS  20          1HD       LYS  20  -2.795  10.808   3.631
  171   1HE   LYS  20          2HE       LYS  20  -0.860  12.047   4.026
  172   2HE   LYS  20          1HE       LYS  20  -0.590  12.347   2.310
  173   1HZ   LYS  20          1HZ       LYS  20  -3.047  13.453   2.879
  174   2HZ   LYS  20          2HZ       LYS  20  -1.599  14.283   2.606
  175   3HZ   LYS  20          3HZ       LYS  20  -2.061  13.889   4.185
  176    H    GLY  21           H        GLY  21   0.154   9.001  -1.875
  177   1HA   GLY  21          2HA       GLY  21   2.425   8.743  -2.365
  178   2HA   GLY  21          1HA       GLY  21   2.520   9.932  -1.073
  179    H    LYS  22           H        LYS  22   2.606   6.479  -1.785
  180    HA   LYS  22           HA       LYS  22   4.411   6.114   0.479
  181   1HB   LYS  22          2HB       LYS  22   3.215   4.312   1.392
  182   2HB   LYS  22          1HB       LYS  22   2.014   5.547   1.103
  183   1HG   LYS  22          2HG       LYS  22   2.523   3.079  -0.525
  184   2HG   LYS  22          1HG       LYS  22   1.110   3.445   0.463
  185   1HD   LYS  22          2HD       LYS  22   0.209   4.185  -1.447
  186   2HD   LYS  22          1HD       LYS  22   1.200   5.598  -1.188
  187   1HE   LYS  22          2HE       LYS  22   1.287   4.393  -3.481
  188   2HE   LYS  22          1HE       LYS  22   2.783   4.949  -2.740
  189   1HZ   LYS  22          1HZ       LYS  22   2.721   2.599  -3.674
  190   2HZ   LYS  22          2HZ       LYS  22   1.804   2.202  -2.314
  191   3HZ   LYS  22          3HZ       LYS  22   3.369   2.805  -2.128
  192    H    VAL  23           H        VAL  23   4.562   3.309   0.232
  193    HA   VAL  23           HA       VAL  23   5.179   2.616  -2.473
  194    HB   VAL  23           HB       VAL  23   7.673   2.233  -1.185
  195   1HG1  VAL  23          1HG1      VAL  23   7.314   2.330  -3.570
  196   2HG1  VAL  23          2HG1      VAL  23   8.466   3.574  -3.087
  197   3HG1  VAL  23          3HG1      VAL  23   6.796   4.010  -3.447
  198   1HG2  VAL  23          1HG2      VAL  23   6.793   5.118  -1.176
  199   2HG2  VAL  23          2HG2      VAL  23   8.397   4.506  -0.776
  200   3HG2  VAL  23          3HG2      VAL  23   7.024   4.126   0.265
  201    H    TRP  24           H        TRP  24   4.739   0.502  -2.624
  202    HA   TRP  24           HA       TRP  24   4.456  -1.124  -0.345
  203   1HB   TRP  24          2HB       TRP  24   3.089  -1.750  -2.088
  204   2HB   TRP  24          1HB       TRP  24   4.346  -1.520  -3.268
  205    HD1  TRP  24           HD       TRP  24   5.936  -3.601  -3.792
  206    HE1  TRP  24           1HE      TRP  24   5.665  -6.115  -3.346
  207    HE3  TRP  24           3HE      TRP  24   2.273  -3.372  -0.284
  208    HZ2  TRP  24           2HZ      TRP  24   4.091  -7.786  -1.712
  209    HZ3  TRP  24           3HZ      TRP  24   1.458  -5.478   0.700
  210    HH2  TRP  24           HH       TRP  24   2.334  -7.632  -0.004
  211    H    ASN  25           H        ASN  25   5.493  -3.262  -0.219
  212    HA   ASN  25           HA       ASN  25   8.302  -3.343  -1.003
  213   1HB   ASN  25          2HB       ASN  25   7.824  -2.249   1.379
  214   2HB   ASN  25          1HB       ASN  25   7.722  -3.940   1.862
  215   1HD2  ASN  25          1HD2      ASN  25   9.542  -5.081   2.121
  216   2HD2  ASN  25          2HD2      ASN  25  11.133  -4.476   1.821
  217    H    GLY  26           H        GLY  26   9.221  -5.511   0.105
  218   1HA   GLY  26          2HA       GLY  26   8.406  -7.663  -1.180
  219   2HA   GLY  26          1HA       GLY  26   8.932  -7.794   0.486
  220    H    PHE  27           H        PHE  27   6.557  -6.401   1.583
  221    HA   PHE  27           HA       PHE  27   4.268  -7.854   0.723
  222   1HB   PHE  27          2HB       PHE  27   5.978  -9.053   2.708
  223   2HB   PHE  27          1HB       PHE  27   4.383  -8.728   3.379
  224    HD1  PHE  27           1HD      PHE  27   2.401  -9.387   1.693
  225    HD2  PHE  27           2HD      PHE  27   6.296 -11.104   1.743
  226    HE1  PHE  27           1HE      PHE  27   1.522 -11.402   0.591
  227    HE2  PHE  27           2HE      PHE  27   5.423 -13.122   0.638
  228    HZ   PHE  27           HZ       PHE  27   3.033 -13.274   0.061
  229    H    ASP  28           H        ASP  28   4.530  -5.131   0.979
  230    HA   ASP  28           HA       ASP  28   2.421  -4.525   2.811
  231   1HB   ASP  28          2HB       ASP  28   5.226  -3.926   3.621
  232   2HB   ASP  28          1HB       ASP  28   3.939  -2.813   4.073
  233    H    CYS  29           H        CYS  29   1.514  -2.509   2.437
  234    HA   CYS  29           HA       CYS  29   2.785  -0.965   0.276
  235   1HB   CYS  29          2HB       CYS  29   0.171  -2.050   0.541
  236   2HB   CYS  29          1HB       CYS  29   0.039  -0.294   0.580
  237    H    LYS  30           H        LYS  30   3.949   0.525   1.501
  238    HA   LYS  30           HA       LYS  30   2.438   2.712   2.554
  239   1HB   LYS  30          2HB       LYS  30   4.293   1.786   4.656
  240   2HB   LYS  30          1HB       LYS  30   2.761   2.628   4.796
  241   1HG   LYS  30          2HG       LYS  30   2.763  -0.218   3.964
  242   2HG   LYS  30          1HG       LYS  30   3.057   0.192   5.648
  243   1HD   LYS  30          2HD       LYS  30   0.943   1.003   5.974
  244   2HD   LYS  30          1HD       LYS  30   0.751   1.485   4.288
  245   1HE   LYS  30          2HE       LYS  30  -0.207  -0.458   3.750
  246   2HE   LYS  30          1HE       LYS  30   1.053  -1.385   4.566
  247   1HZ   LYS  30          1HZ       LYS  30  -0.192  -1.610   6.405
  248   2HZ   LYS  30          2HZ       LYS  30  -1.490  -1.285   5.370
  249   3HZ   LYS  30          3HZ       LYS  30  -0.832  -0.045   6.314
  250    H    SER  31           H        SER  31   3.916   4.385   3.515
  251    HA   SER  31           HA       SER  31   5.713   5.273   1.711
  252   1HB   SER  31          2HB       SER  31   6.861   6.492   3.647
  253   2HB   SER  31          1HB       SER  31   5.124   6.751   3.475
  254    HG   SER  31           HG       SER  31   6.328   5.979   5.619
  255    HA   PRO  32           HA       PRO  32   9.333   2.796   2.060
  256   1HB   PRO  32          2HB       PRO  32  11.261   4.444   1.203
  257   2HB   PRO  32          1HB       PRO  32   9.951   3.923   0.137
  258   1HG   PRO  32          2HG       PRO  32  10.341   6.526   1.529
  259   2HG   PRO  32          1HG       PRO  32   9.634   6.196  -0.060
  260   1HD   PRO  32          2HD       PRO  32   8.218   6.668   2.315
  261   2HD   PRO  32          1HD       PRO  32   7.551   5.990   0.819
  262    H    PHE  33           H        PHE  33   8.710   5.022   4.317
  263    HA   PHE  33           HA       PHE  33  11.315   4.891   5.640
  264   1HB   PHE  33          2HB       PHE  33   8.996   6.268   6.895
  265   2HB   PHE  33          1HB       PHE  33  10.693   6.733   6.859
  266    HD1  PHE  33           1HD      PHE  33  11.453   7.048   4.195
  267    HD2  PHE  33           2HD      PHE  33   7.639   7.822   5.918
  268    HE1  PHE  33           1HE      PHE  33  10.969   8.657   2.396
  269    HE2  PHE  33           2HE      PHE  33   7.149   9.430   4.121
  270    HZ   PHE  33           HZ       PHE  33   8.815   9.848   2.356
  271    H    ALA  34           H        ALA  34   8.375   3.267   5.505
  272    HA   ALA  34           HA       ALA  34   8.620   2.245   8.248
  273   1HB   ALA  34          1HB       ALA  34   6.362   1.684   8.182
  274   2HB   ALA  34          2HB       ALA  34   6.319   1.673   6.419
  275   3HB   ALA  34          3HB       ALA  34   6.429   3.204   7.288
  276    H    PHE  35           H        PHE  35  10.563   1.320   6.567
  277    HA   PHE  35           HA       PHE  35  10.068  -1.506   6.628
  278   1HB   PHE  35          2HB       PHE  35  10.545  -0.169   3.954
  279   2HB   PHE  35          1HB       PHE  35  10.587  -1.906   4.236
  280    HD1  PHE  35           1HD      PHE  35   8.639   0.650   3.011
  281    HD2  PHE  35           2HD      PHE  35   8.373  -2.764   5.538
  282    HE1  PHE  35           1HE      PHE  35   6.219   0.530   2.587
  283    HE2  PHE  35           2HE      PHE  35   5.950  -2.890   5.119
  284    HZ   PHE  35           HZ       PHE  35   4.871  -1.242   3.643
  285    H    SER  36           H        SER  36  11.895   0.455   7.780
  286    HA   SER  36           HA       SER  36  14.442   0.324   6.589
  287   1HB   SER  36          2HB       SER  36  14.839   1.812   8.212
  288   2HB   SER  36          1HB       SER  36  13.288   1.428   8.955
  289    HG   SER  36           HG       SER  36  15.437   1.065  10.137
  Start of MODEL   11
    1   1H    GLU   1          1HT       GLU   1  -5.498  -7.925 -10.652
    2   2H    GLU   1          2HT       GLU   1  -6.809  -8.693 -11.449
    3   3H    GLU   1          3HT       GLU   1  -6.732  -8.681  -9.735
    4    HA   GLU   1           HA       GLU   1  -7.803  -6.785 -11.516
    5   1HB   GLU   1          2HB       GLU   1  -8.986  -6.132  -9.548
    6   2HB   GLU   1          1HB       GLU   1  -8.810  -7.880  -9.478
    7   1HG   GLU   1          2HG       GLU   1  -6.725  -7.390  -8.049
    8   2HG   GLU   1          1HG       GLU   1  -7.421  -5.780  -7.868
    9    H    LEU   2           H        LEU   2  -7.848  -4.429 -10.769
   10    HA   LEU   2           HA       LEU   2  -5.587  -3.105 -11.351
   11   1HB   LEU   2          2HB       LEU   2  -7.754  -2.356  -9.406
   12   2HB   LEU   2          1HB       LEU   2  -6.442  -1.258  -9.788
   13    HG   LEU   2           HG       LEU   2  -7.578  -2.206 -12.234
   14   1HD1  LEU   2          1HD1      LEU   2  -9.645  -2.668 -11.281
   15   2HD1  LEU   2          2HD1      LEU   2  -9.821  -1.004 -11.841
   16   3HD1  LEU   2          3HD1      LEU   2  -9.524  -1.333 -10.134
   17   1HD2  LEU   2          1HD2      LEU   2  -6.484  -0.173 -12.316
   18   2HD2  LEU   2          2HD2      LEU   2  -7.229   0.407 -10.825
   19   3HD2  LEU   2          3HD2      LEU   2  -8.176   0.322 -12.310
   20    HA   PRO   3           HA       PRO   3  -2.744  -4.450  -8.142
   21   1HB   PRO   3          2HB       PRO   3  -1.064  -2.378  -9.440
   22   2HB   PRO   3          1HB       PRO   3  -0.704  -4.076  -9.109
   23   1HG   PRO   3          2HG       PRO   3  -1.232  -3.239 -11.591
   24   2HG   PRO   3          1HG       PRO   3  -1.801  -4.816 -11.011
   25   1HD   PRO   3          2HD       PRO   3  -3.318  -2.262 -11.358
   26   2HD   PRO   3          1HD       PRO   3  -3.832  -3.932 -11.678
   27    H    LYS   4           H        LYS   4  -2.709  -3.711  -6.130
   28    HA   LYS   4           HA       LYS   4  -3.847  -1.682  -4.940
   29   1HB   LYS   4          2HB       LYS   4  -1.087  -2.742  -4.388
   30   2HB   LYS   4          1HB       LYS   4  -1.820  -1.529  -3.350
   31   1HG   LYS   4          2HG       LYS   4  -2.507  -3.342  -2.215
   32   2HG   LYS   4          1HG       LYS   4  -3.812  -3.320  -3.403
   33   1HD   LYS   4          2HD       LYS   4  -2.781  -5.562  -3.093
   34   2HD   LYS   4          1HD       LYS   4  -2.684  -4.963  -4.750
   35   1HE   LYS   4          2HE       LYS   4  -0.592  -6.047  -3.783
   36   2HE   LYS   4          1HE       LYS   4  -0.398  -4.474  -4.556
   37   1HZ   LYS   4          1HZ       LYS   4  -0.794  -4.745  -1.638
   38   2HZ   LYS   4          2HZ       LYS   4  -0.197  -3.415  -2.495
   39   3HZ   LYS   4          3HZ       LYS   4   0.742  -4.812  -2.342
   40    H    LEU   5           H        LEU   5  -3.850   0.491  -4.843
   41    HA   LEU   5           HA       LEU   5  -1.635   2.166  -5.122
   42   1HB   LEU   5          2HB       LEU   5  -2.272   3.180  -7.367
   43   2HB   LEU   5          1HB       LEU   5  -1.429   1.642  -7.392
   44    HG   LEU   5           HG       LEU   5  -3.810   0.612  -7.546
   45   1HD1  LEU   5          1HD1      LEU   5  -5.161   2.347  -9.018
   46   2HD1  LEU   5          2HD1      LEU   5  -4.305   3.499  -7.995
   47   3HD1  LEU   5          3HD1      LEU   5  -5.338   2.270  -7.266
   48   1HD2  LEU   5          1HD2      LEU   5  -2.839   2.125  -9.953
   49   2HD2  LEU   5          2HD2      LEU   5  -3.643   0.556  -9.893
   50   3HD2  LEU   5          3HD2      LEU   5  -1.986   0.722  -9.309
   51    HA   PRO   6           HA       PRO   6  -5.555   4.421  -4.058
   52   1HB   PRO   6          2HB       PRO   6  -6.263   3.482  -1.655
   53   2HB   PRO   6          1HB       PRO   6  -6.621   2.568  -3.125
   54   1HG   PRO   6          2HG       PRO   6  -4.702   1.967  -0.998
   55   2HG   PRO   6          1HG       PRO   6  -5.328   0.905  -2.268
   56   1HD   PRO   6          2HD       PRO   6  -2.835   2.469  -2.210
   57   2HD   PRO   6          1HD       PRO   6  -3.282   1.110  -3.255
   58    H    ASP   7           H        ASP   7  -6.061   5.605  -1.738
   59    HA   ASP   7           HA       ASP   7  -3.985   6.152   0.019
   60   1HB   ASP   7          2HB       ASP   7  -3.318   8.437  -0.780
   61   2HB   ASP   7          1HB       ASP   7  -2.719   7.100  -1.760
   62    H    ASP   8           H        ASP   8  -6.394   8.051  -1.782
   63    HA   ASP   8           HA       ASP   8  -7.509   8.883   0.818
   64   1HB   ASP   8          2HB       ASP   8  -7.157  10.358  -1.762
   65   2HB   ASP   8          1HB       ASP   8  -8.484  10.802  -0.691
   66    H    LYS   9           H        LYS   9  -8.471   6.556   0.181
   67    HA   LYS   9           HA       LYS   9 -11.186   7.134  -0.717
   68   1HB   LYS   9          2HB       LYS   9 -10.013   4.583  -1.684
   69   2HB   LYS   9          1HB       LYS   9 -11.255   5.593  -2.411
   70   1HG   LYS   9          2HG       LYS   9  -8.340   6.330  -2.331
   71   2HG   LYS   9          1HG       LYS   9  -9.105   5.483  -3.677
   72   1HD   LYS   9          2HD       LYS   9 -10.742   7.695  -3.154
   73   2HD   LYS   9          1HD       LYS   9  -9.087   8.297  -3.051
   74   1HE   LYS   9          2HE       LYS   9 -10.000   6.589  -5.342
   75   2HE   LYS   9          1HE       LYS   9 -10.229   8.338  -5.339
   76   1HZ   LYS   9          1HZ       LYS   9  -8.080   7.233  -6.334
   77   2HZ   LYS   9          2HZ       LYS   9  -7.563   7.310  -4.726
   78   3HZ   LYS   9          3HZ       LYS   9  -8.015   8.724  -5.536
   79    H    VAL  10           H        VAL  10  -9.125   4.439   0.351
   80    HA   VAL  10           HA       VAL  10 -10.869   4.000   2.627
   81    HB   VAL  10           HB       VAL  10 -10.500   1.969   0.440
   82   1HG1  VAL  10          1HG1      VAL  10 -11.585   1.486   3.209
   83   2HG1  VAL  10          2HG1      VAL  10 -10.027   0.917   2.607
   84   3HG1  VAL  10          3HG1      VAL  10 -11.523   0.317   1.889
   85   1HG2  VAL  10          1HG2      VAL  10 -12.385   3.599   0.309
   86   2HG2  VAL  10          2HG2      VAL  10 -12.999   2.932   1.822
   87   3HG2  VAL  10          3HG2      VAL  10 -12.891   1.912   0.387
   88    H    LEU  11           H        LEU  11  -7.887   3.276   0.914
   89    HA   LEU  11           HA       LEU  11  -5.963   2.222   1.578
   90   1HB   LEU  11          2HB       LEU  11  -6.192   3.623   4.177
   91   2HB   LEU  11          1HB       LEU  11  -4.830   3.506   3.082
   92    HG   LEU  11           HG       LEU  11  -6.029   5.106   1.556
   93   1HD1  LEU  11          1HD1      LEU  11  -7.682   6.512   3.159
   94   2HD1  LEU  11          2HD1      LEU  11  -8.015   4.871   3.715
   95   3HD1  LEU  11          3HD1      LEU  11  -8.225   5.286   2.013
   96   1HD2  LEU  11          1HD2      LEU  11  -5.795   6.966   3.554
   97   2HD2  LEU  11          2HD2      LEU  11  -4.472   6.357   2.560
   98   3HD2  LEU  11          3HD2      LEU  11  -4.788   5.644   4.142
   99    H    ILE  12           H        ILE  12  -7.400   0.180   1.822
  100    HA   ILE  12           HA       ILE  12  -7.976  -0.669   4.494
  101    HB   ILE  12           HB       ILE  12  -8.143  -2.977   3.342
  102   1HG1  ILE  12          2HG1      ILE  12  -8.773  -1.745   0.799
  103   2HG1  ILE  12          1HG1      ILE  12  -7.078  -1.545   1.215
  104   1HG2  ILE  12          1HG2      ILE  12  -9.913  -0.778   3.564
  105   2HG2  ILE  12          2HG2      ILE  12 -10.276  -2.505   3.594
  106   3HG2  ILE  12          3HG2      ILE  12 -10.259  -1.634   2.061
  107   1HD1  ILE  12          1HD1      ILE  12  -7.887  -3.637  -0.111
  108   2HD1  ILE  12          2HD1      ILE  12  -8.315  -4.230   1.495
  109   3HD1  ILE  12          3HD1      ILE  12  -6.646  -3.788   1.133
  110    H    ARG  13           H        ARG  13  -6.287  -0.929   5.846
  111    HA   ARG  13           HA       ARG  13  -3.691  -1.665   5.167
  112   1HB   ARG  13          2HB       ARG  13  -5.243  -1.394   7.599
  113   2HB   ARG  13          1HB       ARG  13  -4.156  -2.771   7.703
  114   1HG   ARG  13          2HG       ARG  13  -2.566  -1.341   8.287
  115   2HG   ARG  13          1HG       ARG  13  -2.596  -0.748   6.625
  116   1HD   ARG  13          2HD       ARG  13  -3.657   1.155   7.189
  117   2HD   ARG  13          1HD       ARG  13  -4.694   0.344   8.362
  118    HE   ARG  13           HE       ARG  13  -2.340   1.794   8.927
  119   1HH1  ARG  13          1HH1      ARG  13  -4.039  -1.101   9.857
  120   2HH1  ARG  13          2HH1      ARG  13  -3.406  -1.111  11.468
  121   1HH2  ARG  13          1HH2      ARG  13  -1.496   1.785  11.047
  122   2HH2  ARG  13          2HH2      ARG  13  -1.960   0.529  12.144
  123    H    SER  14           H        SER  14  -6.570  -3.484   5.268
  124    HA   SER  14           HA       SER  14  -6.233  -5.989   5.884
  125   1HB   SER  14          2HB       SER  14  -7.315  -4.819   3.365
  126   2HB   SER  14          1HB       SER  14  -7.180  -6.573   3.487
  127    HG   SER  14           HG       SER  14  -8.249  -5.808   5.738
  128    H    ARG  15           H        ARG  15  -5.432  -5.528   2.501
  129    HA   ARG  15           HA       ARG  15  -2.717  -6.243   2.689
  130   1HB   ARG  15          2HB       ARG  15  -3.164  -8.594   1.565
  131   2HB   ARG  15          1HB       ARG  15  -3.115  -8.417   3.315
  132   1HG   ARG  15          2HG       ARG  15  -5.191  -9.158   3.493
  133   2HG   ARG  15          1HG       ARG  15  -5.771  -7.917   2.379
  134   1HD   ARG  15          2HD       ARG  15  -4.743 -10.668   1.721
  135   2HD   ARG  15          1HD       ARG  15  -6.357 -10.017   1.441
  136    HE   ARG  15           HE       ARG  15  -4.680  -8.390   0.014
  137   1HH1  ARG  15          1HH1      ARG  15  -5.368 -11.802   0.092
  138   2HH1  ARG  15          2HH1      ARG  15  -5.012 -12.043  -1.586
  139   1HH2  ARG  15          1HH2      ARG  15  -4.206  -8.700  -2.198
  140   2HH2  ARG  15          2HH2      ARG  15  -4.351 -10.283  -2.886
  141    H    SER  16           H        SER  16  -4.408  -4.468   1.276
  142    HA   SER  16           HA       SER  16  -3.275  -4.796  -1.331
  143   1HB   SER  16          2HB       SER  16  -5.439  -6.285  -1.208
  144   2HB   SER  16          1HB       SER  16  -6.262  -4.743  -1.447
  145    HG   SER  16           HG       SER  16  -5.348  -4.540  -3.409
  146    H    ASN  17           H        ASN  17  -2.971  -2.718   0.409
  147    HA   ASN  17           HA       ASN  17  -3.945  -0.537  -1.182
  148   1HB   ASN  17          2HB       ASN  17  -5.284  -1.280   1.277
  149   2HB   ASN  17          1HB       ASN  17  -4.661   0.358   1.344
  150   1HD2  ASN  17          1HD2      ASN  17  -6.468  -1.804  -0.799
  151   2HD2  ASN  17          2HD2      ASN  17  -7.545  -0.595  -1.404
  152    H    CYS  18           H        CYS  18  -2.981   1.459  -0.687
  153    HA   CYS  18           HA       CYS  18  -0.707   1.425   1.167
  154   1HB   CYS  18          2HB       CYS  18  -0.219   3.011  -1.243
  155   2HB   CYS  18          1HB       CYS  18   0.824   1.849  -0.457
  156    HA   PRO  19           HA       PRO  19  -2.541   5.329   2.261
  157   1HB   PRO  19          2HB       PRO  19  -0.611   6.292   3.861
  158   2HB   PRO  19          1HB       PRO  19  -1.615   4.919   4.343
  159   1HG   PRO  19          2HG       PRO  19   1.173   4.948   3.268
  160   2HG   PRO  19          1HG       PRO  19   0.475   3.950   4.556
  161   1HD   PRO  19          2HD       PRO  19   0.858   3.102   1.963
  162   2HD   PRO  19          1HD       PRO  19  -0.333   2.408   3.078
  163    H    LYS  20           H        LYS  20  -2.510   7.392   1.475
  164    HA   LYS  20           HA       LYS  20  -1.463   8.256  -0.766
  165   1HB   LYS  20          2HB       LYS  20  -1.435  10.559   0.091
  166   2HB   LYS  20          1HB       LYS  20  -2.850   9.674   0.655
  167   1HG   LYS  20          2HG       LYS  20  -1.720   9.259   2.790
  168   2HG   LYS  20          1HG       LYS  20  -0.337  10.197   2.223
  169   1HD   LYS  20          2HD       LYS  20  -2.993  11.500   2.070
  170   2HD   LYS  20          1HD       LYS  20  -2.316  11.259   3.682
  171   1HE   LYS  20          2HE       LYS  20  -0.564  12.396   1.564
  172   2HE   LYS  20          1HE       LYS  20  -1.801  13.434   2.270
  173   1HZ   LYS  20          1HZ       LYS  20   0.061  11.899   3.972
  174   2HZ   LYS  20          2HZ       LYS  20  -0.848  13.269   4.369
  175   3HZ   LYS  20          3HZ       LYS  20   0.493  13.411   3.347
  176    H    GLY  21           H        GLY  21   0.438   8.711  -1.710
  177   1HA   GLY  21          2HA       GLY  21   2.720   8.778  -2.014
  178   2HA   GLY  21          1HA       GLY  21   2.722   9.775  -0.562
  179    H    LYS  22           H        LYS  22   3.015   6.497  -1.801
  180    HA   LYS  22           HA       LYS  22   4.608   5.810   0.508
  181   1HB   LYS  22          2HB       LYS  22   3.305   3.894   1.108
  182   2HB   LYS  22          1HB       LYS  22   2.260   5.304   1.121
  183   1HG   LYS  22          2HG       LYS  22   2.245   2.929  -0.631
  184   2HG   LYS  22          1HG       LYS  22   0.907   3.832   0.072
  185   1HD   LYS  22          2HD       LYS  22   2.594   4.875  -2.197
  186   2HD   LYS  22          1HD       LYS  22   1.130   3.940  -2.438
  187   1HE   LYS  22          2HE       LYS  22   1.218   6.496  -0.855
  188   2HE   LYS  22          1HE       LYS  22   0.830   6.420  -2.566
  189   1HZ   LYS  22          1HZ       LYS  22  -1.087   5.150  -2.118
  190   2HZ   LYS  22          2HZ       LYS  22  -1.109   6.435  -1.017
  191   3HZ   LYS  22          3HZ       LYS  22  -0.638   4.896  -0.510
  192    H    VAL  23           H        VAL  23   4.761   3.113   0.147
  193    HA   VAL  23           HA       VAL  23   5.269   2.423  -2.579
  194    HB   VAL  23           HB       VAL  23   7.801   2.003  -1.334
  195   1HG1  VAL  23          1HG1      VAL  23   6.969   2.245  -3.797
  196   2HG1  VAL  23          2HG1      VAL  23   8.605   2.732  -3.358
  197   3HG1  VAL  23          3HG1      VAL  23   7.343   3.949  -3.542
  198   1HG2  VAL  23          1HG2      VAL  23   7.032   4.066  -0.038
  199   2HG2  VAL  23          2HG2      VAL  23   7.176   4.930  -1.568
  200   3HG2  VAL  23          3HG2      VAL  23   8.591   4.157  -0.854
  201    H    TRP  24           H        TRP  24   4.860   0.312  -2.729
  202    HA   TRP  24           HA       TRP  24   4.516  -1.279  -0.433
  203   1HB   TRP  24          2HB       TRP  24   3.119  -1.869  -2.174
  204   2HB   TRP  24          1HB       TRP  24   4.394  -1.715  -3.356
  205    HD1  TRP  24           HD       TRP  24   5.969  -3.862  -3.761
  206    HE1  TRP  24           1HE      TRP  24   5.581  -6.357  -3.279
  207    HE3  TRP  24           3HE      TRP  24   2.160  -3.423  -0.431
  208    HZ2  TRP  24           2HZ      TRP  24   3.869  -7.933  -1.684
  209    HZ3  TRP  24           3HZ      TRP  24   1.219  -5.475   0.554
  210    HH2  TRP  24           HH       TRP  24   2.042  -7.675  -0.065
  211    H    ASN  25           H        ASN  25   5.460  -3.414  -0.220
  212    HA   ASN  25           HA       ASN  25   8.259  -3.630  -1.009
  213   1HB   ASN  25          2HB       ASN  25   7.913  -2.435   1.303
  214   2HB   ASN  25          1HB       ASN  25   7.591  -4.068   1.882
  215   1HD2  ASN  25          1HD2      ASN  25   9.295  -4.995   2.737
  216   2HD2  ASN  25          2HD2      ASN  25  10.936  -4.773   2.245
  217    H    GLY  26           H        GLY  26   9.066  -5.798   0.257
  218   1HA   GLY  26          2HA       GLY  26   8.252  -7.957  -0.999
  219   2HA   GLY  26          1HA       GLY  26   8.665  -8.050   0.701
  220    H    PHE  27           H        PHE  27   6.258  -6.561   1.622
  221    HA   PHE  27           HA       PHE  27   4.010  -7.999   0.625
  222   1HB   PHE  27          2HB       PHE  27   5.560  -9.157   2.761
  223   2HB   PHE  27          1HB       PHE  27   3.926  -8.800   3.306
  224    HD1  PHE  27           1HD      PHE  27   5.997 -11.062   1.496
  225    HD2  PHE  27           2HD      PHE  27   1.992  -9.680   1.896
  226    HE1  PHE  27           1HE      PHE  27   5.184 -13.114   0.407
  227    HE2  PHE  27           2HE      PHE  27   1.172 -11.730   0.809
  228    HZ   PHE  27           HZ       PHE  27   2.768 -13.450   0.064
  229    H    ASP  28           H        ASP  28   4.422  -5.235   0.956
  230    HA   ASP  28           HA       ASP  28   2.099  -4.556   2.475
  231   1HB   ASP  28          2HB       ASP  28   4.780  -4.051   3.696
  232   2HB   ASP  28          1HB       ASP  28   3.431  -2.969   4.020
  233    H    CYS  29           H        CYS  29   1.288  -2.610   1.906
  234    HA   CYS  29           HA       CYS  29   2.841  -1.015   0.001
  235   1HB   CYS  29          2HB       CYS  29   0.184  -1.906   0.020
  236   2HB   CYS  29          1HB       CYS  29   0.111  -0.177   0.338
  237    H    LYS  30           H        LYS  30   4.073   0.354   1.308
  238    HA   LYS  30           HA       LYS  30   2.647   2.513   2.529
  239   1HB   LYS  30          2HB       LYS  30   3.429   0.279   4.128
  240   2HB   LYS  30          1HB       LYS  30   4.334   1.697   4.634
  241   1HG   LYS  30          2HG       LYS  30   2.561   2.210   5.852
  242   2HG   LYS  30          1HG       LYS  30   1.821   2.696   4.331
  243   1HD   LYS  30          2HD       LYS  30   0.536   1.100   5.915
  244   2HD   LYS  30          1HD       LYS  30   0.543   0.774   4.186
  245   1HE   LYS  30          2HE       LYS  30   1.940  -1.044   4.398
  246   2HE   LYS  30          1HE       LYS  30   2.645  -0.459   5.906
  247   1HZ   LYS  30          1HZ       LYS  30   1.193  -1.660   7.041
  248   2HZ   LYS  30          2HZ       LYS  30   0.589  -2.300   5.596
  249   3HZ   LYS  30          3HZ       LYS  30  -0.114  -0.915   6.264
  250    H    SER  31           H        SER  31   3.905   4.305   3.042
  251    HA   SER  31           HA       SER  31   5.972   5.013   1.469
  252   1HB   SER  31          2HB       SER  31   5.964   5.893   4.347
  253   2HB   SER  31          1HB       SER  31   6.372   6.834   2.913
  254    HG   SER  31           HG       SER  31   4.005   6.275   2.387
  255    HA   PRO  32           HA       PRO  32   9.656   2.938   2.662
  256   1HB   PRO  32          2HB       PRO  32  11.572   4.844   2.461
  257   2HB   PRO  32          1HB       PRO  32  10.780   4.132   1.050
  258   1HG   PRO  32          2HG       PRO  32  10.259   6.747   2.398
  259   2HG   PRO  32          1HG       PRO  32  10.298   6.363   0.667
  260   1HD   PRO  32          2HD       PRO  32   7.991   6.628   2.095
  261   2HD   PRO  32          1HD       PRO  32   8.137   5.590   0.666
  262    H    PHE  33           H        PHE  33   8.856   5.853   4.369
  263    HA   PHE  33           HA       PHE  33  10.698   5.963   6.386
  264   1HB   PHE  33          2HB       PHE  33   7.817   6.148   7.148
  265   2HB   PHE  33          1HB       PHE  33   9.159   7.195   7.593
  266    HD1  PHE  33           1HD      PHE  33   6.194   7.355   6.092
  267    HD2  PHE  33           2HD      PHE  33  10.273   8.114   5.142
  268    HE1  PHE  33           1HE      PHE  33   5.488   8.958   4.363
  269    HE2  PHE  33           2HE      PHE  33   9.575   9.718   3.411
  270    HZ   PHE  33           HZ       PHE  33   7.180  10.142   3.020
  271    H    ALA  34           H        ALA  34   8.200   3.599   5.832
  272    HA   ALA  34           HA       ALA  34   8.991   2.196   8.307
  273   1HB   ALA  34          1HB       ALA  34   6.713   2.669   8.515
  274   2HB   ALA  34          2HB       ALA  34   6.757   0.996   7.962
  275   3HB   ALA  34          3HB       ALA  34   6.387   2.291   6.824
  276    H    PHE  35           H        PHE  35  10.650   1.899   6.168
  277    HA   PHE  35           HA       PHE  35  10.607  -0.920   5.779
  278   1HB   PHE  35          2HB       PHE  35   9.934   0.852   3.429
  279   2HB   PHE  35          1HB       PHE  35  10.578  -0.775   3.236
  280    HD1  PHE  35           1HD      PHE  35   9.247  -2.528   4.864
  281    HD2  PHE  35           2HD      PHE  35   7.683   1.036   3.145
  282    HE1  PHE  35           1HE      PHE  35   6.971  -3.441   5.049
  283    HE2  PHE  35           2HE      PHE  35   5.405   0.129   3.326
  284    HZ   PHE  35           HZ       PHE  35   5.048  -2.112   4.281
  285    H    SER  36           H        SER  36  11.880   2.211   4.817
  286    HA   SER  36           HA       SER  36  14.026   2.960   4.617
  287   1HB   SER  36          2HB       SER  36  14.325   1.274   6.593
  288   2HB   SER  36          1HB       SER  36  15.116   0.270   5.379
  289    HG   SER  36           HG       SER  36  16.787   1.541   5.446
  Start of MODEL   12
    1   1H    GLU   1          1HT       GLU   1  -8.860  -8.711  -2.298
    2   2H    GLU   1          2HT       GLU   1  -8.394  -7.963  -0.825
    3   3H    GLU   1          3HT       GLU   1  -7.450  -9.239  -1.478
    4    HA   GLU   1           HA       GLU   1  -7.488  -7.533  -3.503
    5   1HB   GLU   1          2HB       GLU   1  -8.638  -6.048  -1.606
    6   2HB   GLU   1          1HB       GLU   1  -6.959  -5.750  -1.175
    7   1HG   GLU   1          2HG       GLU   1  -6.565  -4.499  -3.007
    8   2HG   GLU   1          1HG       GLU   1  -7.628  -5.465  -4.028
    9    H    LEU   2           H        LEU   2  -5.721  -8.900  -3.841
   10    HA   LEU   2           HA       LEU   2  -3.495  -8.903  -2.015
   11   1HB   LEU   2          2HB       LEU   2  -4.307 -10.374  -4.399
   12   2HB   LEU   2          1HB       LEU   2  -2.592 -10.018  -4.368
   13    HG   LEU   2           HG       LEU   2  -3.102 -12.225  -3.417
   14   1HD1  LEU   2          1HD1      LEU   2  -1.994 -10.131  -1.569
   15   2HD1  LEU   2          2HD1      LEU   2  -1.113 -11.231  -2.629
   16   3HD1  LEU   2          3HD1      LEU   2  -1.944 -11.855  -1.204
   17   1HD2  LEU   2          1HD2      LEU   2  -4.660 -10.635  -1.384
   18   2HD2  LEU   2          2HD2      LEU   2  -4.231 -12.337  -1.215
   19   3HD2  LEU   2          3HD2      LEU   2  -5.301 -11.823  -2.520
   20    HA   PRO   3           HA       PRO   3  -1.419  -6.384  -5.461
   21   1HB   PRO   3          2HB       PRO   3  -2.709  -5.818  -7.720
   22   2HB   PRO   3          1HB       PRO   3  -2.019  -7.423  -7.440
   23   1HG   PRO   3          2HG       PRO   3  -4.859  -6.513  -7.195
   24   2HG   PRO   3          1HG       PRO   3  -4.220  -8.014  -7.889
   25   1HD   PRO   3          2HD       PRO   3  -5.246  -7.775  -5.335
   26   2HD   PRO   3          1HD       PRO   3  -4.115  -9.040  -5.854
   27    H    LYS   4           H        LYS   4  -2.398  -5.074  -3.443
   28    HA   LYS   4           HA       LYS   4  -4.178  -2.937  -4.231
   29   1HB   LYS   4          2HB       LYS   4  -4.130  -2.249  -1.970
   30   2HB   LYS   4          1HB       LYS   4  -4.114  -4.007  -1.932
   31   1HG   LYS   4          2HG       LYS   4  -1.429  -3.234  -1.982
   32   2HG   LYS   4          1HG       LYS   4  -2.224  -2.140  -0.849
   33   1HD   LYS   4          2HD       LYS   4  -2.384  -3.748   0.677
   34   2HD   LYS   4          1HD       LYS   4  -3.158  -4.833  -0.478
   35   1HE   LYS   4          2HE       LYS   4  -0.947  -5.459  -1.348
   36   2HE   LYS   4          1HE       LYS   4  -0.189  -4.398  -0.164
   37   1HZ   LYS   4          1HZ       LYS   4  -1.873  -6.763   0.470
   38   2HZ   LYS   4          2HZ       LYS   4  -1.123  -5.754   1.601
   39   3HZ   LYS   4          3HZ       LYS   4  -0.184  -6.703   0.563
   40    H    LEU   5           H        LEU   5  -3.624  -0.952  -4.882
   41    HA   LEU   5           HA       LEU   5  -0.950   0.068  -4.404
   42   1HB   LEU   5          2HB       LEU   5  -1.102   0.765  -6.974
   43   2HB   LEU   5          1HB       LEU   5  -0.309  -0.697  -6.418
   44    HG   LEU   5           HG       LEU   5  -2.901  -1.543  -6.781
   45   1HD1  LEU   5          1HD1      LEU   5  -3.151   0.806  -7.893
   46   2HD1  LEU   5          2HD1      LEU   5  -3.847  -0.622  -8.662
   47   3HD1  LEU   5          3HD1      LEU   5  -2.316   0.034  -9.242
   48   1HD2  LEU   5          1HD2      LEU   5  -0.566  -2.435  -7.513
   49   2HD2  LEU   5          2HD2      LEU   5  -0.949  -1.635  -9.037
   50   3HD2  LEU   5          3HD2      LEU   5  -2.007  -2.902  -8.415
   51    HA   PRO   6           HA       PRO   6  -4.380   3.338  -4.923
   52   1HB   PRO   6          2HB       PRO   6  -5.673   3.437  -2.583
   53   2HB   PRO   6          1HB       PRO   6  -6.152   2.306  -3.854
   54   1HG   PRO   6          2HG       PRO   6  -4.577   1.806  -1.366
   55   2HG   PRO   6          1HG       PRO   6  -5.810   0.797  -2.141
   56   1HD   PRO   6          2HD       PRO   6  -3.079   0.424  -2.385
   57   2HD   PRO   6          1HD       PRO   6  -4.304  -0.185  -3.508
   58    H    ASP   7           H        ASP   7  -4.883   5.137  -2.955
   59    HA   ASP   7           HA       ASP   7  -2.853   5.657  -1.120
   60   1HB   ASP   7          2HB       ASP   7  -1.958   7.709  -2.610
   61   2HB   ASP   7          1HB       ASP   7  -1.172   6.134  -2.569
   62    H    ASP   8           H        ASP   8  -5.081   7.132  -3.430
   63    HA   ASP   8           HA       ASP   8  -6.061   8.853  -1.256
   64   1HB   ASP   8          2HB       ASP   8  -5.823   9.800  -4.113
   65   2HB   ASP   8          1HB       ASP   8  -6.219  10.757  -2.689
   66    H    LYS   9           H        LYS   9  -7.008   6.312  -2.446
   67    HA   LYS   9           HA       LYS   9  -9.643   7.242  -3.377
   68   1HB   LYS   9          2HB       LYS   9  -9.477   4.631  -4.222
   69   2HB   LYS   9          1HB       LYS   9  -9.203   6.050  -5.226
   70   1HG   LYS   9          2HG       LYS   9  -6.775   5.907  -4.504
   71   2HG   LYS   9          1HG       LYS   9  -7.169   4.307  -3.873
   72   1HD   LYS   9          2HD       LYS   9  -7.464   5.237  -6.728
   73   2HD   LYS   9          1HD       LYS   9  -6.252   4.115  -6.107
   74   1HE   LYS   9          2HE       LYS   9  -7.656   2.389  -6.228
   75   2HE   LYS   9          1HE       LYS   9  -8.946   3.288  -5.429
   76   1HZ   LYS   9          1HZ       LYS   9  -8.261   3.374  -8.317
   77   2HZ   LYS   9          2HZ       LYS   9  -9.433   4.346  -7.580
   78   3HZ   LYS   9          3HZ       LYS   9  -9.636   2.667  -7.627
   79    H    VAL  10           H        VAL  10  -8.108   4.373  -1.956
   80    HA   VAL  10           HA       VAL  10 -10.388   4.165  -0.096
   81    HB   VAL  10           HB       VAL  10  -8.852   1.965  -1.476
   82   1HG1  VAL  10          1HG1      VAL  10 -10.172   0.383  -0.119
   83   2HG1  VAL  10          2HG1      VAL  10 -10.768   1.739   0.840
   84   3HG1  VAL  10          3HG1      VAL  10  -9.050   1.341   0.848
   85   1HG2  VAL  10          1HG2      VAL  10 -11.757   1.820  -1.381
   86   2HG2  VAL  10          2HG2      VAL  10 -10.661   1.689  -2.756
   87   3HG2  VAL  10          3HG2      VAL  10 -11.167   3.277  -2.180
   88    H    LEU  11           H        LEU  11  -6.975   3.475  -0.621
   89    HA   LEU  11           HA       LEU  11  -5.311   2.903   0.878
   90   1HB   LEU  11          2HB       LEU  11  -4.745   4.859   2.254
   91   2HB   LEU  11          1HB       LEU  11  -5.133   5.282   0.597
   92    HG   LEU  11           HG       LEU  11  -7.520   5.456   2.156
   93   1HD1  LEU  11          1HD1      LEU  11  -7.020   6.708   3.971
   94   2HD1  LEU  11          2HD1      LEU  11  -5.602   7.437   3.217
   95   3HD1  LEU  11          3HD1      LEU  11  -5.509   5.804   3.879
   96   1HD2  LEU  11          1HD2      LEU  11  -5.990   7.816   1.162
   97   2HD2  LEU  11          2HD2      LEU  11  -7.724   7.498   1.116
   98   3HD2  LEU  11          3HD2      LEU  11  -6.644   6.653   0.007
   99    H    ILE  12           H        ILE  12  -7.218   1.254   1.737
  100    HA   ILE  12           HA       ILE  12  -8.031   1.754   4.434
  101    HB   ILE  12           HB       ILE  12  -8.327  -0.850   4.397
  102   1HG1  ILE  12          2HG1      ILE  12  -8.888  -0.718   1.553
  103   2HG1  ILE  12          1HG1      ILE  12  -7.179  -0.516   1.896
  104   1HG2  ILE  12          1HG2      ILE  12 -10.096   0.856   4.468
  105   2HG2  ILE  12          2HG2      ILE  12 -10.540  -0.581   3.545
  106   3HG2  ILE  12          3HG2      ILE  12 -10.079   0.900   2.705
  107   1HD1  ILE  12          1HD1      ILE  12  -6.912  -2.642   2.495
  108   2HD1  ILE  12          2HD1      ILE  12  -8.427  -2.895   1.626
  109   3HD1  ILE  12          3HD1      ILE  12  -8.439  -2.685   3.377
  110    H    ARG  13           H        ARG  13  -6.423   2.053   5.870
  111    HA   ARG  13           HA       ARG  13  -3.893   0.955   5.881
  112   1HB   ARG  13          2HB       ARG  13  -5.685   2.129   7.922
  113   2HB   ARG  13          1HB       ARG  13  -4.403   1.104   8.548
  114   1HG   ARG  13          2HG       ARG  13  -2.721   2.483   7.593
  115   2HG   ARG  13          1HG       ARG  13  -3.912   3.393   6.663
  116   1HD   ARG  13          2HD       ARG  13  -4.361   4.749   8.380
  117   2HD   ARG  13          1HD       ARG  13  -4.486   3.402   9.510
  118    HE   ARG  13           HE       ARG  13  -2.262   5.138   9.170
  119   1HH1  ARG  13          1HH1      ARG  13  -3.124   1.844   9.895
  120   2HH1  ARG  13          2HH1      ARG  13  -1.689   1.533  10.814
  121   1HH2  ARG  13          1HH2      ARG  13  -0.366   4.741  10.376
  122   2HH2  ARG  13          2HH2      ARG  13  -0.120   3.180  11.085
  123    H    SER  14           H        SER  14  -6.913  -0.480   6.604
  124    HA   SER  14           HA       SER  14  -6.782  -2.472   8.258
  125   1HB   SER  14          2HB       SER  14  -7.771  -2.382   5.484
  126   2HB   SER  14          1HB       SER  14  -7.588  -3.995   6.175
  127    HG   SER  14           HG       SER  14  -8.916  -1.926   7.564
  128    H    ARG  15           H        ARG  15  -5.825  -3.607   5.089
  129    HA   ARG  15           HA       ARG  15  -3.171  -4.255   5.677
  130   1HB   ARG  15          2HB       ARG  15  -3.175  -6.467   6.408
  131   2HB   ARG  15          1HB       ARG  15  -4.483  -5.747   7.338
  132   1HG   ARG  15          2HG       ARG  15  -5.621  -6.700   4.946
  133   2HG   ARG  15          1HG       ARG  15  -4.554  -7.968   5.551
  134   1HD   ARG  15          2HD       ARG  15  -5.735  -8.201   7.524
  135   2HD   ARG  15          1HD       ARG  15  -6.422  -6.581   7.423
  136    HE   ARG  15           HE       ARG  15  -7.348  -8.194   5.288
  137   1HH1  ARG  15          1HH1      ARG  15  -7.730  -7.674   8.708
  138   2HH1  ARG  15          2HH1      ARG  15  -9.360  -8.258   8.748
  139   1HH2  ARG  15          1HH2      ARG  15  -9.497  -8.961   5.326
  140   2HH2  ARG  15          2HH2      ARG  15 -10.367  -8.985   6.824
  141    H    SER  16           H        SER  16  -4.766  -3.334   3.553
  142    HA   SER  16           HA       SER  16  -3.680  -4.972   1.450
  143   1HB   SER  16          2HB       SER  16  -6.686  -4.689   1.499
  144   2HB   SER  16          1HB       SER  16  -5.710  -5.617   0.361
  145    HG   SER  16           HG       SER  16  -5.010  -6.758   2.414
  146    H    ASN  17           H        ASN  17  -3.188  -2.338   2.116
  147    HA   ASN  17           HA       ASN  17  -3.879  -1.072  -0.370
  148   1HB   ASN  17          2HB       ASN  17  -5.395  -0.530   2.000
  149   2HB   ASN  17          1HB       ASN  17  -4.537   0.917   1.494
  150   1HD2  ASN  17          1HD2      ASN  17  -5.742  -1.676  -0.555
  151   2HD2  ASN  17          2HD2      ASN  17  -6.878  -0.707  -1.425
  152    H    CYS  18           H        CYS  18  -2.997   1.199  -0.443
  153    HA   CYS  18           HA       CYS  18  -0.537   1.456   1.144
  154   1HB   CYS  18          2HB       CYS  18  -0.358   2.457  -1.614
  155   2HB   CYS  18          1HB       CYS  18   0.800   1.531  -0.685
  156    HA   PRO  19           HA       PRO  19  -2.559   5.363   1.945
  157   1HB   PRO  19          2HB       PRO  19  -0.395   6.469   3.251
  158   2HB   PRO  19          1HB       PRO  19  -1.608   5.434   4.013
  159   1HG   PRO  19          2HG       PRO  19   1.099   4.721   2.960
  160   2HG   PRO  19          1HG       PRO  19   0.300   4.189   4.452
  161   1HD   PRO  19          2HD       PRO  19   0.403   2.605   2.304
  162   2HD   PRO  19          1HD       PRO  19  -1.045   2.661   3.330
  163    H    LYS  20           H        LYS  20  -1.852   7.702   1.749
  164    HA   LYS  20           HA       LYS  20  -1.201   8.289  -0.896
  165   1HB   LYS  20          2HB       LYS  20  -0.906  10.636  -0.022
  166   2HB   LYS  20          1HB       LYS  20  -2.437   9.870   0.390
  167   1HG   LYS  20          2HG       LYS  20  -1.535   9.301   2.601
  168   2HG   LYS  20          1HG       LYS  20  -0.037  10.134   2.184
  169   1HD   LYS  20          2HD       LYS  20  -2.335  11.815   1.691
  170   2HD   LYS  20          1HD       LYS  20  -2.315  11.243   3.360
  171   1HE   LYS  20          2HE       LYS  20  -0.589  12.555   3.891
  172   2HE   LYS  20          1HE       LYS  20   0.310  12.087   2.447
  173   1HZ   LYS  20          1HZ       LYS  20  -1.878  13.768   1.778
  174   2HZ   LYS  20          2HZ       LYS  20  -0.229  13.986   1.469
  175   3HZ   LYS  20          3HZ       LYS  20  -0.892  14.515   2.933
  176    H    GLY  21           H        GLY  21   0.642   8.993  -1.907
  177   1HA   GLY  21          2HA       GLY  21   2.907   8.856  -2.363
  178   2HA   GLY  21          1HA       GLY  21   3.005   9.909  -0.958
  179    H    LYS  22           H        LYS  22   2.098   6.505  -1.187
  180    HA   LYS  22           HA       LYS  22   4.128   5.890   0.816
  181   1HB   LYS  22          2HB       LYS  22   2.791   4.202   1.562
  182   2HB   LYS  22          1HB       LYS  22   1.562   5.267   0.895
  183   1HG   LYS  22          2HG       LYS  22   2.651   2.722  -0.225
  184   2HG   LYS  22          1HG       LYS  22   0.986   3.159   0.141
  185   1HD   LYS  22          2HD       LYS  22   0.675   3.942  -1.930
  186   2HD   LYS  22          1HD       LYS  22   2.073   4.985  -1.786
  187   1HE   LYS  22          2HE       LYS  22   2.114   3.329  -3.683
  188   2HE   LYS  22          1HE       LYS  22   3.531   3.366  -2.646
  189   1HZ   LYS  22          1HZ       LYS  22   3.014   1.119  -3.016
  190   2HZ   LYS  22          2HZ       LYS  22   1.374   1.350  -2.696
  191   3HZ   LYS  22          3HZ       LYS  22   2.497   1.438  -1.440
  192    H    VAL  23           H        VAL  23   4.380   3.180   0.384
  193    HA   VAL  23           HA       VAL  23   5.162   2.613  -2.303
  194    HB   VAL  23           HB       VAL  23   7.569   2.102  -1.209
  195   1HG1  VAL  23          1HG1      VAL  23   8.386   3.751  -2.653
  196   2HG1  VAL  23          2HG1      VAL  23   6.982   4.790  -2.394
  197   3HG1  VAL  23          3HG1      VAL  23   6.824   3.316  -3.348
  198   1HG2  VAL  23          1HG2      VAL  23   6.717   4.743  -0.046
  199   2HG2  VAL  23          2HG2      VAL  23   8.323   4.020   0.057
  200   3HG2  VAL  23          3HG2      VAL  23   6.959   3.261   0.876
  201    H    TRP  24           H        TRP  24   5.119   0.446  -2.625
  202    HA   TRP  24           HA       TRP  24   4.525  -1.224  -0.366
  203   1HB   TRP  24          2HB       TRP  24   3.166  -1.642  -2.201
  204   2HB   TRP  24          1HB       TRP  24   4.506  -1.552  -3.307
  205    HD1  TRP  24           HD       TRP  24   5.727  -3.798  -3.911
  206    HE1  TRP  24           1HE      TRP  24   5.258  -6.265  -3.382
  207    HE3  TRP  24           3HE      TRP  24   2.366  -3.152  -0.169
  208    HZ2  TRP  24           2HZ      TRP  24   3.657  -7.745  -1.598
  209    HZ3  TRP  24           3HZ      TRP  24   1.429  -5.150   0.926
  210    HH2  TRP  24           HH       TRP  24   2.050  -7.392   0.224
  211    H    ASN  25           H        ASN  25   5.457  -3.428  -0.335
  212    HA   ASN  25           HA       ASN  25   8.255  -3.649  -1.087
  213   1HB   ASN  25          2HB       ASN  25   8.907  -2.822   0.927
  214   2HB   ASN  25          1HB       ASN  25   7.320  -3.054   1.645
  215   1HD2  ASN  25          1HD2      ASN  25  10.469  -3.977   1.766
  216   2HD2  ASN  25          2HD2      ASN  25  10.297  -5.490   2.579
  217    H    GLY  26           H        GLY  26   9.067  -5.890  -0.162
  218   1HA   GLY  26          2HA       GLY  26   8.056  -7.968  -1.399
  219   2HA   GLY  26          1HA       GLY  26   8.644  -8.157   0.241
  220    H    PHE  27           H        PHE  27   6.441  -6.659   1.488
  221    HA   PHE  27           HA       PHE  27   4.003  -7.902   0.715
  222   1HB   PHE  27          2HB       PHE  27   5.714  -9.347   2.485
  223   2HB   PHE  27          1HB       PHE  27   4.284  -8.834   3.375
  224    HD1  PHE  27           1HD      PHE  27   2.077  -9.055   1.698
  225    HD2  PHE  27           2HD      PHE  27   5.558 -11.501   1.729
  226    HE1  PHE  27           1HE      PHE  27   0.788 -10.894   0.696
  227    HE2  PHE  27           2HE      PHE  27   4.278 -13.346   0.727
  228    HZ   PHE  27           HZ       PHE  27   1.888 -13.044   0.209
  229    H    ASP  28           H        ASP  28   4.510  -5.230   1.008
  230    HA   ASP  28           HA       ASP  28   2.593  -4.496   3.016
  231   1HB   ASP  28          2HB       ASP  28   5.500  -4.075   3.552
  232   2HB   ASP  28          1HB       ASP  28   4.314  -2.925   4.161
  233    H    CYS  29           H        CYS  29   1.608  -2.669   2.408
  234    HA   CYS  29           HA       CYS  29   2.896  -1.053   0.322
  235   1HB   CYS  29          2HB       CYS  29   0.268  -2.116   0.665
  236   2HB   CYS  29          1HB       CYS  29   0.172  -0.359   0.685
  237    H    LYS  30           H        LYS  30   4.093   0.401   1.576
  238    HA   LYS  30           HA       LYS  30   2.574   2.503   2.791
  239   1HB   LYS  30          2HB       LYS  30   3.444   0.353   4.414
  240   2HB   LYS  30          1HB       LYS  30   4.407   1.759   4.836
  241   1HG   LYS  30          2HG       LYS  30   2.671   2.112   6.215
  242   2HG   LYS  30          1HG       LYS  30   2.063   2.943   4.788
  243   1HD   LYS  30          2HD       LYS  30   0.506   1.317   6.079
  244   2HD   LYS  30          1HD       LYS  30   0.520   1.288   4.320
  245   1HE   LYS  30          2HE       LYS  30   1.725  -0.709   4.243
  246   2HE   LYS  30          1HE       LYS  30   2.311  -0.527   5.895
  247   1HZ   LYS  30          1HZ       LYS  30   0.602  -1.710   6.619
  248   2HZ   LYS  30          2HZ       LYS  30   0.091  -1.954   5.026
  249   3HZ   LYS  30          3HZ       LYS  30  -0.503  -0.642   5.911
  250    H    SER  31           H        SER  31   3.724   4.388   3.178
  251    HA   SER  31           HA       SER  31   5.661   5.199   1.528
  252   1HB   SER  31          2HB       SER  31   6.403   6.603   3.766
  253   2HB   SER  31          1HB       SER  31   5.060   7.026   2.703
  254    HG   SER  31           HG       SER  31   4.343   6.922   4.834
  255    HA   PRO  32           HA       PRO  32   9.629   3.565   2.384
  256   1HB   PRO  32          2HB       PRO  32  10.851   6.231   2.432
  257   2HB   PRO  32          1HB       PRO  32  11.057   4.930   1.257
  258   1HG   PRO  32          2HG       PRO  32   9.719   7.193   0.667
  259   2HG   PRO  32          1HG       PRO  32   9.268   5.622  -0.021
  260   1HD   PRO  32          2HD       PRO  32   8.020   7.127   2.249
  261   2HD   PRO  32          1HD       PRO  32   7.238   6.223   0.936
  262    H    PHE  33           H        PHE  33   8.184   5.727   4.517
  263    HA   PHE  33           HA       PHE  33  10.199   6.079   6.455
  264   1HB   PHE  33          2HB       PHE  33   7.330   5.767   7.246
  265   2HB   PHE  33          1HB       PHE  33   8.522   6.935   7.811
  266    HD1  PHE  33           1HD      PHE  33   5.617   7.398   6.839
  267    HD2  PHE  33           2HD      PHE  33   9.419   7.710   4.952
  268    HE1  PHE  33           1HE      PHE  33   4.702   9.067   5.279
  269    HE2  PHE  33           2HE      PHE  33   8.513   9.379   3.389
  270    HZ   PHE  33           HZ       PHE  33   6.151  10.060   3.551
  271    H    ALA  34           H        ALA  34   8.227   3.458   5.512
  272    HA   ALA  34           HA       ALA  34   8.653   1.882   7.905
  273   1HB   ALA  34          1HB       ALA  34   7.176   0.336   6.969
  274   2HB   ALA  34          2HB       ALA  34   7.482   0.905   5.328
  275   3HB   ALA  34          3HB       ALA  34   6.550   1.900   6.447
  276    H    PHE  35           H        PHE  35   8.805  -0.543   6.249
  277    HA   PHE  35           HA       PHE  35  11.107  -1.642   6.469
  278   1HB   PHE  35          2HB       PHE  35  10.781  -1.886   3.653
  279   2HB   PHE  35          1HB       PHE  35  10.309  -3.027   4.907
  280    HD1  PHE  35           1HD      PHE  35   9.177  -0.675   2.442
  281    HD2  PHE  35           2HD      PHE  35   8.021  -2.806   5.940
  282    HE1  PHE  35           1HE      PHE  35   6.810  -0.285   1.895
  283    HE2  PHE  35           2HE      PHE  35   5.653  -2.423   5.397
  284    HZ   PHE  35           HZ       PHE  35   5.045  -1.160   3.373
  285    H    SER  36           H        SER  36  12.748  -0.066   6.856
  286    HA   SER  36           HA       SER  36  13.683   1.713   4.856
  287   1HB   SER  36          2HB       SER  36  14.102   1.983   7.309
  288   2HB   SER  36          1HB       SER  36  15.229   0.631   7.223
  289    HG   SER  36           HG       SER  36  15.618   3.218   6.573
  Start of MODEL   13
    1   1H    GLU   1          1HT       GLU   1  -3.877 -12.098  -6.805
    2   2H    GLU   1          2HT       GLU   1  -2.264 -11.633  -7.159
    3   3H    GLU   1          3HT       GLU   1  -3.554 -11.089  -8.152
    4    HA   GLU   1           HA       GLU   1  -4.467 -10.030  -6.088
    5   1HB   GLU   1          2HB       GLU   1  -2.642 -11.424  -4.796
    6   2HB   GLU   1          1HB       GLU   1  -1.610 -10.056  -5.193
    7   1HG   GLU   1          2HG       GLU   1  -4.217  -9.349  -4.050
    8   2HG   GLU   1          1HG       GLU   1  -3.143 -10.242  -2.973
    9    H    LEU   2           H        LEU   2  -4.799  -8.222  -7.216
   10    HA   LEU   2           HA       LEU   2  -2.876  -7.038  -8.931
   11   1HB   LEU   2          2HB       LEU   2  -5.607  -6.381  -7.984
   12   2HB   LEU   2          1HB       LEU   2  -4.643  -5.043  -8.581
   13    HG   LEU   2           HG       LEU   2  -4.798  -7.479 -10.278
   14   1HD1  LEU   2          1HD1      LEU   2  -6.949  -7.255 -10.941
   15   2HD1  LEU   2          2HD1      LEU   2  -6.981  -5.518 -10.631
   16   3HD1  LEU   2          3HD1      LEU   2  -7.143  -6.656  -9.294
   17   1HD2  LEU   2          1HD2      LEU   2  -3.843  -6.078 -11.707
   18   2HD2  LEU   2          2HD2      LEU   2  -3.926  -4.788 -10.507
   19   3HD2  LEU   2          3HD2      LEU   2  -5.260  -5.030 -11.635
   20    HA   PRO   3           HA       PRO   3  -0.479  -4.781  -5.966
   21   1HB   PRO   3          2HB       PRO   3   0.586  -2.949  -7.701
   22   2HB   PRO   3          1HB       PRO   3   1.178  -4.604  -7.534
   23   1HG   PRO   3          2HG       PRO   3  -0.663  -3.446  -9.587
   24   2HG   PRO   3          1HG       PRO   3   0.664  -4.603  -9.797
   25   1HD   PRO   3          2HD       PRO   3  -1.916  -5.379  -9.749
   26   2HD   PRO   3          1HD       PRO   3  -0.616  -6.392  -9.090
   27    H    LYS   4           H        LYS   4  -1.906  -3.709  -4.644
   28    HA   LYS   4           HA       LYS   4  -3.603  -1.614  -5.528
   29   1HB   LYS   4          2HB       LYS   4  -3.841  -1.171  -3.036
   30   2HB   LYS   4          1HB       LYS   4  -4.294  -2.777  -3.593
   31   1HG   LYS   4          2HG       LYS   4  -1.497  -2.551  -2.774
   32   2HG   LYS   4          1HG       LYS   4  -2.658  -2.239  -1.482
   33   1HD   LYS   4          2HD       LYS   4  -3.714  -4.368  -1.845
   34   2HD   LYS   4          1HD       LYS   4  -2.723  -4.664  -3.273
   35   1HE   LYS   4          2HE       LYS   4  -1.554  -4.261  -0.530
   36   2HE   LYS   4          1HE       LYS   4  -2.013  -5.847  -1.149
   37   1HZ   LYS   4          1HZ       LYS   4  -0.526  -5.267  -3.112
   38   2HZ   LYS   4          2HZ       LYS   4   0.238  -5.644  -1.650
   39   3HZ   LYS   4          3HZ       LYS   4   0.097  -4.031  -2.139
   40    H    LEU   5           H        LEU   5  -3.443   0.585  -5.308
   41    HA   LEU   5           HA       LEU   5  -1.084   1.795  -4.149
   42   1HB   LEU   5          2HB       LEU   5  -1.155   3.128  -6.547
   43   2HB   LEU   5          1HB       LEU   5   0.017   1.906  -6.092
   44    HG   LEU   5           HG       LEU   5  -1.684   0.222  -7.086
   45   1HD1  LEU   5          1HD1      LEU   5  -2.816   1.472  -9.096
   46   2HD1  LEU   5          2HD1      LEU   5  -2.757   2.846  -7.994
   47   3HD1  LEU   5          3HD1      LEU   5  -3.612   1.378  -7.525
   48   1HD2  LEU   5          1HD2      LEU   5   0.223   0.254  -8.303
   49   2HD2  LEU   5          2HD2      LEU   5   0.245   2.012  -8.431
   50   3HD2  LEU   5          3HD2      LEU   5  -0.818   1.066  -9.472
   51    HA   PRO   6           HA       PRO   6  -5.090   4.348  -4.366
   52   1HB   PRO   6          2HB       PRO   6  -6.422   3.635  -2.176
   53   2HB   PRO   6          1HB       PRO   6  -6.505   2.649  -3.641
   54   1HG   PRO   6          2HG       PRO   6  -4.807   2.245  -1.197
   55   2HG   PRO   6          1HG       PRO   6  -5.802   1.062  -2.066
   56   1HD   PRO   6          2HD       PRO   6  -3.112   1.319  -2.439
   57   2HD   PRO   6          1HD       PRO   6  -4.229   0.754  -3.697
   58    H    ASP   7           H        ASP   7  -5.815   6.024  -2.777
   59    HA   ASP   7           HA       ASP   7  -4.560   6.557  -0.358
   60   1HB   ASP   7          2HB       ASP   7  -3.035   8.434  -1.079
   61   2HB   ASP   7          1HB       ASP   7  -2.467   6.812  -1.462
   62    H    ASP   8           H        ASP   8  -6.128   7.697   0.550
   63    HA   ASP   8           HA       ASP   8  -6.856  10.275  -0.255
   64   1HB   ASP   8          2HB       ASP   8  -7.973   8.856  -2.077
   65   2HB   ASP   8          1HB       ASP   8  -9.078   8.317  -0.816
   66    H    LYS   9           H        LYS   9  -6.182   8.876   2.128
   67    HA   LYS   9           HA       LYS   9  -6.806   8.565   4.293
   68   1HB   LYS   9          2HB       LYS   9  -8.664  10.860   3.685
   69   2HB   LYS   9          1HB       LYS   9  -7.987  10.428   5.251
   70   1HG   LYS   9          2HG       LYS   9  -5.863  10.812   3.385
   71   2HG   LYS   9          1HG       LYS   9  -6.946  12.205   3.334
   72   1HD   LYS   9          2HD       LYS   9  -5.664  11.040   5.806
   73   2HD   LYS   9          1HD       LYS   9  -5.175  12.525   4.988
   74   1HE   LYS   9          2HE       LYS   9  -6.842  13.719   5.907
   75   2HE   LYS   9          1HE       LYS   9  -8.015  12.420   5.703
   76   1HZ   LYS   9          1HZ       LYS   9  -7.753  12.709   8.005
   77   2HZ   LYS   9          2HZ       LYS   9  -6.067  12.783   7.903
   78   3HZ   LYS   9          3HZ       LYS   9  -6.864  11.316   7.637
   79    H    VAL  10           H        VAL  10  -8.388   7.211   2.161
   80    HA   VAL  10           HA       VAL  10 -10.719   6.496   3.808
   81    HB   VAL  10           HB       VAL  10 -10.629   6.936   0.829
   82   1HG1  VAL  10          1HG1      VAL  10 -11.903   5.041   0.824
   83   2HG1  VAL  10          2HG1      VAL  10 -13.158   6.235   1.156
   84   3HG1  VAL  10          3HG1      VAL  10 -12.473   5.286   2.475
   85   1HG2  VAL  10          1HG2      VAL  10 -12.893   8.063   2.166
   86   2HG2  VAL  10          2HG2      VAL  10 -11.611   8.878   1.269
   87   3HG2  VAL  10          3HG2      VAL  10 -11.417   8.559   2.993
   88    H    LEU  11           H        LEU  11  -7.877   5.522   2.617
   89    HA   LEU  11           HA       LEU  11  -8.294   3.068   1.369
   90   1HB   LEU  11          2HB       LEU  11  -5.993   3.686   3.203
   91   2HB   LEU  11          1HB       LEU  11  -6.004   2.627   1.807
   92    HG   LEU  11           HG       LEU  11  -6.631   5.468   1.281
   93   1HD1  LEU  11          1HD1      LEU  11  -3.820   5.260   1.204
   94   2HD1  LEU  11          2HD1      LEU  11  -4.337   4.753   2.813
   95   3HD1  LEU  11          3HD1      LEU  11  -4.810   6.335   2.191
   96   1HD2  LEU  11          1HD2      LEU  11  -6.114   4.851  -0.782
   97   2HD2  LEU  11          2HD2      LEU  11  -6.009   3.198  -0.180
   98   3HD2  LEU  11          3HD2      LEU  11  -4.560   4.198  -0.270
   99    H    ILE  12           H        ILE  12  -7.044   1.105   2.653
  100    HA   ILE  12           HA       ILE  12  -8.380   0.746   5.232
  101    HB   ILE  12           HB       ILE  12  -8.487  -1.774   4.161
  102   1HG1  ILE  12          2HG1      ILE  12 -10.081  -0.713   2.081
  103   2HG1  ILE  12          1HG1      ILE  12  -8.498   0.041   1.935
  104   1HG2  ILE  12          1HG2      ILE  12 -10.614  -1.660   4.815
  105   2HG2  ILE  12          2HG2      ILE  12 -10.946  -0.224   3.848
  106   3HG2  ILE  12          3HG2      ILE  12 -10.154  -0.067   5.417
  107   1HD1  ILE  12          1HD1      ILE  12  -8.173  -1.828   0.685
  108   2HD1  ILE  12          2HD1      ILE  12  -9.274  -2.805   1.657
  109   3HD1  ILE  12          3HD1      ILE  12  -7.661  -2.426   2.262
  110    H    ARG  13           H        ARG  13  -6.732   0.448   6.595
  111    HA   ARG  13           HA       ARG  13  -4.184  -0.474   5.958
  112   1HB   ARG  13          2HB       ARG  13  -5.740  -0.036   8.400
  113   2HB   ARG  13          1HB       ARG  13  -4.570  -1.337   8.557
  114   1HG   ARG  13          2HG       ARG  13  -2.930   0.122   8.812
  115   2HG   ARG  13          1HG       ARG  13  -3.326   0.889   7.273
  116   1HD   ARG  13          2HD       ARG  13  -4.855   2.378   8.313
  117   2HD   ARG  13          1HD       ARG  13  -4.811   1.474   9.825
  118    HE   ARG  13           HE       ARG  13  -2.297   2.631   8.944
  119   1HH1  ARG  13          1HH1      ARG  13  -5.127   2.925  10.959
  120   2HH1  ARG  13          2HH1      ARG  13  -4.397   4.067  12.037
  121   1HH2  ARG  13          1HH2      ARG  13  -1.329   4.132  10.359
  122   2HH2  ARG  13          2HH2      ARG  13  -2.239   4.753  11.695
  123    H    SER  14           H        SER  14  -7.160  -2.103   6.290
  124    HA   SER  14           HA       SER  14  -7.124  -4.528   7.053
  125   1HB   SER  14          2HB       SER  14  -7.637  -3.797   4.178
  126   2HB   SER  14          1HB       SER  14  -8.059  -5.364   4.872
  127    HG   SER  14           HG       SER  14  -9.191  -3.947   6.520
  128    H    ARG  15           H        ARG  15  -5.998  -4.617   3.766
  129    HA   ARG  15           HA       ARG  15  -3.366  -5.432   4.213
  130   1HB   ARG  15          2HB       ARG  15  -3.630  -7.894   3.752
  131   2HB   ARG  15          1HB       ARG  15  -4.177  -7.372   5.340
  132   1HG   ARG  15          2HG       ARG  15  -6.450  -7.531   4.716
  133   2HG   ARG  15          1HG       ARG  15  -6.040  -7.705   3.008
  134   1HD   ARG  15          2HD       ARG  15  -5.383  -9.682   5.188
  135   2HD   ARG  15          1HD       ARG  15  -6.688  -9.845   4.014
  136    HE   ARG  15           HE       ARG  15  -4.070  -9.514   2.853
  137   1HH1  ARG  15          1HH1      ARG  15  -6.444 -11.767   4.039
  138   2HH1  ARG  15          2HH1      ARG  15  -5.813 -13.106   3.139
  139   1HH2  ARG  15          1HH2      ARG  15  -3.229 -11.269   1.664
  140   2HH2  ARG  15          2HH2      ARG  15  -3.983 -12.823   1.788
  141    H    SER  16           H        SER  16  -4.914  -3.901   2.433
  142    HA   SER  16           HA       SER  16  -3.712  -4.690  -0.025
  143   1HB   SER  16          2HB       SER  16  -6.510  -4.565  -0.708
  144   2HB   SER  16          1HB       SER  16  -5.340  -5.841  -1.049
  145    HG   SER  16           HG       SER  16  -5.829  -6.793   0.896
  146    H    ASN  17           H        ASN  17  -3.491  -2.391   1.404
  147    HA   ASN  17           HA       ASN  17  -4.382  -0.447  -0.520
  148   1HB   ASN  17          2HB       ASN  17  -5.840  -0.853   1.937
  149   2HB   ASN  17          1HB       ASN  17  -5.137   0.759   1.901
  150   1HD2  ASN  17          1HD2      ASN  17  -6.262  -1.200  -0.801
  151   2HD2  ASN  17          2HD2      ASN  17  -7.514  -0.119  -1.302
  152    H    CYS  18           H        CYS  18  -3.089   1.337  -0.569
  153    HA   CYS  18           HA       CYS  18  -0.906   1.416   1.409
  154   1HB   CYS  18          2HB       CYS  18  -0.382   2.786  -1.126
  155   2HB   CYS  18          1HB       CYS  18   0.606   1.626  -0.256
  156    HA   PRO  19           HA       PRO  19  -2.420   5.352   2.696
  157   1HB   PRO  19          2HB       PRO  19   0.060   6.434   3.384
  158   2HB   PRO  19          1HB       PRO  19  -0.982   5.483   4.444
  159   1HG   PRO  19          2HG       PRO  19   1.403   4.647   2.883
  160   2HG   PRO  19          1HG       PRO  19   0.842   4.088   4.465
  161   1HD   PRO  19          2HD       PRO  19   0.528   2.624   2.230
  162   2HD   PRO  19          1HD       PRO  19  -0.661   2.604   3.546
  163    H    LYS  20           H        LYS  20  -0.916   7.723   2.516
  164    HA   LYS  20           HA       LYS  20  -1.226   8.311  -0.306
  165   1HB   LYS  20          2HB       LYS  20  -0.760  10.648   0.433
  166   2HB   LYS  20          1HB       LYS  20  -2.111   9.900   1.281
  167   1HG   LYS  20          2HG       LYS  20  -0.851   9.577   3.230
  168   2HG   LYS  20          1HG       LYS  20   0.671   9.890   2.394
  169   1HD   LYS  20          2HD       LYS  20   0.262  12.194   2.268
  170   2HD   LYS  20          1HD       LYS  20  -1.461  11.996   2.595
  171   1HE   LYS  20          2HE       LYS  20   0.287  10.987   4.715
  172   2HE   LYS  20          1HE       LYS  20   0.420  12.724   4.437
  173   1HZ   LYS  20          1HZ       LYS  20  -1.947  12.941   4.744
  174   2HZ   LYS  20          2HZ       LYS  20  -1.277  12.165   6.090
  175   3HZ   LYS  20          3HZ       LYS  20  -2.121  11.269   4.930
  176    H    GLY  21           H        GLY  21   0.414   8.926  -1.697
  177   1HA   GLY  21          2HA       GLY  21   2.562   8.630  -2.561
  178   2HA   GLY  21          1HA       GLY  21   2.936   9.787  -1.287
  179    H    LYS  22           H        LYS  22   2.170   6.334  -1.514
  180    HA   LYS  22           HA       LYS  22   4.236   5.799   0.482
  181   1HB   LYS  22          2HB       LYS  22   2.914   3.479   0.343
  182   2HB   LYS  22          1HB       LYS  22   2.377   4.822   1.340
  183   1HG   LYS  22          2HG       LYS  22   0.552   3.847   0.053
  184   2HG   LYS  22          1HG       LYS  22   0.844   5.531  -0.379
  185   1HD   LYS  22          2HD       LYS  22   0.479   4.253  -2.390
  186   2HD   LYS  22          1HD       LYS  22   2.164   4.769  -2.329
  187   1HE   LYS  22          2HE       LYS  22   2.125   2.307  -1.035
  188   2HE   LYS  22          1HE       LYS  22   1.058   2.113  -2.421
  189   1HZ   LYS  22          1HZ       LYS  22   3.535   3.452  -3.010
  190   2HZ   LYS  22          2HZ       LYS  22   2.745   2.213  -3.843
  191   3HZ   LYS  22          3HZ       LYS  22   3.707   1.848  -2.504
  192    H    VAL  23           H        VAL  23   4.619   3.134   0.061
  193    HA   VAL  23           HA       VAL  23   5.390   2.539  -2.615
  194    HB   VAL  23           HB       VAL  23   7.806   2.131  -1.544
  195   1HG1  VAL  23          1HG1      VAL  23   8.316   3.371  -3.318
  196   2HG1  VAL  23          2HG1      VAL  23   7.729   4.825  -2.509
  197   3HG1  VAL  23          3HG1      VAL  23   6.615   3.821  -3.437
  198   1HG2  VAL  23          1HG2      VAL  23   7.453   4.861  -0.534
  199   2HG2  VAL  23          2HG2      VAL  23   8.425   3.534   0.101
  200   3HG2  VAL  23          3HG2      VAL  23   6.696   3.602   0.441
  201    H    TRP  24           H        TRP  24   4.855   0.408  -2.721
  202    HA   TRP  24           HA       TRP  24   4.552  -1.177  -0.424
  203   1HB   TRP  24          2HB       TRP  24   3.181  -1.796  -2.183
  204   2HB   TRP  24          1HB       TRP  24   4.480  -1.671  -3.340
  205    HD1  TRP  24           HD       TRP  24   5.934  -3.830  -3.796
  206    HE1  TRP  24           1HE      TRP  24   5.605  -6.306  -3.206
  207    HE3  TRP  24           3HE      TRP  24   2.371  -3.312  -0.219
  208    HZ2  TRP  24           2HZ      TRP  24   4.028  -7.840  -1.453
  209    HZ3  TRP  24           3HZ      TRP  24   1.520  -5.336   0.894
  210    HH2  TRP  24           HH       TRP  24   2.318  -7.548   0.286
  211    H    ASN  25           H        ASN  25   5.554  -3.301  -0.194
  212    HA   ASN  25           HA       ASN  25   8.378  -3.456  -0.933
  213   1HB   ASN  25          2HB       ASN  25   8.069  -2.230   1.310
  214   2HB   ASN  25          1HB       ASN  25   7.546  -3.783   1.950
  215   1HD2  ASN  25          1HD2      ASN  25   9.083  -4.795   2.991
  216   2HD2  ASN  25          2HD2      ASN  25  10.768  -4.772   2.611
  217    H    GLY  26           H        GLY  26   9.243  -5.629   0.183
  218   1HA   GLY  26          2HA       GLY  26   8.350  -7.791  -1.035
  219   2HA   GLY  26          1HA       GLY  26   8.903  -7.895   0.625
  220    H    PHE  27           H        PHE  27   6.591  -6.391   1.717
  221    HA   PHE  27           HA       PHE  27   4.253  -7.821   0.964
  222   1HB   PHE  27          2HB       PHE  27   4.248  -8.625   3.555
  223   2HB   PHE  27          1HB       PHE  27   4.722  -9.638   2.197
  224    HD1  PHE  27           1HD      PHE  27   6.498  -6.854   3.904
  225    HD2  PHE  27           2HD      PHE  27   6.438 -10.996   2.930
  226    HE1  PHE  27           1HE      PHE  27   8.735  -7.112   4.891
  227    HE2  PHE  27           2HE      PHE  27   8.678 -11.264   3.916
  228    HZ   PHE  27           HZ       PHE  27   9.828  -9.321   4.900
  229    H    ASP  28           H        ASP  28   4.613  -5.068   1.092
  230    HA   ASP  28           HA       ASP  28   2.528  -4.338   2.908
  231   1HB   ASP  28          2HB       ASP  28   5.347  -3.801   3.705
  232   2HB   ASP  28          1HB       ASP  28   4.097  -2.630   4.113
  233    H    CYS  29           H        CYS  29   1.493  -2.637   2.101
  234    HA   CYS  29           HA       CYS  29   2.841  -1.017   0.063
  235   1HB   CYS  29          2HB       CYS  29   0.380  -2.235   0.097
  236   2HB   CYS  29          1HB       CYS  29   0.000  -0.572   0.523
  237    H    LYS  30           H        LYS  30   3.964   0.515   1.308
  238    HA   LYS  30           HA       LYS  30   2.388   2.711   2.213
  239   1HB   LYS  30          2HB       LYS  30   4.036   2.136   4.504
  240   2HB   LYS  30          1HB       LYS  30   2.328   2.528   4.425
  241   1HG   LYS  30          2HG       LYS  30   3.018  -0.212   3.650
  242   2HG   LYS  30          1HG       LYS  30   3.332   0.210   5.330
  243   1HD   LYS  30          2HD       LYS  30   1.109   0.606   5.795
  244   2HD   LYS  30          1HD       LYS  30   0.708   0.953   4.114
  245   1HE   LYS  30          2HE       LYS  30   0.570  -1.283   3.547
  246   2HE   LYS  30          1HE       LYS  30   1.614  -1.789   4.874
  247   1HZ   LYS  30          1HZ       LYS  30  -0.128  -1.488   6.419
  248   2HZ   LYS  30          2HZ       LYS  30  -0.798  -2.347   5.125
  249   3HZ   LYS  30          3HZ       LYS  30  -1.109  -0.693   5.292
  250    H    SER  31           H        SER  31   3.738   4.444   3.171
  251    HA   SER  31           HA       SER  31   5.668   5.286   1.482
  252   1HB   SER  31          2HB       SER  31   6.564   6.390   3.840
  253   2HB   SER  31          1HB       SER  31   5.275   7.044   2.832
  254    HG   SER  31           HG       SER  31   5.107   6.106   5.309
  255    HA   PRO  32           HA       PRO  32   9.475   3.249   2.172
  256   1HB   PRO  32          2HB       PRO  32  11.318   5.211   2.100
  257   2HB   PRO  32          1HB       PRO  32  10.390   4.742   0.669
  258   1HG   PRO  32          2HG       PRO  32   9.959   7.041   2.540
  259   2HG   PRO  32          1HG       PRO  32   9.877   7.011   0.769
  260   1HD   PRO  32          2HD       PRO  32   7.672   6.914   2.364
  261   2HD   PRO  32          1HD       PRO  32   7.742   6.162   0.758
  262    H    PHE  33           H        PHE  33   8.282   5.297   4.513
  263    HA   PHE  33           HA       PHE  33  10.520   5.135   6.318
  264   1HB   PHE  33          2HB       PHE  33   7.913   5.769   7.483
  265   2HB   PHE  33          1HB       PHE  33   9.423   6.669   7.541
  266    HD1  PHE  33           1HD      PHE  33   6.216   7.130   6.787
  267    HD2  PHE  33           2HD      PHE  33   9.995   7.399   4.847
  268    HE1  PHE  33           1HE      PHE  33   5.284   8.773   5.210
  269    HE2  PHE  33           2HE      PHE  33   9.069   9.042   3.264
  270    HZ   PHE  33           HZ       PHE  33   6.711   9.731   3.446
  271    H    ALA  34           H        ALA  34   8.124   3.009   5.330
  272    HA   ALA  34           HA       ALA  34   8.174   1.582   7.901
  273   1HB   ALA  34          1HB       ALA  34   6.290   0.260   6.476
  274   2HB   ALA  34          2HB       ALA  34   6.138   1.885   5.807
  275   3HB   ALA  34          3HB       ALA  34   5.955   1.624   7.542
  276    H    PHE  35           H        PHE  35  10.370   1.517   6.093
  277    HA   PHE  35           HA       PHE  35  10.606  -1.366   5.828
  278   1HB   PHE  35          2HB       PHE  35  11.394   0.295   3.446
  279   2HB   PHE  35          1HB       PHE  35  11.183  -1.448   3.549
  280    HD1  PHE  35           1HD      PHE  35   8.682  -2.122   4.311
  281    HD2  PHE  35           2HD      PHE  35   9.811   1.443   2.288
  282    HE1  PHE  35           1HE      PHE  35   6.389  -1.891   3.452
  283    HE2  PHE  35           2HE      PHE  35   7.520   1.686   1.426
  284    HZ   PHE  35           HZ       PHE  35   5.804   0.018   2.009
  285    H    SER  36           H        SER  36  11.762   0.947   7.366
  286    HA   SER  36           HA       SER  36  14.427   0.015   7.484
  287   1HB   SER  36          2HB       SER  36  15.421   1.258   5.906
  288   2HB   SER  36          1HB       SER  36  13.912   2.105   5.562
  289    HG   SER  36           HG       SER  36  16.039   3.103   6.685
  Start of MODEL   14
    1   1H    GLU   1          1HT       GLU   1  -4.435 -11.986  -2.985
    2   2H    GLU   1          2HT       GLU   1  -4.154 -12.629  -1.419
    3   3H    GLU   1          3HT       GLU   1  -2.845 -12.022  -2.347
    4    HA   GLU   1           HA       GLU   1  -4.750 -10.666  -0.706
    5   1HB   GLU   1          2HB       GLU   1  -2.085  -9.830  -1.859
    6   2HB   GLU   1          1HB       GLU   1  -2.882  -9.167  -0.438
    7   1HG   GLU   1          2HG       GLU   1  -1.547 -11.827  -0.766
    8   2HG   GLU   1          1HG       GLU   1  -1.199 -10.551   0.398
    9    H    LEU   2           H        LEU   2  -5.737  -8.708  -1.151
   10    HA   LEU   2           HA       LEU   2  -6.607  -8.273  -3.790
   11   1HB   LEU   2          2HB       LEU   2  -7.145  -7.200  -1.195
   12   2HB   LEU   2          1HB       LEU   2  -6.917  -5.871  -2.315
   13    HG   LEU   2           HG       LEU   2  -8.692  -6.667  -3.732
   14   1HD1  LEU   2          1HD1      LEU   2  -8.083  -9.162  -2.658
   15   2HD1  LEU   2          2HD1      LEU   2  -9.356  -8.782  -3.819
   16   3HD1  LEU   2          3HD1      LEU   2  -9.715  -8.804  -2.091
   17   1HD2  LEU   2          1HD2      LEU   2  -9.928  -7.033  -1.058
   18   2HD2  LEU   2          2HD2      LEU   2 -10.436  -6.026  -2.413
   19   3HD2  LEU   2          3HD2      LEU   2  -9.098  -5.511  -1.385
   20    HA   PRO   3           HA       PRO   3  -3.545  -5.672  -5.569
   21   1HB   PRO   3          2HB       PRO   3  -5.552  -3.957  -6.802
   22   2HB   PRO   3          1HB       PRO   3  -4.505  -5.162  -7.555
   23   1HG   PRO   3          2HG       PRO   3  -7.187  -5.489  -7.318
   24   2HG   PRO   3          1HG       PRO   3  -6.046  -6.846  -7.309
   25   1HD   PRO   3          2HD       PRO   3  -7.404  -5.496  -5.003
   26   2HD   PRO   3          1HD       PRO   3  -7.123  -7.228  -5.287
   27    H    LYS   4           H        LYS   4  -3.217  -4.792  -3.257
   28    HA   LYS   4           HA       LYS   4  -4.308  -2.356  -2.427
   29   1HB   LYS   4          2HB       LYS   4  -1.753  -3.801  -1.807
   30   2HB   LYS   4          1HB       LYS   4  -2.052  -2.202  -1.142
   31   1HG   LYS   4          2HG       LYS   4  -2.941  -3.365   0.553
   32   2HG   LYS   4          1HG       LYS   4  -4.361  -3.426  -0.492
   33   1HD   LYS   4          2HD       LYS   4  -4.028  -5.642   0.210
   34   2HD   LYS   4          1HD       LYS   4  -3.371  -5.579  -1.425
   35   1HE   LYS   4          2HE       LYS   4  -1.535  -5.032   0.847
   36   2HE   LYS   4          1HE       LYS   4  -2.042  -6.698   0.573
   37   1HZ   LYS   4          1HZ       LYS   4  -0.129  -5.166  -0.842
   38   2HZ   LYS   4          2HZ       LYS   4  -1.339  -5.689  -1.902
   39   3HZ   LYS   4          3HZ       LYS   4  -0.481  -6.815  -0.975
   40    H    LEU   5           H        LEU   5  -4.317  -0.602  -3.742
   41    HA   LEU   5           HA       LEU   5  -1.799   0.673  -4.298
   42   1HB   LEU   5          2HB       LEU   5  -2.411   0.979  -6.757
   43   2HB   LEU   5          1HB       LEU   5  -1.744  -0.566  -6.268
   44    HG   LEU   5           HG       LEU   5  -4.415  -1.046  -6.023
   45   1HD1  LEU   5          1HD1      LEU   5  -5.542  -0.159  -7.959
   46   2HD1  LEU   5          2HD1      LEU   5  -4.087   0.708  -8.451
   47   3HD1  LEU   5          3HD1      LEU   5  -4.933   1.172  -6.975
   48   1HD2  LEU   5          1HD2      LEU   5  -4.117  -2.528  -7.762
   49   2HD2  LEU   5          2HD2      LEU   5  -2.450  -2.228  -7.272
   50   3HD2  LEU   5          3HD2      LEU   5  -3.114  -1.410  -8.685
   51    HA   PRO   6           HA       PRO   6  -5.394   3.638  -4.069
   52   1HB   PRO   6          2HB       PRO   6  -6.254   3.605  -1.552
   53   2HB   PRO   6          1HB       PRO   6  -6.709   2.310  -2.668
   54   1HG   PRO   6          2HG       PRO   6  -4.834   2.241  -0.388
   55   2HG   PRO   6          1HG       PRO   6  -5.708   0.912  -1.165
   56   1HD   PRO   6          2HD       PRO   6  -2.979   1.818  -1.628
   57   2HD   PRO   6          1HD       PRO   6  -3.797   0.377  -2.249
   58    H    ASP   7           H        ASP   7  -5.570   5.750  -2.883
   59    HA   ASP   7           HA       ASP   7  -3.786   6.600  -0.927
   60   1HB   ASP   7          2HB       ASP   7  -2.254   8.009  -2.389
   61   2HB   ASP   7          1HB       ASP   7  -1.944   6.275  -2.371
   62    H    ASP   8           H        ASP   8  -5.899   7.478  -0.462
   63    HA   ASP   8           HA       ASP   8  -6.170  10.175  -1.529
   64   1HB   ASP   8          2HB       ASP   8  -7.664   8.877  -2.957
   65   2HB   ASP   8          1HB       ASP   8  -8.444   8.176  -1.543
   66    H    LYS   9           H        LYS   9  -5.254   9.183   0.970
   67    HA   LYS   9           HA       LYS   9  -5.506   9.411   3.210
   68   1HB   LYS   9          2HB       LYS   9  -7.408  11.631   2.493
   69   2HB   LYS   9          1HB       LYS   9  -6.392  11.501   3.923
   70   1HG   LYS   9          2HG       LYS   9  -4.700  11.379   1.659
   71   2HG   LYS   9          1HG       LYS   9  -5.812  12.730   1.431
   72   1HD   LYS   9          2HD       LYS   9  -4.964  12.791   4.128
   73   2HD   LYS   9          1HD       LYS   9  -3.525  12.551   3.136
   74   1HE   LYS   9          2HE       LYS   9  -3.987  14.928   3.505
   75   2HE   LYS   9          1HE       LYS   9  -4.099  14.498   1.799
   76   1HZ   LYS   9          1HZ       LYS   9  -6.543  14.446   3.417
   77   2HZ   LYS   9          2HZ       LYS   9  -6.347  14.796   1.774
   78   3HZ   LYS   9          3HZ       LYS   9  -5.927  15.948   2.939
   79    H    VAL  10           H        VAL  10  -7.517   7.796   1.641
   80    HA   VAL  10           HA       VAL  10  -9.589   7.659   3.733
   81    HB   VAL  10           HB       VAL  10  -9.891   7.188   0.764
   82   1HG1  VAL  10          1HG1      VAL  10 -11.458   5.699   1.328
   83   2HG1  VAL  10          2HG1      VAL  10 -12.409   7.083   1.868
   84   3HG1  VAL  10          3HG1      VAL  10 -11.428   6.182   3.025
   85   1HG2  VAL  10          1HG2      VAL  10 -10.445   9.430   2.541
   86   2HG2  VAL  10          2HG2      VAL  10 -11.841   8.946   1.577
   87   3HG2  VAL  10          3HG2      VAL  10 -10.327   9.380   0.783
   88    H    LEU  11           H        LEU  11  -7.081   6.096   2.137
   89    HA   LEU  11           HA       LEU  11  -7.819   3.464   1.899
   90   1HB   LEU  11          2HB       LEU  11  -5.298   3.108   2.632
   91   2HB   LEU  11          1HB       LEU  11  -5.729   3.772   1.071
   92    HG   LEU  11           HG       LEU  11  -3.861   4.870   2.541
   93   1HD1  LEU  11          1HD1      LEU  11  -5.510   7.033   1.546
   94   2HD1  LEU  11          2HD1      LEU  11  -5.413   5.685   0.413
   95   3HD1  LEU  11          3HD1      LEU  11  -3.937   6.458   0.990
   96   1HD2  LEU  11          1HD2      LEU  11  -4.443   6.241   4.234
   97   2HD2  LEU  11          2HD2      LEU  11  -5.825   5.155   4.349
   98   3HD2  LEU  11          3HD2      LEU  11  -5.979   6.688   3.493
   99    H    ILE  12           H        ILE  12  -6.361   1.841   3.420
  100    HA   ILE  12           HA       ILE  12  -7.207   2.282   6.198
  101    HB   ILE  12           HB       ILE  12  -7.321  -0.458   5.893
  102   1HG1  ILE  12          2HG1      ILE  12  -9.296   0.127   3.886
  103   2HG1  ILE  12          1HG1      ILE  12  -7.706   0.588   3.299
  104   1HG2  ILE  12          1HG2      ILE  12  -9.240   1.726   6.301
  105   2HG2  ILE  12          2HG2      ILE  12  -8.909   0.294   7.277
  106   3HG2  ILE  12          3HG2      ILE  12  -9.920   0.166   5.838
  107   1HD1  ILE  12          1HD1      ILE  12  -7.315  -1.528   2.808
  108   2HD1  ILE  12          2HD1      ILE  12  -8.846  -2.012   3.537
  109   3HD1  ILE  12          3HD1      ILE  12  -7.391  -1.913   4.527
  110    H    ARG  13           H        ARG  13  -6.014   1.083   7.764
  111    HA   ARG  13           HA       ARG  13  -3.269   0.524   6.904
  112   1HB   ARG  13          2HB       ARG  13  -4.504   1.616   9.297
  113   2HB   ARG  13          1HB       ARG  13  -3.418   0.290   9.688
  114   1HG   ARG  13          2HG       ARG  13  -1.736   1.529   8.169
  115   2HG   ARG  13          1HG       ARG  13  -2.803   2.916   8.398
  116   1HD   ARG  13          2HD       ARG  13  -2.120   1.460  10.852
  117   2HD   ARG  13          1HD       ARG  13  -0.758   2.242  10.054
  118    HE   ARG  13           HE       ARG  13  -1.632   4.291  10.621
  119   1HH1  ARG  13          1HH1      ARG  13  -4.013   1.811  11.170
  120   2HH1  ARG  13          2HH1      ARG  13  -5.105   2.864  12.008
  121   1HH2  ARG  13          1HH2      ARG  13  -3.062   5.685  11.723
  122   2HH2  ARG  13          2HH2      ARG  13  -4.564   5.065  12.321
  123    H    SER  14           H        SER  14  -6.159  -0.956   7.866
  124    HA   SER  14           HA       SER  14  -5.894  -3.151   9.214
  125   1HB   SER  14          2HB       SER  14  -7.218  -2.665   6.634
  126   2HB   SER  14          1HB       SER  14  -6.976  -4.364   7.042
  127    HG   SER  14           HG       SER  14  -7.846  -3.172   9.221
  128    H    ARG  15           H        ARG  15  -5.379  -3.889   5.844
  129    HA   ARG  15           HA       ARG  15  -2.691  -4.646   5.972
  130   1HB   ARG  15          2HB       ARG  15  -2.741  -7.003   6.278
  131   2HB   ARG  15          1HB       ARG  15  -3.685  -6.324   7.598
  132   1HG   ARG  15          2HG       ARG  15  -5.720  -6.744   6.104
  133   2HG   ARG  15          1HG       ARG  15  -4.643  -7.771   5.157
  134   1HD   ARG  15          2HD       ARG  15  -4.115  -9.017   7.256
  135   2HD   ARG  15          1HD       ARG  15  -5.360  -8.069   8.069
  136    HE   ARG  15           HE       ARG  15  -6.634  -9.136   5.911
  137   1HH1  ARG  15          1HH1      ARG  15  -4.796 -10.441   8.566
  138   2HH1  ARG  15          2HH1      ARG  15  -5.650 -11.948   8.586
  139   1HH2  ARG  15          1HH2      ARG  15  -7.767 -11.115   5.931
  140   2HH2  ARG  15          2HH2      ARG  15  -7.339 -12.332   7.086
  141    H    SER  16           H        SER  16  -4.545  -3.418   4.248
  142    HA   SER  16           HA       SER  16  -3.807  -4.686   1.790
  143   1HB   SER  16          2HB       SER  16  -6.773  -4.485   2.059
  144   2HB   SER  16          1HB       SER  16  -5.806  -5.536   1.023
  145    HG   SER  16           HG       SER  16  -5.942  -6.999   2.511
  146    H    ASN  17           H        ASN  17  -3.207  -2.182   2.634
  147    HA   ASN  17           HA       ASN  17  -4.325  -0.603   0.549
  148   1HB   ASN  17          2HB       ASN  17  -5.622  -0.534   3.086
  149   2HB   ASN  17          1HB       ASN  17  -4.825   1.012   2.822
  150   1HD2  ASN  17          1HD2      ASN  17  -6.581  -1.329   0.809
  151   2HD2  ASN  17          2HD2      ASN  17  -7.644  -0.172   0.091
  152    H    CYS  18           H        CYS  18  -3.089   1.150   0.058
  153    HA   CYS  18           HA       CYS  18  -0.679   1.540   1.697
  154   1HB   CYS  18          2HB       CYS  18  -0.518   2.608  -1.008
  155   2HB   CYS  18          1HB       CYS  18   0.583   1.543  -0.160
  156    HA   PRO  19           HA       PRO  19  -2.187   5.618   2.575
  157   1HB   PRO  19          2HB       PRO  19   0.653   6.301   3.011
  158   2HB   PRO  19          1HB       PRO  19  -0.709   6.384   4.133
  159   1HG   PRO  19          2HG       PRO  19   1.178   4.504   4.379
  160   2HG   PRO  19          1HG       PRO  19  -0.525   4.155   4.729
  161   1HD   PRO  19          2HD       PRO  19   1.084   3.489   2.289
  162   2HD   PRO  19          1HD       PRO  19  -0.102   2.496   3.162
  163    H    LYS  20           H        LYS  20  -0.828   7.948   2.196
  164    HA   LYS  20           HA       LYS  20  -1.040   8.286  -0.654
  165   1HB   LYS  20          2HB       LYS  20  -0.556  10.671  -0.132
  166   2HB   LYS  20          1HB       LYS  20  -1.908  10.018   0.785
  167   1HG   LYS  20          2HG       LYS  20  -0.605   9.840   2.751
  168   2HG   LYS  20          1HG       LYS  20   0.886  10.169   1.869
  169   1HD   LYS  20          2HD       LYS  20  -0.560  12.380   1.268
  170   2HD   LYS  20          1HD       LYS  20  -1.162  12.021   2.887
  171   1HE   LYS  20          2HE       LYS  20   1.619  11.698   3.008
  172   2HE   LYS  20          1HE       LYS  20   1.347  13.174   2.083
  173   1HZ   LYS  20          1HZ       LYS  20   0.977  12.685   4.877
  174   2HZ   LYS  20          2HZ       LYS  20  -0.397  13.366   4.167
  175   3HZ   LYS  20          3HZ       LYS  20   1.094  14.154   4.048
  176    H    GLY  21           H        GLY  21   0.581   8.866  -2.083
  177   1HA   GLY  21          2HA       GLY  21   2.696   8.510  -2.973
  178   2HA   GLY  21          1HA       GLY  21   3.123   9.680  -1.731
  179    H    LYS  22           H        LYS  22   1.911   6.480  -1.025
  180    HA   LYS  22           HA       LYS  22   4.232   5.894   0.556
  181   1HB   LYS  22          2HB       LYS  22   2.981   4.217   1.481
  182   2HB   LYS  22          1HB       LYS  22   1.707   5.291   0.933
  183   1HG   LYS  22          2HG       LYS  22   2.572   2.662  -0.170
  184   2HG   LYS  22          1HG       LYS  22   0.973   3.241   0.278
  185   1HD   LYS  22          2HD       LYS  22   0.567   3.866  -1.822
  186   2HD   LYS  22          1HD       LYS  22   1.994   4.887  -1.819
  187   1HE   LYS  22          2HE       LYS  22   1.796   3.014  -3.580
  188   2HE   LYS  22          1HE       LYS  22   3.333   3.262  -2.763
  189   1HZ   LYS  22          1HZ       LYS  22   2.515   0.900  -2.975
  190   2HZ   LYS  22          2HZ       LYS  22   1.354   1.288  -1.816
  191   3HZ   LYS  22          3HZ       LYS  22   2.995   1.384  -1.428
  192    H    VAL  23           H        VAL  23   4.461   3.158   0.238
  193    HA   VAL  23           HA       VAL  23   4.995   2.505  -2.493
  194    HB   VAL  23           HB       VAL  23   7.481   2.072  -1.729
  195   1HG1  VAL  23          1HG1      VAL  23   7.153   4.867  -2.487
  196   2HG1  VAL  23          2HG1      VAL  23   6.191   3.753  -3.457
  197   3HG1  VAL  23          3HG1      VAL  23   7.940   3.547  -3.353
  198   1HG2  VAL  23          1HG2      VAL  23   6.589   3.467   0.447
  199   2HG2  VAL  23          2HG2      VAL  23   7.375   4.717  -0.517
  200   3HG2  VAL  23          3HG2      VAL  23   8.277   3.283  -0.029
  201    H    TRP  24           H        TRP  24   4.706   0.362  -2.689
  202    HA   TRP  24           HA       TRP  24   4.410  -1.282  -0.410
  203   1HB   TRP  24          2HB       TRP  24   3.113  -1.928  -2.213
  204   2HB   TRP  24          1HB       TRP  24   4.431  -1.702  -3.333
  205    HD1  TRP  24           HD       TRP  24   6.047  -3.761  -3.773
  206    HE1  TRP  24           1HE      TRP  24   5.812  -6.266  -3.263
  207    HE3  TRP  24           3HE      TRP  24   2.322  -3.496  -0.343
  208    HZ2  TRP  24           2HZ      TRP  24   4.222  -7.920  -1.607
  209    HZ3  TRP  24           3HZ      TRP  24   1.494  -5.579   0.670
  210    HH2  TRP  24           HH       TRP  24   2.421  -7.740   0.053
  211    H    ASN  25           H        ASN  25   5.591  -3.341  -0.178
  212    HA   ASN  25           HA       ASN  25   8.330  -3.416  -1.068
  213   1HB   ASN  25          2HB       ASN  25   8.447  -1.710   0.678
  214   2HB   ASN  25          1HB       ASN  25   7.727  -2.831   1.830
  215   1HD2  ASN  25          1HD2      ASN  25   9.032  -4.081   2.979
  216   2HD2  ASN  25          2HD2      ASN  25  10.719  -4.312   2.685
  217    H    GLY  26           H        GLY  26   8.352  -5.502  -1.595
  218   1HA   GLY  26          2HA       GLY  26   8.335  -7.775  -1.445
  219   2HA   GLY  26          1HA       GLY  26   8.763  -7.512   0.232
  220    H    PHE  27           H        PHE  27   6.521  -6.579   1.387
  221    HA   PHE  27           HA       PHE  27   4.249  -8.141   0.618
  222   1HB   PHE  27          2HB       PHE  27   6.140  -9.110   2.606
  223   2HB   PHE  27          1HB       PHE  27   4.494  -9.005   3.226
  224    HD1  PHE  27           1HD      PHE  27   6.768 -10.759   1.036
  225    HD2  PHE  27           2HD      PHE  27   2.680 -10.275   2.114
  226    HE1  PHE  27           1HE      PHE  27   6.225 -12.880  -0.088
  227    HE2  PHE  27           2HE      PHE  27   2.129 -12.393   0.994
  228    HZ   PHE  27           HZ       PHE  27   3.902 -13.700  -0.109
  229    H    ASP  28           H        ASP  28   4.702  -5.348   0.984
  230    HA   ASP  28           HA       ASP  28   2.501  -4.790   2.761
  231   1HB   ASP  28          2HB       ASP  28   5.275  -3.978   3.555
  232   2HB   ASP  28          1HB       ASP  28   3.836  -3.166   4.164
  233    H    CYS  29           H        CYS  29   1.624  -2.751   2.507
  234    HA   CYS  29           HA       CYS  29   2.763  -1.162   0.301
  235   1HB   CYS  29          2HB       CYS  29   0.199  -2.263   0.678
  236   2HB   CYS  29          1HB       CYS  29   0.027  -0.536   0.957
  237    H    LYS  30           H        LYS  30   4.009   0.355   1.449
  238    HA   LYS  30           HA       LYS  30   2.540   2.388   2.822
  239   1HB   LYS  30          2HB       LYS  30   3.537   0.230   4.339
  240   2HB   LYS  30          1HB       LYS  30   4.546   1.621   4.703
  241   1HG   LYS  30          2HG       LYS  30   2.941   1.989   6.221
  242   2HG   LYS  30          1HG       LYS  30   2.196   2.808   4.853
  243   1HD   LYS  30          2HD       LYS  30   0.769   1.185   6.271
  244   2HD   LYS  30          1HD       LYS  30   0.650   1.114   4.516
  245   1HE   LYS  30          2HE       LYS  30   1.660  -0.923   4.397
  246   2HE   LYS  30          1HE       LYS  30   2.683  -0.617   5.800
  247   1HZ   LYS  30          1HZ       LYS  30  -0.115  -1.543   5.723
  248   2HZ   LYS  30          2HZ       LYS  30   0.498  -0.785   7.104
  249   3HZ   LYS  30          3HZ       LYS  30   1.205  -2.215   6.541
  250    H    SER  31           H        SER  31   3.793   4.254   3.396
  251    HA   SER  31           HA       SER  31   5.617   5.113   1.569
  252   1HB   SER  31          2HB       SER  31   4.702   6.016   4.138
  253   2HB   SER  31          1HB       SER  31   6.442   6.278   4.020
  254    HG   SER  31           HG       SER  31   6.138   7.554   2.261
  255    HA   PRO  32           HA       PRO  32   9.506   3.234   2.314
  256   1HB   PRO  32          2HB       PRO  32  10.978   5.753   2.374
  257   2HB   PRO  32          1HB       PRO  32  10.963   4.506   1.126
  258   1HG   PRO  32          2HG       PRO  32   9.839   6.950   0.776
  259   2HG   PRO  32          1HG       PRO  32   9.231   5.486  -0.019
  260   1HD   PRO  32          2HD       PRO  32   8.181   6.911   2.396
  261   2HD   PRO  32          1HD       PRO  32   7.291   6.159   1.055
  262    H    PHE  33           H        PHE  33   8.474   5.644   4.506
  263    HA   PHE  33           HA       PHE  33  10.623   5.461   6.354
  264   1HB   PHE  33          2HB       PHE  33   7.875   6.111   7.282
  265   2HB   PHE  33          1HB       PHE  33   9.405   6.889   7.668
  266    HD1  PHE  33           1HD      PHE  33  10.487   7.634   5.106
  267    HD2  PHE  33           2HD      PHE  33   6.448   7.705   6.447
  268    HE1  PHE  33           1HE      PHE  33   9.983   9.415   3.484
  269    HE2  PHE  33           2HE      PHE  33   5.939   9.485   4.828
  270    HZ   PHE  33           HZ       PHE  33   7.705  10.343   3.344
  271    H    ALA  34           H        ALA  34   7.977   3.431   5.596
  272    HA   ALA  34           HA       ALA  34   8.254   1.972   8.132
  273   1HB   ALA  34          1HB       ALA  34   6.075   1.381   8.001
  274   2HB   ALA  34          2HB       ALA  34   6.114   1.216   6.246
  275   3HB   ALA  34          3HB       ALA  34   5.980   2.815   6.979
  276    H    PHE  35           H        PHE  35  10.330   1.659   6.364
  277    HA   PHE  35           HA       PHE  35  10.312  -1.168   5.969
  278   1HB   PHE  35          2HB       PHE  35  10.256   0.628   3.540
  279   2HB   PHE  35          1HB       PHE  35  10.808  -1.042   3.493
  280    HD1  PHE  35           1HD      PHE  35   8.996  -2.609   4.909
  281    HD2  PHE  35           2HD      PHE  35   8.174   0.903   2.649
  282    HE1  PHE  35           1HE      PHE  35   6.677  -3.360   4.595
  283    HE2  PHE  35           2HE      PHE  35   5.851   0.157   2.331
  284    HZ   PHE  35           HZ       PHE  35   5.099  -1.976   3.304
  285    H    SER  36           H        SER  36  11.885   0.714   7.417
  286    HA   SER  36           HA       SER  36  14.044   1.308   7.840
  287   1HB   SER  36          2HB       SER  36  14.423  -1.046   8.025
  288   2HB   SER  36          1HB       SER  36  14.438  -1.248   6.275
  289    HG   SER  36           HG       SER  36  16.531  -1.134   6.664
  Start of MODEL   15
    1   1H    GLU   1          1HT       GLU   1  -5.410 -11.702  -8.843
    2   2H    GLU   1          2HT       GLU   1  -6.736 -10.912  -9.591
    3   3H    GLU   1          3HT       GLU   1  -6.990 -11.893  -8.206
    4    HA   GLU   1           HA       GLU   1  -6.950  -9.387  -7.955
    5   1HB   GLU   1          2HB       GLU   1  -7.110 -10.723  -6.035
    6   2HB   GLU   1          1HB       GLU   1  -5.539 -11.466  -6.308
    7   1HG   GLU   1          2HG       GLU   1  -5.409  -8.582  -5.893
    8   2HG   GLU   1          1HG       GLU   1  -6.077  -9.470  -4.523
    9    H    LEU   2           H        LEU   2  -5.746  -7.580  -8.112
   10    HA   LEU   2           HA       LEU   2  -2.908  -7.909  -8.828
   11   1HB   LEU   2          2HB       LEU   2  -3.168  -5.672  -9.945
   12   2HB   LEU   2          1HB       LEU   2  -4.048  -6.993 -10.688
   13    HG   LEU   2           HG       LEU   2  -5.597  -5.458  -8.717
   14   1HD1  LEU   2          1HD1      LEU   2  -5.299  -4.093 -11.328
   15   2HD1  LEU   2          2HD1      LEU   2  -4.019  -3.858 -10.138
   16   3HD1  LEU   2          3HD1      LEU   2  -5.684  -3.435  -9.738
   17   1HD2  LEU   2          1HD2      LEU   2  -5.963  -6.886 -11.264
   18   2HD2  LEU   2          2HD2      LEU   2  -7.004  -5.481 -11.022
   19   3HD2  LEU   2          3HD2      LEU   2  -7.010  -6.797  -9.848
   20    HA   PRO   3           HA       PRO   3  -1.470  -5.683  -5.333
   21   1HB   PRO   3          2HB       PRO   3   0.210  -3.847  -6.594
   22   2HB   PRO   3          1HB       PRO   3   0.655  -5.483  -6.100
   23   1HG   PRO   3          2HG       PRO   3  -0.161  -4.467  -8.783
   24   2HG   PRO   3          1HG       PRO   3   1.043  -5.701  -8.364
   25   1HD   PRO   3          2HD       PRO   3  -1.366  -6.369  -9.329
   26   2HD   PRO   3          1HD       PRO   3  -0.562  -7.352  -8.086
   27    H    LYS   4           H        LYS   4  -2.279  -4.066  -4.140
   28    HA   LYS   4           HA       LYS   4  -4.237  -2.329  -5.102
   29   1HB   LYS   4          2HB       LYS   4  -2.587  -2.406  -2.598
   30   2HB   LYS   4          1HB       LYS   4  -3.700  -1.077  -2.889
   31   1HG   LYS   4          2HG       LYS   4  -4.799  -2.698  -1.542
   32   2HG   LYS   4          1HG       LYS   4  -5.526  -2.737  -3.147
   33   1HD   LYS   4          2HD       LYS   4  -5.235  -4.995  -2.478
   34   2HD   LYS   4          1HD       LYS   4  -3.982  -4.659  -3.674
   35   1HE   LYS   4          2HE       LYS   4  -2.783  -3.975  -1.287
   36   2HE   LYS   4          1HE       LYS   4  -3.742  -5.392  -0.866
   37   1HZ   LYS   4          1HZ       LYS   4  -1.286  -5.342  -2.139
   38   2HZ   LYS   4          2HZ       LYS   4  -2.402  -5.822  -3.316
   39   3HZ   LYS   4          3HZ       LYS   4  -2.276  -6.689  -1.869
   40    H    LEU   5           H        LEU   5  -4.184   0.074  -4.950
   41    HA   LEU   5           HA       LEU   5  -1.701   1.446  -5.239
   42   1HB   LEU   5          2HB       LEU   5  -2.611   2.270  -7.625
   43   2HB   LEU   5          1HB       LEU   5  -1.454   0.966  -7.429
   44    HG   LEU   5           HG       LEU   5  -3.314  -0.667  -7.550
   45   1HD1  LEU   5          1HD1      LEU   5  -5.077   1.556  -8.501
   46   2HD1  LEU   5          2HD1      LEU   5  -5.008   1.124  -6.793
   47   3HD1  LEU   5          3HD1      LEU   5  -5.514  -0.073  -7.985
   48   1HD2  LEU   5          1HD2      LEU   5  -2.621  -0.720  -9.662
   49   2HD2  LEU   5          2HD2      LEU   5  -2.323   1.019  -9.675
   50   3HD2  LEU   5          3HD2      LEU   5  -3.932   0.397 -10.043
   51    HA   PRO   6           HA       PRO   6  -5.358   4.201  -4.363
   52   1HB   PRO   6          2HB       PRO   6  -6.042   3.641  -1.832
   53   2HB   PRO   6          1HB       PRO   6  -6.600   2.635  -3.174
   54   1HG   PRO   6          2HG       PRO   6  -4.652   2.008  -1.074
   55   2HG   PRO   6          1HG       PRO   6  -5.499   0.914  -2.178
   56   1HD   PRO   6          2HD       PRO   6  -2.811   2.058  -2.407
   57   2HD   PRO   6          1HD       PRO   6  -3.539   0.719  -3.305
   58    H    ASP   7           H        ASP   7  -5.646   5.690  -2.199
   59    HA   ASP   7           HA       ASP   7  -3.456   6.230  -0.581
   60   1HB   ASP   7          2HB       ASP   7  -2.948   8.514  -1.918
   61   2HB   ASP   7          1HB       ASP   7  -2.012   7.037  -2.127
   62    H    ASP   8           H        ASP   8  -6.121   7.658  -2.399
   63    HA   ASP   8           HA       ASP   8  -6.939   9.034   0.062
   64   1HB   ASP   8          2HB       ASP   8  -7.145  10.314  -2.665
   65   2HB   ASP   8          1HB       ASP   8  -7.475  11.057  -1.104
   66    H    LYS   9           H        LYS   9  -8.013   6.663  -0.538
   67    HA   LYS   9           HA       LYS   9 -10.748   7.381  -1.282
   68   1HB   LYS   9          2HB       LYS   9 -10.176   4.724  -2.232
   69   2HB   LYS   9          1HB       LYS   9 -10.837   6.096  -3.109
   70   1HG   LYS   9          2HG       LYS   9  -7.906   6.010  -2.604
   71   2HG   LYS   9          1HG       LYS   9  -8.590   4.958  -3.842
   72   1HD   LYS   9          2HD       LYS   9  -9.719   7.552  -4.145
   73   2HD   LYS   9          1HD       LYS   9  -7.966   7.719  -4.022
   74   1HE   LYS   9          2HE       LYS   9  -8.955   5.546  -5.759
   75   2HE   LYS   9          1HE       LYS   9  -9.260   7.188  -6.322
   76   1HZ   LYS   9          1HZ       LYS   9  -6.580   6.255  -5.470
   77   2HZ   LYS   9          2HZ       LYS   9  -6.965   7.666  -6.321
   78   3HZ   LYS   9          3HZ       LYS   9  -7.118   6.157  -7.071
   79    H    VAL  10           H        VAL  10  -8.922   4.455  -0.451
   80    HA   VAL  10           HA       VAL  10 -10.732   4.059   1.844
   81    HB   VAL  10           HB       VAL  10  -9.593   2.023  -0.066
   82   1HG1  VAL  10          1HG1      VAL  10 -11.104   0.667   1.850
   83   2HG1  VAL  10          2HG1      VAL  10 -10.034   1.728   2.766
   84   3HG1  VAL  10          3HG1      VAL  10  -9.360   0.582   1.608
   85   1HG2  VAL  10          1HG2      VAL  10 -12.274   3.077   0.606
   86   2HG2  VAL  10          2HG2      VAL  10 -12.159   1.349   0.269
   87   3HG2  VAL  10          3HG2      VAL  10 -11.626   2.520  -0.937
   88    H    LEU  11           H        LEU  11  -7.512   3.682   0.517
   89    HA   LEU  11           HA       LEU  11  -5.528   3.034   1.523
   90   1HB   LEU  11          2HB       LEU  11  -4.922   4.814   3.244
   91   2HB   LEU  11          1HB       LEU  11  -5.323   5.349   1.623
   92    HG   LEU  11           HG       LEU  11  -7.606   5.286   3.472
   93   1HD1  LEU  11          1HD1      LEU  11  -5.181   6.954   4.013
   94   2HD1  LEU  11          2HD1      LEU  11  -6.193   6.057   5.145
   95   3HD1  LEU  11          3HD1      LEU  11  -6.793   7.546   4.414
   96   1HD2  LEU  11          1HD2      LEU  11  -8.321   6.548   1.790
   97   2HD2  LEU  11          2HD2      LEU  11  -6.695   6.674   1.119
   98   3HD2  LEU  11          3HD2      LEU  11  -7.232   7.815   2.353
   99    H    ILE  12           H        ILE  12  -7.263   1.195   2.492
  100    HA   ILE  12           HA       ILE  12  -7.456   1.196   5.328
  101    HB   ILE  12           HB       ILE  12  -7.639  -1.399   4.925
  102   1HG1  ILE  12          2HG1      ILE  12  -8.930  -1.031   2.412
  103   2HG1  ILE  12          1HG1      ILE  12  -7.270  -0.487   2.266
  104   1HG2  ILE  12          1HG2      ILE  12 -10.074  -0.539   3.889
  105   2HG2  ILE  12          2HG2      ILE  12  -9.480   0.784   4.893
  106   3HG2  ILE  12          3HG2      ILE  12  -9.659  -0.833   5.577
  107   1HD1  ILE  12          1HD1      ILE  12  -6.439  -2.554   2.422
  108   2HD1  ILE  12          2HD1      ILE  12  -8.071  -3.034   1.954
  109   3HD1  ILE  12          3HD1      ILE  12  -7.603  -3.036   3.655
  110    H    ARG  13           H        ARG  13  -5.484   1.549   6.286
  111    HA   ARG  13           HA       ARG  13  -3.023   0.517   5.636
  112   1HB   ARG  13          2HB       ARG  13  -4.274   1.588   8.051
  113   2HB   ARG  13          1HB       ARG  13  -3.021   0.407   8.408
  114   1HG   ARG  13          2HG       ARG  13  -1.517   1.734   6.867
  115   2HG   ARG  13          1HG       ARG  13  -2.760   2.987   6.895
  116   1HD   ARG  13          2HD       ARG  13  -1.573   3.740   8.660
  117   2HD   ARG  13          1HD       ARG  13  -2.509   2.527   9.532
  118    HE   ARG  13           HE       ARG  13  -0.248   1.244   8.589
  119   1HH1  ARG  13          1HH1      ARG  13  -0.975   3.897  10.730
  120   2HH1  ARG  13          2HH1      ARG  13   0.421   3.645  11.723
  121   1HH2  ARG  13          1HH2      ARG  13   1.589   0.906   9.884
  122   2HH2  ARG  13          2HH2      ARG  13   1.882   1.942  11.242
  123    H    SER  14           H        SER  14  -5.766  -1.068   6.933
  124    HA   SER  14           HA       SER  14  -5.288  -3.194   8.305
  125   1HB   SER  14          2HB       SER  14  -6.793  -2.875   5.796
  126   2HB   SER  14          1HB       SER  14  -6.440  -4.543   6.250
  127    HG   SER  14           HG       SER  14  -7.231  -3.428   8.449
  128    H    ARG  15           H        ARG  15  -4.983  -4.058   4.938
  129    HA   ARG  15           HA       ARG  15  -2.240  -4.708   4.964
  130   1HB   ARG  15          2HB       ARG  15  -2.364  -7.153   5.061
  131   2HB   ARG  15          1HB       ARG  15  -2.923  -6.433   6.564
  132   1HG   ARG  15          2HG       ARG  15  -5.206  -6.850   5.992
  133   2HG   ARG  15          1HG       ARG  15  -4.753  -7.379   4.370
  134   1HD   ARG  15          2HD       ARG  15  -3.537  -8.777   6.694
  135   2HD   ARG  15          1HD       ARG  15  -5.231  -9.101   6.327
  136    HE   ARG  15           HE       ARG  15  -3.770  -9.327   3.957
  137   1HH1  ARG  15          1HH1      ARG  15  -4.073 -10.923   7.036
  138   2HH1  ARG  15          2HH1      ARG  15  -3.639 -12.482   6.419
  139   1HH2  ARG  15          1HH2      ARG  15  -3.199 -11.374   3.128
  140   2HH2  ARG  15          2HH2      ARG  15  -3.140 -12.738   4.193
  141    H    SER  16           H        SER  16  -4.124  -3.472   3.303
  142    HA   SER  16           HA       SER  16  -3.413  -4.621   0.798
  143   1HB   SER  16          2HB       SER  16  -6.341  -4.613   0.856
  144   2HB   SER  16          1HB       SER  16  -5.231  -5.808   0.186
  145    HG   SER  16           HG       SER  16  -5.979  -6.924   1.832
  146    H    ASN  17           H        ASN  17  -2.867  -2.170   1.528
  147    HA   ASN  17           HA       ASN  17  -4.121  -0.563  -0.395
  148   1HB   ASN  17          2HB       ASN  17  -5.521  -0.749   2.051
  149   2HB   ASN  17          1HB       ASN  17  -4.808   0.854   1.976
  150   1HD2  ASN  17          1HD2      ASN  17  -6.652  -1.447   0.028
  151   2HD2  ASN  17          2HD2      ASN  17  -7.606  -0.263  -0.791
  152    H    CYS  18           H        CYS  18  -2.819   1.037  -0.914
  153    HA   CYS  18           HA       CYS  18  -0.586   1.683   0.864
  154   1HB   CYS  18          2HB       CYS  18  -0.457   2.877  -1.774
  155   2HB   CYS  18          1HB       CYS  18   0.704   1.836  -0.986
  156    HA   PRO  19           HA       PRO  19  -2.924   5.385   1.803
  157   1HB   PRO  19          2HB       PRO  19  -0.495   6.057   3.340
  158   2HB   PRO  19          1HB       PRO  19  -2.166   5.900   3.890
  159   1HG   PRO  19          2HG       PRO  19  -0.326   4.062   4.510
  160   2HG   PRO  19          1HG       PRO  19  -2.004   3.608   4.159
  161   1HD   PRO  19          2HD       PRO  19   0.413   3.443   2.392
  162   2HD   PRO  19          1HD       PRO  19  -0.898   2.265   2.618
  163    H    LYS  20           H        LYS  20  -2.480   7.741   1.707
  164    HA   LYS  20           HA       LYS  20  -1.479   8.566  -0.713
  165   1HB   LYS  20          2HB       LYS  20  -1.347  10.842   0.312
  166   2HB   LYS  20          1HB       LYS  20  -2.872  10.016   0.614
  167   1HG   LYS  20          2HG       LYS  20  -2.016   9.348   2.837
  168   2HG   LYS  20          1HG       LYS  20  -0.572  10.314   2.528
  169   1HD   LYS  20          2HD       LYS  20  -3.234  11.612   2.213
  170   2HD   LYS  20          1HD       LYS  20  -2.642  11.302   3.847
  171   1HE   LYS  20          2HE       LYS  20  -1.895  13.466   3.345
  172   2HE   LYS  20          1HE       LYS  20  -0.485  12.438   3.101
  173   1HZ   LYS  20          1HZ       LYS  20  -1.684  14.169   1.273
  174   2HZ   LYS  20          2HZ       LYS  20  -1.917  12.599   0.692
  175   3HZ   LYS  20          3HZ       LYS  20  -0.354  13.152   1.025
  176    H    GLY  21           H        GLY  21   0.490   9.282  -1.476
  177   1HA   GLY  21          2HA       GLY  21   2.795   9.186  -1.651
  178   2HA   GLY  21          1HA       GLY  21   2.732  10.072  -0.133
  179    H    LYS  22           H        LYS  22   2.421   6.747  -1.358
  180    HA   LYS  22           HA       LYS  22   4.173   5.841   0.804
  181   1HB   LYS  22          2HB       LYS  22   2.678   4.322   1.642
  182   2HB   LYS  22          1HB       LYS  22   1.544   5.538   1.103
  183   1HG   LYS  22          2HG       LYS  22   2.188   2.883  -0.093
  184   2HG   LYS  22          1HG       LYS  22   0.625   3.557   0.363
  185   1HD   LYS  22          2HD       LYS  22   0.328   4.401  -1.680
  186   2HD   LYS  22          1HD       LYS  22   1.893   5.184  -1.637
  187   1HE   LYS  22          2HE       LYS  22   2.566   2.551  -1.953
  188   2HE   LYS  22          1HE       LYS  22   1.106   2.707  -2.931
  189   1HZ   LYS  22          1HZ       LYS  22   2.809   3.264  -4.374
  190   2HZ   LYS  22          2HZ       LYS  22   3.670   4.131  -3.208
  191   3HZ   LYS  22          3HZ       LYS  22   2.252   4.775  -3.860
  192    H    VAL  23           H        VAL  23   4.331   3.190   0.250
  193    HA   VAL  23           HA       VAL  23   4.468   2.636  -2.533
  194    HB   VAL  23           HB       VAL  23   7.200   2.335  -1.653
  195   1HG1  VAL  23          1HG1      VAL  23   7.039   2.222  -3.904
  196   2HG1  VAL  23          2HG1      VAL  23   7.274   3.966  -3.793
  197   3HG1  VAL  23          3HG1      VAL  23   5.648   3.305  -3.964
  198   1HG2  VAL  23          1HG2      VAL  23   6.414   5.206  -2.000
  199   2HG2  VAL  23          2HG2      VAL  23   7.901   4.531  -1.336
  200   3HG2  VAL  23          3HG2      VAL  23   6.409   4.464  -0.402
  201    H    TRP  24           H        TRP  24   4.822   0.436  -2.948
  202    HA   TRP  24           HA       TRP  24   4.302  -1.243  -0.734
  203   1HB   TRP  24          2HB       TRP  24   3.351  -1.938  -2.738
  204   2HB   TRP  24          1HB       TRP  24   4.847  -1.710  -3.602
  205    HD1  TRP  24           HD       TRP  24   6.433  -3.762  -3.838
  206    HE1  TRP  24           1HE      TRP  24   6.242  -6.239  -3.195
  207    HE3  TRP  24           3HE      TRP  24   2.463  -3.445  -0.680
  208    HZ2  TRP  24           2HZ      TRP  24   4.595  -7.854  -1.575
  209    HZ3  TRP  24           3HZ      TRP  24   1.645  -5.503   0.389
  210    HH2  TRP  24           HH       TRP  24   2.683  -7.658  -0.047
  211    H    ASN  25           H        ASN  25   5.483  -3.184  -0.302
  212    HA   ASN  25           HA       ASN  25   8.396  -2.932  -0.479
  213   1HB   ASN  25          2HB       ASN  25   7.245  -3.741   2.137
  214   2HB   ASN  25          1HB       ASN  25   8.734  -2.867   1.788
  215   1HD2  ASN  25          1HD2      ASN  25   6.247  -2.466   3.535
  216   2HD2  ASN  25          2HD2      ASN  25   5.821  -0.816   3.250
  217    H    GLY  26           H        GLY  26   9.335  -5.021   0.679
  218   1HA   GLY  26          2HA       GLY  26   8.921  -7.223  -0.766
  219   2HA   GLY  26          1HA       GLY  26   9.304  -7.330   0.945
  220    H    PHE  27           H        PHE  27   6.677  -6.085   1.710
  221    HA   PHE  27           HA       PHE  27   4.659  -7.814   0.702
  222   1HB   PHE  27          2HB       PHE  27   5.924  -8.390   3.360
  223   2HB   PHE  27          1HB       PHE  27   4.257  -8.845   3.030
  224    HD1  PHE  27           1HD      PHE  27   3.997 -10.104   0.660
  225    HD2  PHE  27           2HD      PHE  27   7.508 -10.005   3.060
  226    HE1  PHE  27           1HE      PHE  27   4.778 -12.181  -0.404
  227    HE2  PHE  27           2HE      PHE  27   8.298 -12.081   1.999
  228    HZ   PHE  27           HZ       PHE  27   6.930 -13.172   0.266
  229    H    ASP  28           H        ASP  28   4.738  -4.998   0.902
  230    HA   ASP  28           HA       ASP  28   2.299  -4.547   2.328
  231   1HB   ASP  28          2HB       ASP  28   4.857  -3.810   3.637
  232   2HB   ASP  28          1HB       ASP  28   3.473  -2.741   3.829
  233    H    CYS  29           H        CYS  29   1.240  -2.815   1.546
  234    HA   CYS  29           HA       CYS  29   2.637  -1.064  -0.311
  235   1HB   CYS  29          2HB       CYS  29   0.078  -2.164  -0.260
  236   2HB   CYS  29          1HB       CYS  29  -0.146  -0.453   0.090
  237    H    LYS  30           H        LYS  30   3.833   0.172   1.173
  238    HA   LYS  30           HA       LYS  30   2.450   2.453   2.195
  239   1HB   LYS  30          2HB       LYS  30   2.981   0.219   3.953
  240   2HB   LYS  30          1HB       LYS  30   3.755   1.686   4.525
  241   1HG   LYS  30          2HG       LYS  30   1.814   2.225   5.429
  242   2HG   LYS  30          1HG       LYS  30   1.263   2.556   3.793
  243   1HD   LYS  30          2HD       LYS  30  -0.094   0.974   5.400
  244   2HD   LYS  30          1HD       LYS  30   0.019   0.639   3.677
  245   1HE   LYS  30          2HE       LYS  30   1.406  -1.159   3.978
  246   2HE   LYS  30          1HE       LYS  30   2.088  -0.518   5.474
  247   1HZ   LYS  30          1HZ       LYS  30  -0.707  -1.484   5.278
  248   2HZ   LYS  30          2HZ       LYS  30   0.190  -1.172   6.677
  249   3HZ   LYS  30          3HZ       LYS  30   0.581  -2.498   5.703
  250    H    SER  31           H        SER  31   3.849   4.175   2.806
  251    HA   SER  31           HA       SER  31   6.144   4.522   1.428
  252   1HB   SER  31          2HB       SER  31   4.805   6.060   3.200
  253   2HB   SER  31          1HB       SER  31   6.231   5.669   4.162
  254    HG   SER  31           HG       SER  31   5.994   7.416   2.150
  255    HA   PRO  32           HA       PRO  32   8.627   1.176   3.175
  256   1HB   PRO  32          2HB       PRO  32  10.577   2.439   1.315
  257   2HB   PRO  32          1HB       PRO  32  10.125   0.740   1.490
  258   1HG   PRO  32          2HG       PRO  32   9.237   2.174  -0.569
  259   2HG   PRO  32          1HG       PRO  32   8.193   0.984   0.233
  260   1HD   PRO  32          2HD       PRO  32   8.190   3.963   0.449
  261   2HD   PRO  32          1HD       PRO  32   6.823   2.831   0.444
  262    H    PHE  33           H        PHE  33   9.439   4.575   2.956
  263    HA   PHE  33           HA       PHE  33  11.830   4.823   4.190
  264   1HB   PHE  33          2HB       PHE  33   9.541   6.434   5.269
  265   2HB   PHE  33          1HB       PHE  33  11.191   6.943   4.936
  266    HD1  PHE  33           1HD      PHE  33  11.284   5.696   2.121
  267    HD2  PHE  33           2HD      PHE  33   8.472   8.195   4.106
  268    HE1  PHE  33           1HE      PHE  33  10.551   6.590  -0.048
  269    HE2  PHE  33           2HE      PHE  33   7.732   9.093   1.944
  270    HZ   PHE  33           HZ       PHE  33   8.772   8.291  -0.143
  271    H    ALA  34           H        ALA  34   8.807   3.850   5.654
  272    HA   ALA  34           HA       ALA  34  10.176   3.449   8.227
  273   1HB   ALA  34          1HB       ALA  34   7.303   3.147   8.319
  274   2HB   ALA  34          2HB       ALA  34   7.772   4.703   7.633
  275   3HB   ALA  34          3HB       ALA  34   8.354   4.234   9.229
  276    H    PHE  35           H        PHE  35  10.972   1.506   6.744
  277    HA   PHE  35           HA       PHE  35   9.495  -0.802   7.702
  278   1HB   PHE  35          2HB       PHE  35   9.834  -0.141   4.796
  279   2HB   PHE  35          1HB       PHE  35   9.802  -1.827   5.311
  280    HD1  PHE  35           1HD      PHE  35   7.775  -2.890   5.887
  281    HD2  PHE  35           2HD      PHE  35   7.875   1.320   5.272
  282    HE1  PHE  35           1HE      PHE  35   5.316  -2.830   5.922
  283    HE2  PHE  35           2HE      PHE  35   5.418   1.387   5.308
  284    HZ   PHE  35           HZ       PHE  35   4.132  -0.688   5.633
  285    H    SER  36           H        SER  36  11.508  -0.667   9.001
  286    HA   SER  36           HA       SER  36  13.685  -1.214   9.478
  287   1HB   SER  36          2HB       SER  36  12.973  -3.522   7.651
  288   2HB   SER  36          1HB       SER  36  14.250  -3.516   8.867
  289    HG   SER  36           HG       SER  36  11.637  -4.035   9.173
  Start of MODEL   16
    1   1H    GLU   1          1HT       GLU   1  -3.950 -11.841  -5.061
    2   2H    GLU   1          2HT       GLU   1  -2.935 -12.394  -3.791
    3   3H    GLU   1          3HT       GLU   1  -2.316 -12.247  -5.385
    4    HA   GLU   1           HA       GLU   1  -3.270 -10.041  -3.686
    5   1HB   GLU   1          2HB       GLU   1  -1.257 -10.667  -2.726
    6   2HB   GLU   1          1HB       GLU   1  -0.601 -11.267  -4.242
    7   1HG   GLU   1          2HG       GLU   1   0.306  -9.296  -4.768
    8   2HG   GLU   1          1HG       GLU   1  -1.110  -8.392  -4.235
    9    H    LEU   2           H        LEU   2  -3.620  -8.178  -4.731
   10    HA   LEU   2           HA       LEU   2  -3.009  -8.093  -7.603
   11   1HB   LEU   2          2HB       LEU   2  -5.194  -7.000  -5.924
   12   2HB   LEU   2          1HB       LEU   2  -4.672  -6.013  -7.276
   13    HG   LEU   2           HG       LEU   2  -5.455  -8.898  -7.621
   14   1HD1  LEU   2          1HD1      LEU   2  -7.210  -6.452  -7.706
   15   2HD1  LEU   2          2HD1      LEU   2  -7.374  -7.856  -6.651
   16   3HD1  LEU   2          3HD1      LEU   2  -7.657  -8.017  -8.385
   17   1HD2  LEU   2          1HD2      LEU   2  -4.122  -7.724  -9.385
   18   2HD2  LEU   2          2HD2      LEU   2  -5.474  -6.608  -9.576
   19   3HD2  LEU   2          3HD2      LEU   2  -5.691  -8.323  -9.924
   20    HA   PRO   3           HA       PRO   3  -0.244  -4.717  -7.021
   21   1HB   PRO   3          2HB       PRO   3  -0.460  -3.379  -9.324
   22   2HB   PRO   3          1HB       PRO   3   0.151  -5.039  -9.283
   23   1HG   PRO   3          2HG       PRO   3  -2.583  -4.045  -9.999
   24   2HG   PRO   3          1HG       PRO   3  -1.599  -5.284 -10.800
   25   1HD   PRO   3          2HD       PRO   3  -3.624  -5.836  -9.024
   26   2HD   PRO   3          1HD       PRO   3  -2.250  -6.916  -9.334
   27    H    LYS   4           H        LYS   4  -2.246  -4.058  -5.392
   28    HA   LYS   4           HA       LYS   4  -3.868  -1.887  -5.948
   29   1HB   LYS   4          2HB       LYS   4  -4.021  -1.528  -3.599
   30   2HB   LYS   4          1HB       LYS   4  -3.834  -3.262  -3.833
   31   1HG   LYS   4          2HG       LYS   4  -1.263  -2.023  -3.532
   32   2HG   LYS   4          1HG       LYS   4  -2.320  -1.585  -2.189
   33   1HD   LYS   4          2HD       LYS   4  -1.557  -3.546  -1.349
   34   2HD   LYS   4          1HD       LYS   4  -2.861  -4.206  -2.338
   35   1HE   LYS   4          2HE       LYS   4  -1.278  -5.494  -3.252
   36   2HE   LYS   4          1HE       LYS   4  -0.797  -4.041  -4.127
   37   1HZ   LYS   4          1HZ       LYS   4   0.511  -3.723  -1.820
   38   2HZ   LYS   4          2HZ       LYS   4   1.180  -4.463  -3.184
   39   3HZ   LYS   4          3HZ       LYS   4   0.526  -5.410  -1.946
   40    H    LEU   5           H        LEU   5  -3.640   0.385  -5.478
   41    HA   LEU   5           HA       LEU   5  -1.090   1.526  -4.921
   42   1HB   LEU   5          2HB       LEU   5  -1.266   2.763  -7.284
   43   2HB   LEU   5          1HB       LEU   5  -0.312   1.314  -7.027
   44    HG   LEU   5           HG       LEU   5  -2.505   0.077  -7.741
   45   1HD1  LEU   5          1HD1      LEU   5  -2.900   2.829  -8.899
   46   2HD1  LEU   5          2HD1      LEU   5  -3.975   1.970  -7.795
   47   3HD1  LEU   5          3HD1      LEU   5  -3.750   1.382  -9.442
   48   1HD2  LEU   5          1HD2      LEU   5  -1.324   1.378 -10.092
   49   2HD2  LEU   5          2HD2      LEU   5  -1.435  -0.332  -9.673
   50   3HD2  LEU   5          3HD2      LEU   5  -0.162   0.667  -8.972
   51    HA   PRO   6           HA       PRO   6  -4.705   4.459  -4.578
   52   1HB   PRO   6          2HB       PRO   6  -5.865   3.827  -2.268
   53   2HB   PRO   6          1HB       PRO   6  -6.209   2.895  -3.730
   54   1HG   PRO   6          2HG       PRO   6  -4.563   2.170  -1.373
   55   2HG   PRO   6          1HG       PRO   6  -5.467   1.126  -2.481
   56   1HD   PRO   6          2HD       PRO   6  -2.671   1.740  -2.534
   57   2HD   PRO   6          1HD       PRO   6  -3.590   0.738  -3.666
   58    H    ASP   7           H        ASP   7  -5.291   5.593  -2.134
   59    HA   ASP   7           HA       ASP   7  -3.048   5.975  -0.463
   60   1HB   ASP   7          2HB       ASP   7  -2.826   8.488  -1.199
   61   2HB   ASP   7          1HB       ASP   7  -1.908   7.228  -2.019
   62    H    ASP   8           H        ASP   8  -5.396   8.308  -1.747
   63    HA   ASP   8           HA       ASP   8  -6.579   8.451   0.947
   64   1HB   ASP   8          2HB       ASP   8  -5.259  10.482  -0.402
   65   2HB   ASP   8          1HB       ASP   8  -6.961  10.839  -0.680
   66    H    LYS   9           H        LYS   9  -7.664   6.610  -0.653
   67    HA   LYS   9           HA       LYS   9 -10.255   7.788  -1.310
   68   1HB   LYS   9          2HB       LYS   9 -10.344   6.334  -3.374
   69   2HB   LYS   9          1HB       LYS   9  -9.268   7.722  -3.460
   70   1HG   LYS   9          2HG       LYS   9  -7.450   6.026  -2.707
   71   2HG   LYS   9          1HG       LYS   9  -8.604   4.820  -3.282
   72   1HD   LYS   9          2HD       LYS   9  -8.621   6.588  -5.341
   73   2HD   LYS   9          1HD       LYS   9  -6.952   6.732  -4.786
   74   1HE   LYS   9          2HE       LYS   9  -6.443   4.561  -5.319
   75   2HE   LYS   9          1HE       LYS   9  -8.107   4.011  -5.129
   76   1HZ   LYS   9          1HZ       LYS   9  -8.354   5.665  -7.203
   77   2HZ   LYS   9          2HZ       LYS   9  -8.054   4.008  -7.361
   78   3HZ   LYS   9          3HZ       LYS   9  -6.776   5.112  -7.458
   79    H    VAL  10           H        VAL  10  -8.489   4.704  -1.279
   80    HA   VAL  10           HA       VAL  10 -10.745   3.521   0.197
   81    HB   VAL  10           HB       VAL  10  -8.985   2.010  -1.716
   82   1HG1  VAL  10          1HG1      VAL  10 -11.534   0.873  -1.479
   83   2HG1  VAL  10          2HG1      VAL  10 -11.040   1.312   0.155
   84   3HG1  VAL  10          3HG1      VAL  10 -10.015   0.262  -0.824
   85   1HG2  VAL  10          1HG2      VAL  10 -11.065   2.103  -3.214
   86   2HG2  VAL  10          2HG2      VAL  10 -10.037   3.535  -3.147
   87   3HG2  VAL  10          3HG2      VAL  10 -11.545   3.488  -2.235
   88    H    LEU  11           H        LEU  11  -7.659   4.488   0.475
   89    HA   LEU  11           HA       LEU  11  -5.899   2.768   1.325
   90   1HB   LEU  11          2HB       LEU  11  -5.583   4.224   3.463
   91   2HB   LEU  11          1HB       LEU  11  -5.286   4.894   1.872
   92    HG   LEU  11           HG       LEU  11  -7.252   6.183   1.913
   93   1HD1  LEU  11          1HD1      LEU  11  -9.087   5.903   3.345
   94   2HD1  LEU  11          2HD1      LEU  11  -8.181   4.861   4.442
   95   3HD1  LEU  11          3HD1      LEU  11  -8.647   4.270   2.846
   96   1HD2  LEU  11          1HD2      LEU  11  -5.806   6.133   4.528
   97   2HD2  LEU  11          2HD2      LEU  11  -7.170   7.224   4.291
   98   3HD2  LEU  11          3HD2      LEU  11  -5.757   7.338   3.242
   99    H    ILE  12           H        ILE  12  -6.340   0.775   2.014
  100    HA   ILE  12           HA       ILE  12  -7.684   0.503   4.615
  101    HB   ILE  12           HB       ILE  12  -7.984  -1.972   3.574
  102   1HG1  ILE  12          2HG1      ILE  12  -9.049  -0.493   1.275
  103   2HG1  ILE  12          1HG1      ILE  12  -7.294  -0.593   1.328
  104   1HG2  ILE  12          1HG2      ILE  12  -9.631   0.210   4.283
  105   2HG2  ILE  12          2HG2      ILE  12 -10.011  -1.513   4.284
  106   3HG2  ILE  12          3HG2      ILE  12 -10.302  -0.545   2.838
  107   1HD1  ILE  12          1HD1      ILE  12  -8.417  -3.143   1.942
  108   2HD1  ILE  12          2HD1      ILE  12  -7.344  -2.681   0.621
  109   3HD1  ILE  12          3HD1      ILE  12  -9.091  -2.532   0.433
  110    H    ARG  13           H        ARG  13  -6.332  -0.188   6.110
  111    HA   ARG  13           HA       ARG  13  -3.751  -1.208   5.540
  112   1HB   ARG  13          2HB       ARG  13  -5.293  -0.483   7.880
  113   2HB   ARG  13          1HB       ARG  13  -4.446  -1.998   8.150
  114   1HG   ARG  13          2HG       ARG  13  -2.416  -1.012   8.178
  115   2HG   ARG  13          1HG       ARG  13  -2.854   0.168   6.939
  116   1HD   ARG  13          2HD       ARG  13  -3.818   1.613   8.474
  117   2HD   ARG  13          1HD       ARG  13  -4.066   0.341   9.669
  118    HE   ARG  13           HE       ARG  13  -1.305   0.710   9.238
  119   1HH1  ARG  13          1HH1      ARG  13  -4.052   2.287  10.689
  120   2HH1  ARG  13          2HH1      ARG  13  -3.108   3.135  11.868
  121   1HH2  ARG  13          1HH2      ARG  13  -0.050   1.827  10.787
  122   2HH2  ARG  13          2HH2      ARG  13  -0.832   2.876  11.921
  123    H    SER  14           H        SER  14  -6.825  -2.580   5.544
  124    HA   SER  14           HA       SER  14  -6.935  -5.029   6.438
  125   1HB   SER  14          2HB       SER  14  -7.572  -4.049   3.689
  126   2HB   SER  14          1HB       SER  14  -7.787  -5.757   4.074
  127    HG   SER  14           HG       SER  14  -8.937  -3.595   5.512
  128    H    ARG  15           H        ARG  15  -5.788  -5.048   3.133
  129    HA   ARG  15           HA       ARG  15  -3.219  -6.030   3.590
  130   1HB   ARG  15          2HB       ARG  15  -3.485  -8.426   3.163
  131   2HB   ARG  15          1HB       ARG  15  -4.334  -7.949   4.627
  132   1HG   ARG  15          2HG       ARG  15  -5.983  -7.866   2.212
  133   2HG   ARG  15          1HG       ARG  15  -5.379  -9.471   2.628
  134   1HD   ARG  15          2HD       ARG  15  -6.290  -9.237   4.879
  135   2HD   ARG  15          1HD       ARG  15  -6.859  -7.617   4.492
  136    HE   ARG  15           HE       ARG  15  -8.485  -8.566   3.045
  137   1HH1  ARG  15          1HH1      ARG  15  -6.713 -10.977   4.869
  138   2HH1  ARG  15          2HH1      ARG  15  -7.917 -12.196   4.643
  139   1HH2  ARG  15          1HH2      ARG  15 -10.051 -10.180   2.755
  140   2HH2  ARG  15          2HH2      ARG  15  -9.805 -11.749   3.446
  141    H    SER  16           H        SER  16  -4.622  -4.329   1.840
  142    HA   SER  16           HA       SER  16  -3.398  -5.089  -0.613
  143   1HB   SER  16          2HB       SER  16  -6.404  -5.341  -0.462
  144   2HB   SER  16          1HB       SER  16  -5.508  -5.232  -1.976
  145    HG   SER  16           HG       SER  16  -5.884  -7.401  -1.397
  146    H    ASN  17           H        ASN  17  -3.059  -2.786   0.768
  147    HA   ASN  17           HA       ASN  17  -3.907  -0.859  -1.182
  148   1HB   ASN  17          2HB       ASN  17  -5.519  -1.200   1.115
  149   2HB   ASN  17          1HB       ASN  17  -4.656   0.323   1.306
  150   1HD2  ASN  17          1HD2      ASN  17  -6.269  -1.480  -1.292
  151   2HD2  ASN  17          2HD2      ASN  17  -7.137  -0.126  -1.923
  152    H    CYS  18           H        CYS  18  -3.003   1.245  -0.856
  153    HA   CYS  18           HA       CYS  18  -0.670   1.329   0.925
  154   1HB   CYS  18          2HB       CYS  18  -0.322   2.752  -1.615
  155   2HB   CYS  18          1HB       CYS  18   0.796   1.706  -0.774
  156    HA   PRO  19           HA       PRO  19  -2.645   5.100   2.213
  157   1HB   PRO  19          2HB       PRO  19   0.053   5.785   3.229
  158   2HB   PRO  19          1HB       PRO  19  -1.481   5.671   4.098
  159   1HG   PRO  19          2HG       PRO  19   0.387   3.803   4.397
  160   2HG   PRO  19          1HG       PRO  19  -1.331   3.366   4.324
  161   1HD   PRO  19          2HD       PRO  19   0.761   3.186   2.185
  162   2HD   PRO  19          1HD       PRO  19  -0.496   2.013   2.629
  163    H    LYS  20           H        LYS  20  -1.437   7.522   2.489
  164    HA   LYS  20           HA       LYS  20  -1.273   8.443  -0.210
  165   1HB   LYS  20          2HB       LYS  20  -0.982  10.649   0.775
  166   2HB   LYS  20          1HB       LYS  20  -2.268   9.786   1.611
  167   1HG   LYS  20          2HG       LYS  20  -1.038   9.525   3.530
  168   2HG   LYS  20          1HG       LYS  20   0.505   9.656   2.685
  169   1HD   LYS  20          2HD       LYS  20  -0.218  12.087   2.209
  170   2HD   LYS  20          1HD       LYS  20  -1.386  11.832   3.506
  171   1HE   LYS  20          2HE       LYS  20   1.601  11.489   3.726
  172   2HE   LYS  20          1HE       LYS  20   0.677  12.863   4.330
  173   1HZ   LYS  20          1HZ       LYS  20  -0.516  11.348   5.804
  174   2HZ   LYS  20          2HZ       LYS  20   1.149  11.307   6.099
  175   3HZ   LYS  20          3HZ       LYS  20   0.412  10.049   5.243
  176    H    GLY  21           H        GLY  21   0.513   9.228  -1.336
  177   1HA   GLY  21          2HA       GLY  21   2.722   8.883  -2.028
  178   2HA   GLY  21          1HA       GLY  21   3.000   9.908  -0.625
  179    H    LYS  22           H        LYS  22   2.497   6.509  -1.520
  180    HA   LYS  22           HA       LYS  22   4.465   5.789   0.523
  181   1HB   LYS  22          2HB       LYS  22   3.155   4.011   1.310
  182   2HB   LYS  22          1HB       LYS  22   2.029   5.337   1.148
  183   1HG   LYS  22          2HG       LYS  22   2.393   3.056  -0.769
  184   2HG   LYS  22          1HG       LYS  22   1.050   3.288   0.352
  185   1HD   LYS  22          2HD       LYS  22   0.045   4.325  -1.346
  186   2HD   LYS  22          1HD       LYS  22   1.111   5.660  -0.966
  187   1HE   LYS  22          2HE       LYS  22   0.991   4.788  -3.407
  188   2HE   LYS  22          1HE       LYS  22   2.556   5.185  -2.708
  189   1HZ   LYS  22          1HZ       LYS  22   2.111   2.914  -3.937
  190   2HZ   LYS  22          2HZ       LYS  22   1.614   2.448  -2.390
  191   3HZ   LYS  22          3HZ       LYS  22   3.178   3.034  -2.632
  192    H    VAL  23           H        VAL  23   4.557   3.103   0.090
  193    HA   VAL  23           HA       VAL  23   4.904   2.441  -2.657
  194    HB   VAL  23           HB       VAL  23   7.503   2.005  -1.710
  195   1HG1  VAL  23          1HG1      VAL  23   6.261   3.825  -3.741
  196   2HG1  VAL  23          2HG1      VAL  23   7.082   2.285  -3.998
  197   3HG1  VAL  23          3HG1      VAL  23   8.009   3.712  -3.535
  198   1HG2  VAL  23          1HG2      VAL  23   7.055   3.774  -0.030
  199   2HG2  VAL  23          2HG2      VAL  23   6.726   4.896  -1.351
  200   3HG2  VAL  23          3HG2      VAL  23   8.337   4.200  -1.165
  201    H    TRP  24           H        TRP  24   4.654   0.280  -2.841
  202    HA   TRP  24           HA       TRP  24   4.386  -1.302  -0.530
  203   1HB   TRP  24          2HB       TRP  24   3.048  -1.972  -2.293
  204   2HB   TRP  24          1HB       TRP  24   4.355  -1.816  -3.435
  205    HD1  TRP  24           HD       TRP  24   5.949  -3.923  -3.787
  206    HE1  TRP  24           1HE      TRP  24   5.669  -6.406  -3.186
  207    HE3  TRP  24           3HE      TRP  24   2.181  -3.480  -0.402
  208    HZ2  TRP  24           2HZ      TRP  24   4.036  -7.972  -1.502
  209    HZ3  TRP  24           3HZ      TRP  24   1.330  -5.521   0.676
  210    HH2  TRP  24           HH       TRP  24   2.226  -7.713   0.136
  211    H    ASN  25           H        ASN  25   5.442  -3.315  -0.190
  212    HA   ASN  25           HA       ASN  25   8.272  -3.410  -0.924
  213   1HB   ASN  25          2HB       ASN  25   7.717  -2.211   1.369
  214   2HB   ASN  25          1HB       ASN  25   7.548  -3.867   1.943
  215   1HD2  ASN  25          1HD2      ASN  25   9.316  -4.979   2.443
  216   2HD2  ASN  25          2HD2      ASN  25  10.938  -4.446   2.175
  217    H    GLY  26           H        GLY  26   9.162  -5.513   0.340
  218   1HA   GLY  26          2HA       GLY  26   8.453  -7.734  -0.884
  219   2HA   GLY  26          1HA       GLY  26   8.889  -7.777   0.812
  220    H    PHE  27           H        PHE  27   6.412  -6.362   1.700
  221    HA   PHE  27           HA       PHE  27   4.228  -7.936   0.781
  222   1HB   PHE  27          2HB       PHE  27   5.781  -8.824   3.111
  223   2HB   PHE  27          1HB       PHE  27   4.040  -8.764   3.362
  224    HD1  PHE  27           1HD      PHE  27   6.510 -10.947   2.673
  225    HD2  PHE  27           2HD      PHE  27   2.808  -9.661   1.013
  226    HE1  PHE  27           1HE      PHE  27   6.274 -13.114   1.531
  227    HE2  PHE  27           2HE      PHE  27   2.566 -11.824  -0.132
  228    HZ   PHE  27           HZ       PHE  27   4.299 -13.556   0.127
  229    H    ASP  28           H        ASP  28   4.527  -5.144   1.018
  230    HA   ASP  28           HA       ASP  28   2.185  -4.528   2.533
  231   1HB   ASP  28          2HB       ASP  28   4.839  -3.980   3.753
  232   2HB   ASP  28          1HB       ASP  28   3.526  -2.836   4.010
  233    H    CYS  29           H        CYS  29   1.272  -2.671   1.890
  234    HA   CYS  29           HA       CYS  29   2.747  -1.014  -0.019
  235   1HB   CYS  29          2HB       CYS  29   0.084  -1.983   0.125
  236   2HB   CYS  29          1HB       CYS  29   0.035  -0.229   0.236
  237    H    LYS  30           H        LYS  30   3.938   0.389   1.264
  238    HA   LYS  30           HA       LYS  30   2.509   2.592   2.386
  239   1HB   LYS  30          2HB       LYS  30   4.286   1.560   4.489
  240   2HB   LYS  30          1HB       LYS  30   2.742   2.384   4.617
  241   1HG   LYS  30          2HG       LYS  30   2.758  -0.406   3.646
  242   2HG   LYS  30          1HG       LYS  30   3.073  -0.102   5.349
  243   1HD   LYS  30          2HD       LYS  30   0.969   0.735   5.741
  244   2HD   LYS  30          1HD       LYS  30   0.734   1.230   4.067
  245   1HE   LYS  30          2HE       LYS  30   0.249  -0.965   3.374
  246   2HE   LYS  30          1HE       LYS  30   0.924  -1.665   4.843
  247   1HZ   LYS  30          1HZ       LYS  30  -1.703  -1.177   4.384
  248   2HZ   LYS  30          2HZ       LYS  30  -1.251   0.131   5.355
  249   3HZ   LYS  30          3HZ       LYS  30  -1.005  -1.449   5.901
  250    H    SER  31           H        SER  31   3.886   4.245   3.243
  251    HA   SER  31           HA       SER  31   5.825   5.064   1.538
  252   1HB   SER  31          2HB       SER  31   6.113   6.845   2.931
  253   2HB   SER  31          1HB       SER  31   4.725   6.146   3.763
  254    HG   SER  31           HG       SER  31   6.021   5.366   5.313
  255    HA   PRO  32           HA       PRO  32   9.546   2.849   2.298
  256   1HB   PRO  32          2HB       PRO  32  11.458   4.696   1.866
  257   2HB   PRO  32          1HB       PRO  32  10.435   4.083   0.560
  258   1HG   PRO  32          2HG       PRO  32  10.211   6.637   2.103
  259   2HG   PRO  32          1HG       PRO  32  10.007   6.359   0.364
  260   1HD   PRO  32          2HD       PRO  32   7.920   6.594   2.112
  261   2HD   PRO  32          1HD       PRO  32   7.837   5.656   0.608
  262    H    PHE  33           H        PHE  33   8.895   5.636   4.203
  263    HA   PHE  33           HA       PHE  33  11.090   5.482   5.973
  264   1HB   PHE  33          2HB       PHE  33   8.424   6.438   6.901
  265   2HB   PHE  33          1HB       PHE  33  10.020   7.126   7.179
  266    HD1  PHE  33           1HD      PHE  33   7.098   8.007   5.881
  267    HD2  PHE  33           2HD      PHE  33  11.118   7.526   4.575
  268    HE1  PHE  33           1HE      PHE  33   6.701   9.630   4.076
  269    HE2  PHE  33           2HE      PHE  33  10.730   9.148   2.769
  270    HZ   PHE  33           HZ       PHE  33   8.520  10.205   2.517
  271    H    ALA  34           H        ALA  34   8.350   3.527   5.535
  272    HA   ALA  34           HA       ALA  34   8.620   2.364   8.220
  273   1HB   ALA  34          1HB       ALA  34   6.348   2.374   6.253
  274   2HB   ALA  34          2HB       ALA  34   6.385   3.032   7.889
  275   3HB   ALA  34          3HB       ALA  34   6.393   1.286   7.640
  276    H    PHE  35           H        PHE  35  10.598   1.756   6.423
  277    HA   PHE  35           HA       PHE  35  10.440  -1.094   6.349
  278   1HB   PHE  35          2HB       PHE  35  10.461   0.402   3.717
  279   2HB   PHE  35          1HB       PHE  35  10.827  -1.312   3.886
  280    HD1  PHE  35           1HD      PHE  35   8.997  -2.732   5.090
  281    HD2  PHE  35           2HD      PHE  35   8.301   1.046   3.260
  282    HE1  PHE  35           1HE      PHE  35   6.604  -3.267   4.905
  283    HE2  PHE  35           2HE      PHE  35   5.906   0.519   3.073
  284    HZ   PHE  35           HZ       PHE  35   5.055  -1.642   3.896
  285    H    SER  36           H        SER  36  12.128   0.671   7.639
  286    HA   SER  36           HA       SER  36  14.673   0.278   6.204
  287   1HB   SER  36          2HB       SER  36  15.545   2.246   7.358
  288   2HB   SER  36          1HB       SER  36  14.075   2.665   6.477
  289    HG   SER  36           HG       SER  36  13.557   1.837   9.017
  Start of MODEL   17
    1   1H    GLU   1          1HT       GLU   1  -3.654 -10.884 -11.337
    2   2H    GLU   1          2HT       GLU   1  -3.016  -9.946 -12.624
    3   3H    GLU   1          3HT       GLU   1  -4.636 -10.510 -12.691
    4    HA   GLU   1           HA       GLU   1  -4.931  -8.375 -12.089
    5   1HB   GLU   1          2HB       GLU   1  -6.126  -9.717 -10.542
    6   2HB   GLU   1          1HB       GLU   1  -4.668 -10.116  -9.643
    7   1HG   GLU   1          2HG       GLU   1  -4.572  -8.016  -8.635
    8   2HG   GLU   1          1HG       GLU   1  -5.672  -7.302  -9.812
    9    H    LEU   2           H        LEU   2  -4.253  -6.425 -11.059
   10    HA   LEU   2           HA       LEU   2  -1.365  -6.374 -10.549
   11   1HB   LEU   2          2HB       LEU   2  -3.234  -4.086 -11.164
   12   2HB   LEU   2          1HB       LEU   2  -1.492  -3.978 -11.001
   13    HG   LEU   2           HG       LEU   2  -1.573  -4.075 -13.259
   14   1HD1  LEU   2          1HD1      LEU   2  -2.053  -7.016 -12.892
   15   2HD1  LEU   2          2HD1      LEU   2  -0.551  -6.241 -12.385
   16   3HD1  LEU   2          3HD1      LEU   2  -1.036  -6.204 -14.081
   17   1HD2  LEU   2          1HD2      LEU   2  -3.783  -5.938 -13.696
   18   2HD2  LEU   2          2HD2      LEU   2  -3.462  -4.363 -14.423
   19   3HD2  LEU   2          3HD2      LEU   2  -4.243  -4.464 -12.845
   20    HA   PRO   3           HA       PRO   3  -1.784  -5.434  -6.285
   21   1HB   PRO   3          2HB       PRO   3   0.210  -3.626  -5.900
   22   2HB   PRO   3          1HB       PRO   3   0.503  -5.350  -6.159
   23   1HG   PRO   3          2HG       PRO   3   0.641  -3.090  -8.121
   24   2HG   PRO   3          1HG       PRO   3   1.767  -4.444  -7.894
   25   1HD   PRO   3          2HD       PRO   3  -0.068  -4.434  -9.867
   26   2HD   PRO   3          1HD       PRO   3   0.410  -5.930  -9.037
   27    H    LYS   4           H        LYS   4  -1.682  -3.434  -4.724
   28    HA   LYS   4           HA       LYS   4  -3.623  -1.500  -5.761
   29   1HB   LYS   4          2HB       LYS   4  -3.586  -0.971  -3.137
   30   2HB   LYS   4          1HB       LYS   4  -4.569  -2.254  -3.829
   31   1HG   LYS   4          2HG       LYS   4  -1.788  -2.825  -2.904
   32   2HG   LYS   4          1HG       LYS   4  -3.116  -2.735  -1.747
   33   1HD   LYS   4          2HD       LYS   4  -4.012  -4.686  -2.434
   34   2HD   LYS   4          1HD       LYS   4  -3.656  -4.366  -4.132
   35   1HE   LYS   4          2HE       LYS   4  -2.418  -6.269  -2.728
   36   2HE   LYS   4          1HE       LYS   4  -1.636  -5.393  -4.043
   37   1HZ   LYS   4          1HZ       LYS   4  -1.458  -4.236  -1.368
   38   2HZ   LYS   4          2HZ       LYS   4  -0.321  -4.246  -2.619
   39   3HZ   LYS   4          3HZ       LYS   4  -0.543  -5.627  -1.667
   40    H    LEU   5           H        LEU   5  -3.481   0.739  -5.036
   41    HA   LEU   5           HA       LEU   5  -1.051   1.795  -4.004
   42   1HB   LEU   5          2HB       LEU   5  -0.809   3.240  -6.220
   43   2HB   LEU   5          1HB       LEU   5   0.045   1.728  -5.986
   44    HG   LEU   5           HG       LEU   5  -1.699   0.560  -7.289
   45   1HD1  LEU   5          1HD1      LEU   5  -3.642   1.495  -7.812
   46   2HD1  LEU   5          2HD1      LEU   5  -2.844   2.896  -8.525
   47   3HD1  LEU   5          3HD1      LEU   5  -3.188   2.862  -6.796
   48   1HD2  LEU   5          1HD2      LEU   5  -0.087   2.790  -8.432
   49   2HD2  LEU   5          2HD2      LEU   5  -1.192   1.908  -9.483
   50   3HD2  LEU   5          3HD2      LEU   5   0.094   1.048  -8.638
   51    HA   PRO   6           HA       PRO   6  -4.810   4.594  -3.981
   52   1HB   PRO   6          2HB       PRO   6  -6.046   3.905  -1.709
   53   2HB   PRO   6          1HB       PRO   6  -6.309   3.003  -3.205
   54   1HG   PRO   6          2HG       PRO   6  -4.691   2.279  -0.821
   55   2HG   PRO   6          1HG       PRO   6  -5.604   1.235  -1.922
   56   1HD   PRO   6          2HD       PRO   6  -2.829   1.710  -1.980
   57   2HD   PRO   6          1HD       PRO   6  -3.793   0.907  -3.227
   58    H    ASP   7           H        ASP   7  -5.577   5.807  -1.668
   59    HA   ASP   7           HA       ASP   7  -3.534   6.266   0.205
   60   1HB   ASP   7          2HB       ASP   7  -2.976   8.639  -0.577
   61   2HB   ASP   7          1HB       ASP   7  -2.217   7.305  -1.441
   62    H    ASP   8           H        ASP   8  -5.919   8.219  -1.580
   63    HA   ASP   8           HA       ASP   8  -7.149   8.866   1.019
   64   1HB   ASP   8          2HB       ASP   8  -6.071  10.623  -0.981
   65   2HB   ASP   8          1HB       ASP   8  -7.797  10.919  -0.805
   66    H    LYS   9           H        LYS   9  -8.283   6.757   0.158
   67    HA   LYS   9           HA       LYS   9 -10.878   7.586  -0.715
   68   1HB   LYS   9          2HB       LYS   9 -10.694   5.644  -2.531
   69   2HB   LYS   9          1HB       LYS   9 -10.340   7.326  -2.899
   70   1HG   LYS   9          2HG       LYS   9  -7.955   6.163  -1.934
   71   2HG   LYS   9          1HG       LYS   9  -8.649   5.052  -3.115
   72   1HD   LYS   9          2HD       LYS   9  -8.620   7.932  -3.817
   73   2HD   LYS   9          1HD       LYS   9  -7.069   7.088  -3.807
   74   1HE   LYS   9          2HE       LYS   9  -7.595   6.488  -5.898
   75   2HE   LYS   9          1HE       LYS   9  -8.671   5.319  -5.133
   76   1HZ   LYS   9          1HZ       LYS   9  -9.565   8.064  -5.773
   77   2HZ   LYS   9          2HZ       LYS   9 -10.509   6.696  -5.461
   78   3HZ   LYS   9          3HZ       LYS   9  -9.650   6.816  -6.913
   79    H    VAL  10           H        VAL  10  -8.922   4.608  -0.592
   80    HA   VAL  10           HA       VAL  10 -10.949   3.467   1.216
   81    HB   VAL  10           HB       VAL  10  -9.479   2.041  -0.995
   82   1HG1  VAL  10          1HG1      VAL  10  -9.712   0.418   0.639
   83   2HG1  VAL  10          2HG1      VAL  10 -11.176   0.207  -0.322
   84   3HG1  VAL  10          3HG1      VAL  10 -11.246   1.072   1.213
   85   1HG2  VAL  10          1HG2      VAL  10 -11.929   1.665  -1.741
   86   2HG2  VAL  10          2HG2      VAL  10 -11.167   3.222  -2.067
   87   3HG2  VAL  10          3HG2      VAL  10 -12.283   3.053  -0.712
   88    H    LEU  11           H        LEU  11  -7.873   4.492   1.078
   89    HA   LEU  11           HA       LEU  11  -5.977   2.865   1.806
   90   1HB   LEU  11          2HB       LEU  11  -5.733   4.438   3.999
   91   2HB   LEU  11          1HB       LEU  11  -5.212   4.881   2.386
   92    HG   LEU  11           HG       LEU  11  -7.225   6.154   2.018
   93   1HD1  LEU  11          1HD1      LEU  11  -8.072   5.128   4.722
   94   2HD1  LEU  11          2HD1      LEU  11  -8.852   4.816   3.173
   95   3HD1  LEU  11          3HD1      LEU  11  -8.875   6.439   3.858
   96   1HD2  LEU  11          1HD2      LEU  11  -5.223   6.842   3.732
   97   2HD2  LEU  11          2HD2      LEU  11  -6.657   7.140   4.713
   98   3HD2  LEU  11          3HD2      LEU  11  -6.479   7.936   3.149
   99    H    ILE  12           H        ILE  12  -6.182   0.904   2.625
  100    HA   ILE  12           HA       ILE  12  -7.253   0.624   5.343
  101    HB   ILE  12           HB       ILE  12  -7.688  -1.852   4.288
  102   1HG1  ILE  12          2HG1      ILE  12  -9.259  -0.598   2.271
  103   2HG1  ILE  12          1HG1      ILE  12  -7.587  -0.119   2.029
  104   1HG2  ILE  12          1HG2      ILE  12  -9.143   0.103   5.533
  105   2HG2  ILE  12          2HG2      ILE  12  -9.709  -1.518   5.127
  106   3HG2  ILE  12          3HG2      ILE  12 -10.037  -0.171   4.036
  107   1HD1  ILE  12          1HD1      ILE  12  -8.826  -2.535   1.316
  108   2HD1  ILE  12          2HD1      ILE  12  -7.661  -2.903   2.588
  109   3HD1  ILE  12          3HD1      ILE  12  -7.135  -2.074   1.122
  110    H    ARG  13           H        ARG  13  -5.672  -0.068   6.646
  111    HA   ARG  13           HA       ARG  13  -3.214  -1.118   5.734
  112   1HB   ARG  13          2HB       ARG  13  -4.320  -0.323   8.208
  113   2HB   ARG  13          1HB       ARG  13  -3.816  -1.995   8.413
  114   1HG   ARG  13          2HG       ARG  13  -1.646  -1.471   8.381
  115   2HG   ARG  13          1HG       ARG  13  -1.843  -0.307   7.069
  116   1HD   ARG  13          2HD       ARG  13  -1.229   1.029   8.860
  117   2HD   ARG  13          1HD       ARG  13  -2.987   1.160   8.849
  118    HE   ARG  13           HE       ARG  13  -1.923  -0.909  10.565
  119   1HH1  ARG  13          1HH1      ARG  13  -2.947   2.408  10.302
  120   2HH1  ARG  13          2HH1      ARG  13  -3.269   2.580  11.995
  121   1HH2  ARG  13          1HH2      ARG  13  -2.345  -0.697  12.796
  122   2HH2  ARG  13          2HH2      ARG  13  -2.929   0.812  13.414
  123    H    SER  14           H        SER  14  -6.291  -2.465   6.249
  124    HA   SER  14           HA       SER  14  -6.368  -4.921   6.998
  125   1HB   SER  14          2HB       SER  14  -7.188  -3.989   4.259
  126   2HB   SER  14          1HB       SER  14  -7.576  -5.602   4.857
  127    HG   SER  14           HG       SER  14  -8.739  -4.659   6.536
  128    H    ARG  15           H        ARG  15  -5.614  -4.956   3.592
  129    HA   ARG  15           HA       ARG  15  -3.028  -5.999   3.734
  130   1HB   ARG  15          2HB       ARG  15  -3.374  -8.373   3.366
  131   2HB   ARG  15          1HB       ARG  15  -4.134  -7.896   4.878
  132   1HG   ARG  15          2HG       ARG  15  -6.247  -8.232   4.087
  133   2HG   ARG  15          1HG       ARG  15  -5.791  -7.902   2.415
  134   1HD   ARG  15          2HD       ARG  15  -5.172 -10.389   4.001
  135   2HD   ARG  15          1HD       ARG  15  -6.318 -10.243   2.672
  136    HE   ARG  15           HE       ARG  15  -4.541 -10.160   1.160
  137   1HH1  ARG  15          1HH1      ARG  15  -3.394 -10.363   4.452
  138   2HH1  ARG  15          2HH1      ARG  15  -1.793 -10.834   3.995
  139   1HH2  ARG  15          1HH2      ARG  15  -2.437 -10.775   0.560
  140   2HH2  ARG  15          2HH2      ARG  15  -1.248 -11.065   1.786
  141    H    SER  16           H        SER  16  -4.630  -4.254   2.183
  142    HA   SER  16           HA       SER  16  -3.711  -5.000  -0.408
  143   1HB   SER  16          2HB       SER  16  -6.626  -4.675  -0.602
  144   2HB   SER  16          1HB       SER  16  -5.549  -5.771  -1.467
  145    HG   SER  16           HG       SER  16  -6.784  -6.097   1.042
  146    H    ASN  17           H        ASN  17  -3.147  -2.757   0.981
  147    HA   ASN  17           HA       ASN  17  -4.064  -0.736  -0.808
  148   1HB   ASN  17          2HB       ASN  17  -5.535  -1.137   1.600
  149   2HB   ASN  17          1HB       ASN  17  -4.677   0.395   1.713
  150   1HD2  ASN  17          1HD2      ASN  17  -6.228  -1.358  -0.950
  151   2HD2  ASN  17          2HD2      ASN  17  -7.252  -0.056  -1.441
  152    H    CYS  18           H        CYS  18  -3.173   1.422  -0.216
  153    HA   CYS  18           HA       CYS  18  -0.820   1.340   1.503
  154   1HB   CYS  18          2HB       CYS  18  -0.241   2.725  -0.989
  155   2HB   CYS  18          1HB       CYS  18   0.711   1.527  -0.133
  156    HA   PRO  19           HA       PRO  19  -2.285   5.327   2.677
  157   1HB   PRO  19          2HB       PRO  19   0.549   6.087   3.058
  158   2HB   PRO  19          1HB       PRO  19  -0.773   6.050   4.228
  159   1HG   PRO  19          2HG       PRO  19   1.181   4.223   4.274
  160   2HG   PRO  19          1HG       PRO  19  -0.493   3.802   4.674
  161   1HD   PRO  19          2HD       PRO  19   1.040   3.301   2.156
  162   2HD   PRO  19          1HD       PRO  19  -0.125   2.255   2.994
  163    H    LYS  20           H        LYS  20  -0.486   7.622   2.450
  164    HA   LYS  20           HA       LYS  20  -1.057   8.316  -0.318
  165   1HB   LYS  20          2HB       LYS  20  -0.466  10.604   0.392
  166   2HB   LYS  20          1HB       LYS  20  -1.702   9.892   1.421
  167   1HG   LYS  20          2HG       LYS  20   0.256   9.235   2.955
  168   2HG   LYS  20          1HG       LYS  20   1.178  10.421   2.033
  169   1HD   LYS  20          2HD       LYS  20   0.300  12.063   3.246
  170   2HD   LYS  20          1HD       LYS  20  -1.322  11.582   2.742
  171   1HE   LYS  20          2HE       LYS  20  -1.345  11.489   5.092
  172   2HE   LYS  20          1HE       LYS  20  -1.200   9.814   4.559
  173   1HZ   LYS  20          1HZ       LYS  20   0.535   9.717   5.927
  174   2HZ   LYS  20          2HZ       LYS  20   0.621  11.397   6.103
  175   3HZ   LYS  20          3HZ       LYS  20   1.378  10.645   4.790
  176    H    GLY  21           H        GLY  21   0.470   8.829  -1.862
  177   1HA   GLY  21          2HA       GLY  21   2.513   8.361  -2.907
  178   2HA   GLY  21          1HA       GLY  21   3.017   9.611  -1.777
  179    H    LYS  22           H        LYS  22   1.956   6.363  -1.015
  180    HA   LYS  22           HA       LYS  22   4.273   5.900   0.612
  181   1HB   LYS  22          2HB       LYS  22   3.055   3.592   0.824
  182   2HB   LYS  22          1HB       LYS  22   2.378   5.022   1.585
  183   1HG   LYS  22          2HG       LYS  22   0.785   3.537   0.328
  184   2HG   LYS  22          1HG       LYS  22   0.731   5.252  -0.056
  185   1HD   LYS  22          2HD       LYS  22   0.628   3.984  -2.109
  186   2HD   LYS  22          1HD       LYS  22   2.174   4.826  -2.024
  187   1HE   LYS  22          2HE       LYS  22   2.939   2.536  -0.926
  188   2HE   LYS  22          1HE       LYS  22   1.578   1.919  -1.853
  189   1HZ   LYS  22          1HZ       LYS  22   3.812   3.496  -3.000
  190   2HZ   LYS  22          2HZ       LYS  22   2.536   2.792  -3.856
  191   3HZ   LYS  22          3HZ       LYS  22   3.673   1.813  -3.080
  192    H    VAL  23           H        VAL  23   4.687   3.196   0.325
  193    HA   VAL  23           HA       VAL  23   5.372   2.578  -2.389
  194    HB   VAL  23           HB       VAL  23   7.780   2.157  -1.554
  195   1HG1  VAL  23          1HG1      VAL  23   8.461   4.292  -2.433
  196   2HG1  VAL  23          2HG1      VAL  23   6.876   4.978  -2.076
  197   3HG1  VAL  23          3HG1      VAL  23   7.041   3.743  -3.322
  198   1HG2  VAL  23          1HG2      VAL  23   6.672   3.469   0.703
  199   2HG2  VAL  23          2HG2      VAL  23   7.903   4.515  -0.002
  200   3HG2  VAL  23          3HG2      VAL  23   8.314   2.868   0.477
  201    H    TRP  24           H        TRP  24   4.865   0.483  -2.564
  202    HA   TRP  24           HA       TRP  24   4.502  -1.197  -0.335
  203   1HB   TRP  24          2HB       TRP  24   3.130  -1.692  -2.135
  204   2HB   TRP  24          1HB       TRP  24   4.435  -1.521  -3.283
  205    HD1  TRP  24           HD       TRP  24   5.872  -3.682  -3.839
  206    HE1  TRP  24           1HE      TRP  24   5.471  -6.181  -3.413
  207    HE3  TRP  24           3HE      TRP  24   2.249  -3.295  -0.293
  208    HZ2  TRP  24           2HZ      TRP  24   3.823  -7.781  -1.786
  209    HZ3  TRP  24           3HZ      TRP  24   1.331  -5.367   0.669
  210    HH2  TRP  24           HH       TRP  24   2.087  -7.553  -0.065
  211    H    ASN  25           H        ASN  25   5.455  -3.411  -0.323
  212    HA   ASN  25           HA       ASN  25   8.260  -3.574  -1.070
  213   1HB   ASN  25          2HB       ASN  25   8.000  -2.437   1.247
  214   2HB   ASN  25          1HB       ASN  25   7.533  -4.036   1.815
  215   1HD2  ASN  25          1HD2      ASN  25   9.101  -5.222   2.594
  216   2HD2  ASN  25          2HD2      ASN  25  10.777  -5.095   2.194
  217    H    GLY  26           H        GLY  26   9.104  -5.795  -0.039
  218   1HA   GLY  26          2HA       GLY  26   8.223  -7.901  -1.317
  219   2HA   GLY  26          1HA       GLY  26   8.700  -8.068   0.360
  220    H    PHE  27           H        PHE  27   6.386  -6.651   1.480
  221    HA   PHE  27           HA       PHE  27   4.046  -7.941   0.506
  222   1HB   PHE  27          2HB       PHE  27   5.540  -9.111   2.797
  223   2HB   PHE  27          1HB       PHE  27   3.781  -9.102   2.872
  224    HD1  PHE  27           1HD      PHE  27   2.731  -9.820   0.433
  225    HD2  PHE  27           2HD      PHE  27   6.446 -11.078   2.085
  226    HE1  PHE  27           1HE      PHE  27   2.666 -11.844  -0.967
  227    HE2  PHE  27           2HE      PHE  27   6.388 -13.102   0.688
  228    HZ   PHE  27           HZ       PHE  27   4.496 -13.487  -0.841
  229    H    ASP  28           H        ASP  28   4.468  -5.248   0.901
  230    HA   ASP  28           HA       ASP  28   2.364  -4.606   2.730
  231   1HB   ASP  28          2HB       ASP  28   5.186  -4.182   3.591
  232   2HB   ASP  28          1HB       ASP  28   3.936  -3.049   4.094
  233    H    CYS  29           H        CYS  29   1.472  -2.682   2.260
  234    HA   CYS  29           HA       CYS  29   2.823  -1.039   0.239
  235   1HB   CYS  29          2HB       CYS  29   0.166  -1.997   0.553
  236   2HB   CYS  29          1HB       CYS  29   0.121  -0.245   0.700
  237    H    LYS  30           H        LYS  30   4.092   0.393   1.450
  238    HA   LYS  30           HA       LYS  30   2.676   2.461   2.835
  239   1HB   LYS  30          2HB       LYS  30   3.639   0.238   4.310
  240   2HB   LYS  30          1HB       LYS  30   4.603   1.640   4.746
  241   1HG   LYS  30          2HG       LYS  30   2.964   2.086   6.171
  242   2HG   LYS  30          1HG       LYS  30   2.117   2.692   4.754
  243   1HD   LYS  30          2HD       LYS  30   0.892   1.060   6.330
  244   2HD   LYS  30          1HD       LYS  30   0.772   0.809   4.592
  245   1HE   LYS  30          2HE       LYS  30   2.110  -1.063   4.634
  246   2HE   LYS  30          1HE       LYS  30   2.957  -0.552   6.094
  247   1HZ   LYS  30          1HZ       LYS  30   1.300  -1.344   7.443
  248   2HZ   LYS  30          2HZ       LYS  30   1.233  -2.474   6.186
  249   3HZ   LYS  30          3HZ       LYS  30   0.100  -1.220   6.256
  250    H    SER  31           H        SER  31   3.780   4.344   2.964
  251    HA   SER  31           HA       SER  31   5.760   5.022   1.275
  252   1HB   SER  31          2HB       SER  31   6.241   6.575   3.605
  253   2HB   SER  31          1HB       SER  31   5.329   7.022   2.165
  254    HG   SER  31           HG       SER  31   4.437   6.170   4.641
  255    HA   PRO  32           HA       PRO  32   9.780   3.820   2.511
  256   1HB   PRO  32          2HB       PRO  32  10.780   6.573   2.679
  257   2HB   PRO  32          1HB       PRO  32  11.189   5.302   1.524
  258   1HG   PRO  32          2HG       PRO  32   9.731   7.463   0.832
  259   2HG   PRO  32          1HG       PRO  32   9.488   5.873   0.089
  260   1HD   PRO  32          2HD       PRO  32   7.887   7.239   2.214
  261   2HD   PRO  32          1HD       PRO  32   7.333   6.263   0.838
  262    H    PHE  33           H        PHE  33   7.949   5.712   4.564
  263    HA   PHE  33           HA       PHE  33   9.799   6.237   6.646
  264   1HB   PHE  33          2HB       PHE  33   6.909   5.665   7.193
  265   2HB   PHE  33          1HB       PHE  33   7.962   6.862   7.935
  266    HD1  PHE  33           1HD      PHE  33   5.112   7.087   6.673
  267    HD2  PHE  33           2HD      PHE  33   9.035   8.011   5.314
  268    HE1  PHE  33           1HE      PHE  33   4.182   8.805   5.180
  269    HE2  PHE  33           2HE      PHE  33   8.114   9.733   3.817
  270    HZ   PHE  33           HZ       PHE  33   5.685  10.134   3.749
  271    H    ALA  34           H        ALA  34   8.039   3.507   5.564
  272    HA   ALA  34           HA       ALA  34   8.552   1.927   7.960
  273   1HB   ALA  34          1HB       ALA  34   6.378   1.875   6.674
  274   2HB   ALA  34          2HB       ALA  34   7.116   0.309   7.009
  275   3HB   ALA  34          3HB       ALA  34   7.257   1.026   5.404
  276    H    PHE  35           H        PHE  35   8.704  -0.498   6.378
  277    HA   PHE  35           HA       PHE  35  11.061  -1.504   6.455
  278   1HB   PHE  35          2HB       PHE  35  10.498  -1.863   3.685
  279   2HB   PHE  35          1HB       PHE  35  10.193  -2.977   5.014
  280    HD1  PHE  35           1HD      PHE  35   8.737  -0.669   2.647
  281    HD2  PHE  35           2HD      PHE  35   8.001  -2.895   6.200
  282    HE1  PHE  35           1HE      PHE  35   6.315  -0.387   2.320
  283    HE2  PHE  35           2HE      PHE  35   5.579  -2.619   5.876
  284    HZ   PHE  35           HZ       PHE  35   4.733  -1.362   3.934
  285    H    SER  36           H        SER  36  10.555   0.019   3.307
  286    HA   SER  36           HA       SER  36  13.138   1.392   3.566
  287   1HB   SER  36          2HB       SER  36  13.832   0.674   1.356
  288   2HB   SER  36          1HB       SER  36  13.459  -0.751   2.327
  289    HG   SER  36           HG       SER  36  12.523  -0.297   0.004
  Start of MODEL   18
    1   1H    GLU   1          1HT       GLU   1  -5.002 -12.501  -3.491
    2   2H    GLU   1          2HT       GLU   1  -5.926 -11.092  -3.817
    3   3H    GLU   1          3HT       GLU   1  -5.377 -11.410  -2.223
    4    HA   GLU   1           HA       GLU   1  -3.693 -10.136  -2.658
    5   1HB   GLU   1          2HB       GLU   1  -3.152 -12.747  -3.545
    6   2HB   GLU   1          1HB       GLU   1  -2.455 -11.687  -4.762
    7   1HG   GLU   1          2HG       GLU   1  -0.683 -11.751  -3.383
    8   2HG   GLU   1          1HG       GLU   1  -1.562 -10.466  -2.555
    9    H    LEU   2           H        LEU   2  -5.201  -8.575  -3.688
   10    HA   LEU   2           HA       LEU   2  -4.932  -8.346  -6.587
   11   1HB   LEU   2          2HB       LEU   2  -6.713  -7.124  -4.526
   12   2HB   LEU   2          1HB       LEU   2  -6.467  -6.273  -6.038
   13    HG   LEU   2           HG       LEU   2  -7.297  -9.146  -6.090
   14   1HD1  LEU   2          1HD1      LEU   2  -9.199  -6.830  -5.778
   15   2HD1  LEU   2          2HD1      LEU   2  -8.820  -8.005  -4.519
   16   3HD1  LEU   2          3HD1      LEU   2  -9.624  -8.527  -5.999
   17   1HD2  LEU   2          1HD2      LEU   2  -6.680  -8.159  -8.187
   18   2HD2  LEU   2          2HD2      LEU   2  -7.722  -6.767  -7.889
   19   3HD2  LEU   2          3HD2      LEU   2  -8.432  -8.359  -8.156
   20    HA   PRO   3           HA       PRO   3  -1.483  -5.570  -6.218
   21   1HB   PRO   3          2HB       PRO   3  -2.454  -4.619  -8.857
   22   2HB   PRO   3          1HB       PRO   3  -0.858  -5.219  -8.394
   23   1HG   PRO   3          2HG       PRO   3  -2.519  -6.716  -9.852
   24   2HG   PRO   3          1HG       PRO   3  -1.483  -7.438  -8.608
   25   1HD   PRO   3          2HD       PRO   3  -4.408  -6.832  -8.525
   26   2HD   PRO   3          1HD       PRO   3  -3.523  -8.214  -7.848
   27    H    LYS   4           H        LYS   4  -2.301  -4.224  -4.581
   28    HA   LYS   4           HA       LYS   4  -4.221  -2.169  -5.184
   29   1HB   LYS   4          2HB       LYS   4  -3.926  -1.482  -2.877
   30   2HB   LYS   4          1HB       LYS   4  -4.094  -3.231  -2.958
   31   1HG   LYS   4          2HG       LYS   4  -1.331  -2.255  -3.070
   32   2HG   LYS   4          1HG       LYS   4  -2.179  -1.929  -1.557
   33   1HD   LYS   4          2HD       LYS   4  -2.336  -4.134  -1.012
   34   2HD   LYS   4          1HD       LYS   4  -2.446  -4.653  -2.694
   35   1HE   LYS   4          2HE       LYS   4   0.073  -3.702  -2.660
   36   2HE   LYS   4          1HE       LYS   4  -0.076  -4.228  -0.984
   37   1HZ   LYS   4          1HZ       LYS   4  -0.075  -5.816  -3.439
   38   2HZ   LYS   4          2HZ       LYS   4  -1.044  -6.359  -2.162
   39   3HZ   LYS   4          3HZ       LYS   4   0.619  -6.153  -1.932
   40    H    LEU   5           H        LEU   5  -3.837   0.097  -4.974
   41    HA   LEU   5           HA       LEU   5  -1.238   1.212  -4.840
   42   1HB   LEU   5          2HB       LEU   5  -1.727   2.162  -7.342
   43   2HB   LEU   5          1HB       LEU   5  -0.621   0.855  -6.967
   44    HG   LEU   5           HG       LEU   5  -2.553  -0.738  -7.359
   45   1HD1  LEU   5          1HD1      LEU   5  -4.044   1.576  -7.383
   46   2HD1  LEU   5          2HD1      LEU   5  -4.578  -0.013  -7.931
   47   3HD1  LEU   5          3HD1      LEU   5  -3.927   1.146  -9.089
   48   1HD2  LEU   5          1HD2      LEU   5  -1.134  -0.882  -9.112
   49   2HD2  LEU   5          2HD2      LEU   5  -1.097   0.863  -9.368
   50   3HD2  LEU   5          3HD2      LEU   5  -2.461  -0.087  -9.960
   51    HA   PRO   6           HA       PRO   6  -4.746   4.245  -4.463
   52   1HB   PRO   6          2HB       PRO   6  -5.740   3.756  -2.013
   53   2HB   PRO   6          1HB       PRO   6  -6.236   2.808  -3.418
   54   1HG   PRO   6          2HG       PRO   6  -4.595   2.003  -1.130
   55   2HG   PRO   6          1HG       PRO   6  -5.402   0.993  -2.338
   56   1HD   PRO   6          2HD       PRO   6  -2.618   1.888  -2.242
   57   2HD   PRO   6          1HD       PRO   6  -3.358   0.632  -3.245
   58    H    ASP   7           H        ASP   7  -5.167   5.763  -2.330
   59    HA   ASP   7           HA       ASP   7  -3.113   6.158  -0.500
   60   1HB   ASP   7          2HB       ASP   7  -2.308   8.381  -1.782
   61   2HB   ASP   7          1HB       ASP   7  -1.477   6.834  -1.917
   62    H    ASP   8           H        ASP   8  -5.397   7.827  -2.611
   63    HA   ASP   8           HA       ASP   8  -6.341   9.325  -0.258
   64   1HB   ASP   8          2HB       ASP   8  -6.969  11.141  -1.966
   65   2HB   ASP   8          1HB       ASP   8  -5.268  10.983  -1.535
   66    H    LYS   9           H        LYS   9  -7.452   6.927  -0.838
   67    HA   LYS   9           HA       LYS   9 -10.109   7.705  -1.790
   68   1HB   LYS   9          2HB       LYS   9  -9.135   4.979  -2.489
   69   2HB   LYS   9          1HB       LYS   9 -10.319   5.989  -3.307
   70   1HG   LYS   9          2HG       LYS   9  -7.467   6.841  -3.303
   71   2HG   LYS   9          1HG       LYS   9  -7.971   5.527  -4.367
   72   1HD   LYS   9          2HD       LYS   9  -9.637   7.982  -4.337
   73   2HD   LYS   9          1HD       LYS   9  -8.055   8.082  -5.114
   74   1HE   LYS   9          2HE       LYS   9  -9.836   5.783  -5.764
   75   2HE   LYS   9          1HE       LYS   9 -10.197   7.360  -6.465
   76   1HZ   LYS   9          1HZ       LYS   9  -7.445   6.810  -6.735
   77   2HZ   LYS   9          2HZ       LYS   9  -8.598   7.058  -7.947
   78   3HZ   LYS   9          3HZ       LYS   9  -8.331   5.502  -7.341
   79    H    VAL  10           H        VAL  10  -8.383   4.880  -0.508
   80    HA   VAL  10           HA       VAL  10 -10.227   4.811   1.756
   81    HB   VAL  10           HB       VAL  10  -9.736   2.517  -0.133
   82   1HG1  VAL  10          1HG1      VAL  10 -10.363   2.516   2.730
   83   2HG1  VAL  10          2HG1      VAL  10  -9.705   1.238   1.708
   84   3HG1  VAL  10          3HG1      VAL  10 -11.443   1.535   1.739
   85   1HG2  VAL  10          1HG2      VAL  10 -12.352   3.609   0.874
   86   2HG2  VAL  10          2HG2      VAL  10 -12.071   2.526  -0.490
   87   3HG2  VAL  10          3HG2      VAL  10 -11.565   4.213  -0.585
   88    H    LEU  11           H        LEU  11  -7.247   3.694   0.258
   89    HA   LEU  11           HA       LEU  11  -5.420   2.604   1.155
   90   1HB   LEU  11          2HB       LEU  11  -4.362   4.072   2.926
   91   2HB   LEU  11          1HB       LEU  11  -4.725   4.827   1.387
   92    HG   LEU  11           HG       LEU  11  -6.924   5.147   3.245
   93   1HD1  LEU  11          1HD1      LEU  11  -5.595   5.244   5.099
   94   2HD1  LEU  11          2HD1      LEU  11  -5.462   6.913   4.543
   95   3HD1  LEU  11          3HD1      LEU  11  -4.174   5.761   4.189
   96   1HD2  LEU  11          1HD2      LEU  11  -7.134   6.924   1.940
   97   2HD2  LEU  11          2HD2      LEU  11  -5.600   6.538   1.159
   98   3HD2  LEU  11          3HD2      LEU  11  -5.627   7.580   2.582
   99    H    ILE  12           H        ILE  12  -7.206   0.942   1.974
  100    HA   ILE  12           HA       ILE  12  -7.657   0.829   4.778
  101    HB   ILE  12           HB       ILE  12  -7.961  -1.732   4.194
  102   1HG1  ILE  12          2HG1      ILE  12  -8.907  -0.908   1.568
  103   2HG1  ILE  12          1HG1      ILE  12  -7.160  -0.808   1.719
  104   1HG2  ILE  12          1HG2      ILE  12  -9.799   0.529   3.535
  105   2HG2  ILE  12          2HG2      ILE  12  -9.785  -0.512   4.958
  106   3HG2  ILE  12          3HG2      ILE  12 -10.298  -1.157   3.399
  107   1HD1  ILE  12          1HD1      ILE  12  -8.509  -3.265   2.667
  108   2HD1  ILE  12          2HD1      ILE  12  -6.903  -3.050   1.971
  109   3HD1  ILE  12          3HD1      ILE  12  -8.328  -3.008   0.933
  110    H    ARG  13           H        ARG  13  -5.994   0.724   6.137
  111    HA   ARG  13           HA       ARG  13  -3.470  -0.337   5.610
  112   1HB   ARG  13          2HB       ARG  13  -4.920   0.654   7.927
  113   2HB   ARG  13          1HB       ARG  13  -3.843  -0.671   8.346
  114   1HG   ARG  13          2HG       ARG  13  -2.080   0.660   6.995
  115   2HG   ARG  13          1HG       ARG  13  -3.184   2.017   7.226
  116   1HD   ARG  13          2HD       ARG  13  -2.846   0.637   9.706
  117   2HD   ARG  13          1HD       ARG  13  -1.262   1.006   9.025
  118    HE   ARG  13           HE       ARG  13  -1.677   3.256   9.328
  119   1HH1  ARG  13          1HH1      ARG  13  -4.570   1.412   9.921
  120   2HH1  ARG  13          2HH1      ARG  13  -5.429   2.741  10.624
  121   1HH2  ARG  13          1HH2      ARG  13  -2.802   5.017  10.247
  122   2HH2  ARG  13          2HH2      ARG  13  -4.425   4.791  10.809
  123    H    SER  14           H        SER  14  -6.441  -1.853   6.256
  124    HA   SER  14           HA       SER  14  -6.242  -4.115   7.538
  125   1HB   SER  14          2HB       SER  14  -7.398  -3.510   4.890
  126   2HB   SER  14          1HB       SER  14  -7.211  -5.222   5.269
  127    HG   SER  14           HG       SER  14  -8.610  -5.033   6.905
  128    H    ARG  15           H        ARG  15  -5.487  -4.590   4.149
  129    HA   ARG  15           HA       ARG  15  -2.819  -5.365   4.442
  130   1HB   ARG  15          2HB       ARG  15  -2.811  -7.671   4.702
  131   2HB   ARG  15          1HB       ARG  15  -4.094  -7.181   5.798
  132   1HG   ARG  15          2HG       ARG  15  -5.538  -8.476   4.737
  133   2HG   ARG  15          1HG       ARG  15  -5.208  -7.657   3.210
  134   1HD   ARG  15          2HD       ARG  15  -3.130  -9.541   4.080
  135   2HD   ARG  15          1HD       ARG  15  -4.687 -10.279   3.709
  136    HE   ARG  15           HE       ARG  15  -4.312  -8.743   1.561
  137   1HH1  ARG  15          1HH1      ARG  15  -2.157 -10.921   3.217
  138   2HH1  ARG  15          2HH1      ARG  15  -1.265 -11.332   1.791
  139   1HH2  ARG  15          1HH2      ARG  15  -3.146  -9.280  -0.327
  140   2HH2  ARG  15          2HH2      ARG  15  -1.825 -10.396  -0.226
  141    H    SER  16           H        SER  16  -4.530  -3.993   2.666
  142    HA   SER  16           HA       SER  16  -3.550  -5.070   0.197
  143   1HB   SER  16          2HB       SER  16  -6.547  -4.892   0.317
  144   2HB   SER  16          1HB       SER  16  -5.532  -5.714  -0.869
  145    HG   SER  16           HG       SER  16  -5.489  -7.418   0.365
  146    H    ASN  17           H        ASN  17  -2.989  -2.654   1.253
  147    HA   ASN  17           HA       ASN  17  -3.894  -0.886  -0.786
  148   1HB   ASN  17          2HB       ASN  17  -5.376  -0.979   1.659
  149   2HB   ASN  17          1HB       ASN  17  -4.577   0.579   1.519
  150   1HD2  ASN  17          1HD2      ASN  17  -5.665  -1.418  -1.147
  151   2HD2  ASN  17          2HD2      ASN  17  -6.884  -0.333  -1.714
  152    H    CYS  18           H        CYS  18  -2.954   1.258  -0.606
  153    HA   CYS  18           HA       CYS  18  -0.564   1.368   1.106
  154   1HB   CYS  18          2HB       CYS  18  -0.298   2.741  -1.467
  155   2HB   CYS  18          1HB       CYS  18   0.836   1.695  -0.654
  156    HA   PRO  19           HA       PRO  19  -2.368   5.187   2.449
  157   1HB   PRO  19          2HB       PRO  19  -0.047   6.285   3.447
  158   2HB   PRO  19          1HB       PRO  19  -1.053   5.117   4.312
  159   1HG   PRO  19          2HG       PRO  19   1.430   4.653   2.705
  160   2HG   PRO  19          1HG       PRO  19   0.964   3.964   4.274
  161   1HD   PRO  19          2HD       PRO  19   0.699   2.552   2.028
  162   2HD   PRO  19          1HD       PRO  19  -0.526   2.465   3.307
  163    H    LYS  20           H        LYS  20  -1.355   7.619   2.474
  164    HA   LYS  20           HA       LYS  20  -1.334   8.429  -0.243
  165   1HB   LYS  20          2HB       LYS  20  -0.839  10.688   0.712
  166   2HB   LYS  20          1HB       LYS  20  -2.241   9.903   1.431
  167   1HG   LYS  20          2HG       LYS  20  -0.878   9.208   3.333
  168   2HG   LYS  20          1HG       LYS  20   0.522  10.008   2.617
  169   1HD   LYS  20          2HD       LYS  20  -1.230  12.047   2.582
  170   2HD   LYS  20          1HD       LYS  20  -1.836  11.163   3.983
  171   1HE   LYS  20          2HE       LYS  20  -0.067  12.970   4.385
  172   2HE   LYS  20          1HE       LYS  20   0.174  11.400   5.149
  173   1HZ   LYS  20          1HZ       LYS  20   1.962  10.954   3.875
  174   2HZ   LYS  20          2HZ       LYS  20   2.054  12.639   3.754
  175   3HZ   LYS  20          3HZ       LYS  20   1.345  11.741   2.509
  176    H    GLY  21           H        GLY  21   0.350   9.139  -1.544
  177   1HA   GLY  21          2HA       GLY  21   2.512   8.755  -2.377
  178   2HA   GLY  21          1HA       GLY  21   2.860   9.921  -1.105
  179    H    LYS  22           H        LYS  22   2.564   6.455  -1.764
  180    HA   LYS  22           HA       LYS  22   4.623   5.985   0.258
  181   1HB   LYS  22          2HB       LYS  22   3.410   4.266   1.280
  182   2HB   LYS  22          1HB       LYS  22   2.265   5.565   1.092
  183   1HG   LYS  22          2HG       LYS  22   2.477   3.067  -0.557
  184   2HG   LYS  22          1HG       LYS  22   1.190   3.516   0.560
  185   1HD   LYS  22          2HD       LYS  22   0.162   4.275  -1.275
  186   2HD   LYS  22          1HD       LYS  22   1.211   5.657  -1.073
  187   1HE   LYS  22          2HE       LYS  22   1.080   4.481  -3.383
  188   2HE   LYS  22          1HE       LYS  22   2.642   4.991  -2.761
  189   1HZ   LYS  22          1HZ       LYS  22   1.638   2.263  -2.283
  190   2HZ   LYS  22          2HZ       LYS  22   3.224   2.829  -2.223
  191   3HZ   LYS  22          3HZ       LYS  22   2.447   2.656  -3.712
  192    H    VAL  23           H        VAL  23   4.661   3.203   0.056
  193    HA   VAL  23           HA       VAL  23   4.956   2.405  -2.678
  194    HB   VAL  23           HB       VAL  23   7.550   1.942  -1.719
  195   1HG1  VAL  23          1HG1      VAL  23   8.187   3.049  -3.709
  196   2HG1  VAL  23          2HG1      VAL  23   6.702   4.000  -3.734
  197   3HG1  VAL  23          3HG1      VAL  23   6.644   2.264  -4.047
  198   1HG2  VAL  23          1HG2      VAL  23   6.908   4.878  -1.577
  199   2HG2  VAL  23          2HG2      VAL  23   8.443   4.085  -1.225
  200   3HG2  VAL  23          3HG2      VAL  23   7.064   3.848  -0.153
  201    H    TRP  24           H        TRP  24   4.629   0.258  -2.793
  202    HA   TRP  24           HA       TRP  24   4.385  -1.282  -0.455
  203   1HB   TRP  24          2HB       TRP  24   2.991  -1.999  -2.126
  204   2HB   TRP  24          1HB       TRP  24   4.204  -1.767  -3.354
  205    HD1  TRP  24           HD       TRP  24   5.912  -3.805  -3.796
  206    HE1  TRP  24           1HE      TRP  24   5.673  -6.321  -3.335
  207    HE3  TRP  24           3HE      TRP  24   2.152  -3.604  -0.394
  208    HZ2  TRP  24           2HZ      TRP  24   4.079  -8.003  -1.723
  209    HZ3  TRP  24           3HZ      TRP  24   1.338  -5.713   0.588
  210    HH2  TRP  24           HH       TRP  24   2.270  -7.861  -0.069
  211    H    ASN  25           H        ASN  25   5.413  -3.374  -0.206
  212    HA   ASN  25           HA       ASN  25   8.236  -3.479  -0.968
  213   1HB   ASN  25          2HB       ASN  25   7.854  -2.289   1.302
  214   2HB   ASN  25          1HB       ASN  25   7.431  -3.886   1.908
  215   1HD2  ASN  25          1HD2      ASN  25   9.015  -5.053   2.707
  216   2HD2  ASN  25          2HD2      ASN  25  10.700  -4.832   2.394
  217    H    GLY  26           H        GLY  26   9.138  -5.629   0.182
  218   1HA   GLY  26          2HA       GLY  26   8.373  -7.807  -1.070
  219   2HA   GLY  26          1HA       GLY  26   8.850  -7.901   0.613
  220    H    PHE  27           H        PHE  27   6.411  -6.508   1.609
  221    HA   PHE  27           HA       PHE  27   4.197  -8.058   0.715
  222   1HB   PHE  27          2HB       PHE  27   3.989  -9.014   3.158
  223   2HB   PHE  27          1HB       PHE  27   4.930  -9.852   1.927
  224    HD1  PHE  27           1HD      PHE  27   6.279 -11.012   3.562
  225    HD2  PHE  27           2HD      PHE  27   6.131  -6.760   3.450
  226    HE1  PHE  27           1HE      PHE  27   8.266 -10.909   5.010
  227    HE2  PHE  27           2HE      PHE  27   8.118  -6.649   4.897
  228    HZ   PHE  27           HZ       PHE  27   9.189  -8.725   5.677
  229    H    ASP  28           H        ASP  28   4.465  -5.268   0.950
  230    HA   ASP  28           HA       ASP  28   2.178  -4.673   2.547
  231   1HB   ASP  28          2HB       ASP  28   4.862  -4.134   3.704
  232   2HB   ASP  28          1HB       ASP  28   3.567  -2.976   3.989
  233    H    CYS  29           H        CYS  29   1.323  -2.650   2.153
  234    HA   CYS  29           HA       CYS  29   2.731  -1.064   0.115
  235   1HB   CYS  29          2HB       CYS  29   0.057  -2.005   0.318
  236   2HB   CYS  29          1HB       CYS  29   0.031  -0.251   0.420
  237    H    LYS  30           H        LYS  30   3.937   0.400   1.309
  238    HA   LYS  30           HA       LYS  30   2.480   2.551   2.516
  239   1HB   LYS  30          2HB       LYS  30   4.432   1.552   4.487
  240   2HB   LYS  30          1HB       LYS  30   2.894   2.359   4.733
  241   1HG   LYS  30          2HG       LYS  30   2.902  -0.444   3.762
  242   2HG   LYS  30          1HG       LYS  30   3.269  -0.114   5.450
  243   1HD   LYS  30          2HD       LYS  30   1.158   0.619   5.917
  244   2HD   LYS  30          1HD       LYS  30   0.882   1.210   4.278
  245   1HE   LYS  30          2HE       LYS  30   0.804  -1.199   3.542
  246   2HE   LYS  30          1HE       LYS  30   0.813  -1.644   5.247
  247   1HZ   LYS  30          1HZ       LYS  30  -1.269  -0.688   5.583
  248   2HZ   LYS  30          2HZ       LYS  30  -1.426  -1.457   4.084
  249   3HZ   LYS  30          3HZ       LYS  30  -1.206   0.218   4.155
  250    H    SER  31           H        SER  31   3.970   4.172   3.507
  251    HA   SER  31           HA       SER  31   5.786   5.044   1.604
  252   1HB   SER  31          2HB       SER  31   5.934   5.803   4.527
  253   2HB   SER  31          1HB       SER  31   6.384   6.781   3.131
  254    HG   SER  31           HG       SER  31   4.143   6.745   2.536
  255    HA   PRO  32           HA       PRO  32   9.593   3.016   2.450
  256   1HB   PRO  32          2HB       PRO  32  11.192   5.417   2.226
  257   2HB   PRO  32          1HB       PRO  32  10.994   4.114   1.055
  258   1HG   PRO  32          2HG       PRO  32  10.027   6.651   0.701
  259   2HG   PRO  32          1HG       PRO  32   9.343   5.212  -0.071
  260   1HD   PRO  32          2HD       PRO  32   8.372   6.733   2.308
  261   2HD   PRO  32          1HD       PRO  32   7.444   5.941   1.017
  262    H    PHE  33           H        PHE  33   8.632   5.611   4.424
  263    HA   PHE  33           HA       PHE  33  10.822   5.645   6.226
  264   1HB   PHE  33          2HB       PHE  33   8.070   6.279   7.168
  265   2HB   PHE  33          1HB       PHE  33   9.580   7.138   7.451
  266    HD1  PHE  33           1HD      PHE  33   6.765   8.155   6.546
  267    HD2  PHE  33           2HD      PHE  33  10.395   7.291   4.500
  268    HE1  PHE  33           1HE      PHE  33   6.158   9.772   4.795
  269    HE2  PHE  33           2HE      PHE  33   9.795   8.909   2.746
  270    HZ   PHE  33           HZ       PHE  33   7.674  10.152   2.893
  271    H    ALA  34           H        ALA  34   8.209   3.495   5.714
  272    HA   ALA  34           HA       ALA  34   8.668   2.206   8.318
  273   1HB   ALA  34          1HB       ALA  34   6.307   2.060   6.453
  274   2HB   ALA  34          2HB       ALA  34   6.372   2.842   8.033
  275   3HB   ALA  34          3HB       ALA  34   6.485   1.085   7.912
  276    H    PHE  35           H        PHE  35  10.533   1.841   6.302
  277    HA   PHE  35           HA       PHE  35  10.579  -1.007   6.125
  278   1HB   PHE  35          2HB       PHE  35  10.230   0.569   3.566
  279   2HB   PHE  35          1HB       PHE  35  10.715  -1.121   3.636
  280    HD1  PHE  35           1HD      PHE  35   7.996   1.113   3.410
  281    HD2  PHE  35           2HD      PHE  35   9.104  -2.720   4.889
  282    HE1  PHE  35           1HE      PHE  35   5.628   0.445   3.440
  283    HE2  PHE  35           2HE      PHE  35   6.739  -3.395   4.920
  284    HZ   PHE  35           HZ       PHE  35   4.998  -1.811   4.196
  285    H    SER  36           H        SER  36  11.895   2.076   5.060
  286    HA   SER  36           HA       SER  36  14.526   1.355   5.881
  287   1HB   SER  36          2HB       SER  36  13.934   1.513   2.921
  288   2HB   SER  36          1HB       SER  36  15.558   1.674   3.589
  289    HG   SER  36           HG       SER  36  14.714  -0.460   4.699
  Start of MODEL   19
    1   1H    GLU   1          1HT       GLU   1  -7.165 -11.422  -5.990
    2   2H    GLU   1          2HT       GLU   1  -5.704 -11.770  -6.820
    3   3H    GLU   1          3HT       GLU   1  -6.810 -10.628  -7.467
    4    HA   GLU   1           HA       GLU   1  -6.478  -9.304  -5.427
    5   1HB   GLU   1          2HB       GLU   1  -5.586 -10.942  -3.959
    6   2HB   GLU   1          1HB       GLU   1  -4.358 -11.424  -5.121
    7   1HG   GLU   1          2HG       GLU   1  -2.985 -10.149  -3.925
    8   2HG   GLU   1          1HG       GLU   1  -3.765  -8.788  -4.729
    9    H    LEU   2           H        LEU   2  -5.927  -7.508  -6.458
   10    HA   LEU   2           HA       LEU   2  -3.681  -7.590  -8.355
   11   1HB   LEU   2          2HB       LEU   2  -5.855  -5.507  -8.146
   12   2HB   LEU   2          1HB       LEU   2  -4.649  -5.644  -9.412
   13    HG   LEU   2           HG       LEU   2  -6.610  -7.862  -8.924
   14   1HD1  LEU   2          1HD1      LEU   2  -8.231  -6.348  -9.344
   15   2HD1  LEU   2          2HD1      LEU   2  -7.714  -6.595 -11.013
   16   3HD1  LEU   2          3HD1      LEU   2  -7.121  -5.205 -10.103
   17   1HD2  LEU   2          1HD2      LEU   2  -5.637  -8.775 -10.696
   18   2HD2  LEU   2          2HD2      LEU   2  -4.442  -7.478 -10.655
   19   3HD2  LEU   2          3HD2      LEU   2  -5.890  -7.312 -11.648
   20    HA   PRO   3           HA       PRO   3  -1.081  -5.133  -5.810
   21   1HB   PRO   3          2HB       PRO   3  -0.064  -3.409  -7.733
   22   2HB   PRO   3          1HB       PRO   3   0.549  -5.029  -7.388
   23   1HG   PRO   3          2HG       PRO   3  -1.309  -4.126  -9.544
   24   2HG   PRO   3          1HG       PRO   3  -0.001  -5.323  -9.615
   25   1HD   PRO   3          2HD       PRO   3  -2.571  -6.070  -9.475
   26   2HD   PRO   3          1HD       PRO   3  -1.298  -6.980  -8.634
   27    H    LYS   4           H        LYS   4  -2.459  -3.983  -4.501
   28    HA   LYS   4           HA       LYS   4  -4.143  -1.892  -5.273
   29   1HB   LYS   4          2HB       LYS   4  -4.218  -1.296  -2.908
   30   2HB   LYS   4          1HB       LYS   4  -4.307  -3.041  -3.106
   31   1HG   LYS   4          2HG       LYS   4  -1.572  -2.239  -2.822
   32   2HG   LYS   4          1HG       LYS   4  -2.539  -1.579  -1.501
   33   1HD   LYS   4          2HD       LYS   4  -2.152  -3.604  -0.577
   34   2HD   LYS   4          1HD       LYS   4  -3.515  -4.084  -1.587
   35   1HE   LYS   4          2HE       LYS   4  -2.202  -5.214  -3.068
   36   2HE   LYS   4          1HE       LYS   4  -0.814  -4.158  -2.809
   37   1HZ   LYS   4          1HZ       LYS   4  -1.705  -5.955  -0.655
   38   2HZ   LYS   4          2HZ       LYS   4  -0.165  -5.323  -0.951
   39   3HZ   LYS   4          3HZ       LYS   4  -0.767  -6.569  -1.923
   40    H    LEU   5           H        LEU   5  -3.923   0.353  -5.233
   41    HA   LEU   5           HA       LEU   5  -1.279   1.472  -4.753
   42   1HB   LEU   5          2HB       LEU   5  -2.031   2.754  -7.078
   43   2HB   LEU   5          1HB       LEU   5  -0.782   1.531  -6.920
   44    HG   LEU   5           HG       LEU   5  -2.680  -0.170  -7.316
   45   1HD1  LEU   5          1HD1      LEU   5  -4.532   1.388  -7.018
   46   2HD1  LEU   5          2HD1      LEU   5  -4.552   0.676  -8.632
   47   3HD1  LEU   5          3HD1      LEU   5  -3.973   2.326  -8.403
   48   1HD2  LEU   5          1HD2      LEU   5  -1.751   1.671  -9.516
   49   2HD2  LEU   5          2HD2      LEU   5  -2.444   0.066  -9.750
   50   3HD2  LEU   5          3HD2      LEU   5  -0.902   0.247  -8.914
   51    HA   PRO   6           HA       PRO   6  -5.049   4.336  -4.018
   52   1HB   PRO   6          2HB       PRO   6  -5.725   3.817  -1.458
   53   2HB   PRO   6          1HB       PRO   6  -6.449   2.946  -2.815
   54   1HG   PRO   6          2HG       PRO   6  -4.248   2.100  -0.978
   55   2HG   PRO   6          1HG       PRO   6  -5.610   1.155  -1.601
   56   1HD   PRO   6          2HD       PRO   6  -3.091   1.014  -2.639
   57   2HD   PRO   6          1HD       PRO   6  -4.560   0.710  -3.582
   58    H    ASP   7           H        ASP   7  -5.089   6.096  -2.275
   59    HA   ASP   7           HA       ASP   7  -2.894   6.392  -0.524
   60   1HB   ASP   7          2HB       ASP   7  -1.603   8.079  -1.705
   61   2HB   ASP   7          1HB       ASP   7  -1.666   6.602  -2.657
   62    H    ASP   8           H        ASP   8  -5.100   8.208  -2.623
   63    HA   ASP   8           HA       ASP   8  -5.843   9.816  -0.274
   64   1HB   ASP   8          2HB       ASP   8  -6.110  11.773  -1.705
   65   2HB   ASP   8          1HB       ASP   8  -4.466  11.154  -1.821
   66    H    LYS   9           H        LYS   9  -7.172   7.481  -1.005
   67    HA   LYS   9           HA       LYS   9  -9.751   8.572  -1.900
   68   1HB   LYS   9          2HB       LYS   9  -9.717   5.838  -2.573
   69   2HB   LYS   9          1HB       LYS   9  -9.737   7.212  -3.670
   70   1HG   LYS   9          2HG       LYS   9  -7.231   7.256  -3.500
   71   2HG   LYS   9          1HG       LYS   9  -7.339   5.723  -2.633
   72   1HD   LYS   9          2HD       LYS   9  -6.905   5.240  -4.930
   73   2HD   LYS   9          1HD       LYS   9  -8.577   4.792  -4.591
   74   1HE   LYS   9          2HE       LYS   9  -8.866   7.374  -5.388
   75   2HE   LYS   9          1HE       LYS   9  -7.492   6.863  -6.368
   76   1HZ   LYS   9          1HZ       LYS   9  -8.949   5.925  -7.726
   77   2HZ   LYS   9          2HZ       LYS   9 -10.237   6.218  -6.668
   78   3HZ   LYS   9          3HZ       LYS   9  -9.319   4.806  -6.511
   79    H    VAL  10           H        VAL  10  -8.424   5.565  -0.549
   80    HA   VAL  10           HA       VAL  10 -10.355   5.758   1.658
   81    HB   VAL  10           HB       VAL  10  -9.728   3.279   0.054
   82   1HG1  VAL  10          1HG1      VAL  10 -10.093   2.215   1.987
   83   2HG1  VAL  10          2HG1      VAL  10 -11.787   2.640   1.735
   84   3HG1  VAL  10          3HG1      VAL  10 -10.766   3.652   2.757
   85   1HG2  VAL  10          1HG2      VAL  10 -11.642   3.591  -1.057
   86   2HG2  VAL  10          2HG2      VAL  10 -11.578   5.250  -0.462
   87   3HG2  VAL  10          3HG2      VAL  10 -12.518   4.036   0.407
   88    H    LEU  11           H        LEU  11  -7.357   4.413   0.419
   89    HA   LEU  11           HA       LEU  11  -5.631   3.321   1.486
   90   1HB   LEU  11          2HB       LEU  11  -4.438   4.876   2.974
   91   2HB   LEU  11          1HB       LEU  11  -4.965   5.624   1.479
   92    HG   LEU  11           HG       LEU  11  -7.027   6.101   3.328
   93   1HD1  LEU  11          1HD1      LEU  11  -5.867   7.217   5.159
   94   2HD1  LEU  11          2HD1      LEU  11  -4.318   6.666   4.521
   95   3HD1  LEU  11          3HD1      LEU  11  -5.491   5.495   5.124
   96   1HD2  LEU  11          1HD2      LEU  11  -5.059   8.237   2.910
   97   2HD2  LEU  11          2HD2      LEU  11  -6.788   8.200   2.564
   98   3HD2  LEU  11          3HD2      LEU  11  -5.647   7.470   1.435
   99    H    ILE  12           H        ILE  12  -6.305   1.512   2.510
  100    HA   ILE  12           HA       ILE  12  -7.075   1.755   5.342
  101    HB   ILE  12           HB       ILE  12  -7.467  -0.914   4.493
  102   1HG1  ILE  12          2HG1      ILE  12  -9.501   0.382   2.919
  103   2HG1  ILE  12          1HG1      ILE  12  -7.912   0.765   2.276
  104   1HG2  ILE  12          1HG2      ILE  12  -9.023   1.274   5.655
  105   2HG2  ILE  12          2HG2      ILE  12  -8.836  -0.402   6.169
  106   3HG2  ILE  12          3HG2      ILE  12  -9.957   0.002   4.870
  107   1HD1  ILE  12          1HD1      ILE  12  -9.106  -1.951   2.706
  108   2HD1  ILE  12          2HD1      ILE  12  -7.407  -1.686   2.314
  109   3HD1  ILE  12          3HD1      ILE  12  -8.663  -1.189   1.179
  110    H    ARG  13           H        ARG  13  -5.937   0.651   6.865
  111    HA   ARG  13           HA       ARG  13  -3.324  -0.308   6.121
  112   1HB   ARG  13          2HB       ARG  13  -4.681   0.509   8.552
  113   2HB   ARG  13          1HB       ARG  13  -3.802  -0.994   8.791
  114   1HG   ARG  13          2HG       ARG  13  -1.930   0.159   9.022
  115   2HG   ARG  13          1HG       ARG  13  -2.099   0.750   7.366
  116   1HD   ARG  13          2HD       ARG  13  -1.893   2.570   9.027
  117   2HD   ARG  13          1HD       ARG  13  -3.404   2.628   8.121
  118    HE   ARG  13           HE       ARG  13  -3.923   1.191  10.426
  119   1HH1  ARG  13          1HH1      ARG  13  -2.891   4.409   9.590
  120   2HH1  ARG  13          2HH1      ARG  13  -3.599   5.139  10.992
  121   1HH2  ARG  13          1HH2      ARG  13  -4.857   2.141  12.275
  122   2HH2  ARG  13          2HH2      ARG  13  -4.719   3.850  12.517
  123    H    SER  14           H        SER  14  -6.426  -1.580   6.461
  124    HA   SER  14           HA       SER  14  -6.657  -3.952   7.402
  125   1HB   SER  14          2HB       SER  14  -7.084  -3.314   4.493
  126   2HB   SER  14          1HB       SER  14  -7.637  -4.813   5.236
  127    HG   SER  14           HG       SER  14  -8.368  -2.650   6.695
  128    H    ARG  15           H        ARG  15  -5.547  -4.370   4.145
  129    HA   ARG  15           HA       ARG  15  -2.995  -5.368   4.602
  130   1HB   ARG  15          2HB       ARG  15  -3.638  -7.871   4.206
  131   2HB   ARG  15          1HB       ARG  15  -3.673  -7.206   5.832
  132   1HG   ARG  15          2HG       ARG  15  -5.854  -7.575   6.044
  133   2HG   ARG  15          1HG       ARG  15  -6.209  -6.892   4.455
  134   1HD   ARG  15          2HD       ARG  15  -5.333  -9.062   3.483
  135   2HD   ARG  15          1HD       ARG  15  -5.363  -9.701   5.125
  136    HE   ARG  15           HE       ARG  15  -7.620  -9.216   3.405
  137   1HH1  ARG  15          1HH1      ARG  15  -6.539  -9.598   6.693
  138   2HH1  ARG  15          2HH1      ARG  15  -8.087 -10.109   7.280
  139   1HH2  ARG  15          1HH2      ARG  15  -9.663  -9.891   4.167
  140   2HH2  ARG  15          2HH2      ARG  15  -9.862 -10.276   5.844
  141    H    SER  16           H        SER  16  -4.442  -3.858   2.756
  142    HA   SER  16           HA       SER  16  -3.374  -4.821   0.332
  143   1HB   SER  16          2HB       SER  16  -6.291  -4.782  -0.064
  144   2HB   SER  16          1HB       SER  16  -5.076  -5.865  -0.740
  145    HG   SER  16           HG       SER  16  -6.689  -6.723   0.859
  146    H    ASN  17           H        ASN  17  -3.143  -2.428   1.582
  147    HA   ASN  17           HA       ASN  17  -4.176  -0.643  -0.427
  148   1HB   ASN  17          2HB       ASN  17  -5.607  -0.972   2.001
  149   2HB   ASN  17          1HB       ASN  17  -4.838   0.610   2.043
  150   1HD2  ASN  17          1HD2      ASN  17  -6.403  -1.398  -0.433
  151   2HD2  ASN  17          2HD2      ASN  17  -7.457  -0.160  -1.015
  152    H    CYS  18           H        CYS  18  -2.815   0.979  -0.790
  153    HA   CYS  18           HA       CYS  18  -0.575   1.342   1.064
  154   1HB   CYS  18          2HB       CYS  18  -0.403   2.714  -1.520
  155   2HB   CYS  18          1HB       CYS  18   0.748   1.645  -0.742
  156    HA   PRO  19           HA       PRO  19  -2.424   5.159   2.366
  157   1HB   PRO  19          2HB       PRO  19  -0.218   6.202   3.602
  158   2HB   PRO  19          1HB       PRO  19  -1.273   4.986   4.329
  159   1HG   PRO  19          2HG       PRO  19   1.356   4.637   2.952
  160   2HG   PRO  19          1HG       PRO  19   0.739   3.848   4.415
  161   1HD   PRO  19          2HD       PRO  19   0.752   2.621   2.011
  162   2HD   PRO  19          1HD       PRO  19  -0.515   2.326   3.218
  163    H    LYS  20           H        LYS  20  -1.077   7.538   2.628
  164    HA   LYS  20           HA       LYS  20  -0.911   8.408  -0.095
  165   1HB   LYS  20          2HB       LYS  20  -0.434  10.641   0.946
  166   2HB   LYS  20          1HB       LYS  20  -1.941   9.893   1.461
  167   1HG   LYS  20          2HG       LYS  20  -0.910   9.167   3.523
  168   2HG   LYS  20          1HG       LYS  20   0.640   9.833   3.004
  169   1HD   LYS  20          2HD       LYS  20  -1.788  11.583   3.146
  170   2HD   LYS  20          1HD       LYS  20  -0.872  11.211   4.610
  171   1HE   LYS  20          2HE       LYS  20   0.816  12.567   4.030
  172   2HE   LYS  20          1HE       LYS  20   0.803  12.014   2.356
  173   1HZ   LYS  20          1HZ       LYS  20  -1.332  13.796   3.316
  174   2HZ   LYS  20          2HZ       LYS  20  -0.721  13.607   1.751
  175   3HZ   LYS  20          3HZ       LYS  20   0.176  14.448   2.912
  176    H    GLY  21           H        GLY  21   0.864   9.237  -1.186
  177   1HA   GLY  21          2HA       GLY  21   3.066   9.014  -1.886
  178   2HA   GLY  21          1HA       GLY  21   3.367   9.849  -0.366
  179    H    LYS  22           H        LYS  22   2.070   6.610  -0.757
  180    HA   LYS  22           HA       LYS  22   4.265   5.572   0.855
  181   1HB   LYS  22          2HB       LYS  22   2.801   3.975   1.601
  182   2HB   LYS  22          1HB       LYS  22   1.665   5.247   1.204
  183   1HG   LYS  22          2HG       LYS  22   2.229   2.693  -0.217
  184   2HG   LYS  22          1HG       LYS  22   0.698   3.366   0.325
  185   1HD   LYS  22          2HD       LYS  22   0.365   4.388  -1.624
  186   2HD   LYS  22          1HD       LYS  22   1.978   5.085  -1.614
  187   1HE   LYS  22          2HE       LYS  22   2.393   2.391  -2.121
  188   2HE   LYS  22          1HE       LYS  22   0.968   2.808  -3.072
  189   1HZ   LYS  22          1HZ       LYS  22   3.669   3.995  -3.211
  190   2HZ   LYS  22          2HZ       LYS  22   2.321   4.774  -3.866
  191   3HZ   LYS  22          3HZ       LYS  22   2.784   3.255  -4.445
  192    H    VAL  23           H        VAL  23   4.410   2.995   0.208
  193    HA   VAL  23           HA       VAL  23   4.568   2.475  -2.577
  194    HB   VAL  23           HB       VAL  23   7.152   1.918  -2.063
  195   1HG1  VAL  23          1HG1      VAL  23   7.504   4.268  -3.219
  196   2HG1  VAL  23          2HG1      VAL  23   5.749   4.185  -3.368
  197   3HG1  VAL  23          3HG1      VAL  23   6.756   2.922  -4.078
  198   1HG2  VAL  23          1HG2      VAL  23   8.223   3.769  -0.970
  199   2HG2  VAL  23          2HG2      VAL  23   7.026   3.072   0.123
  200   3HG2  VAL  23          3HG2      VAL  23   6.672   4.573  -0.734
  201    H    TRP  24           H        TRP  24   4.725   0.246  -2.945
  202    HA   TRP  24           HA       TRP  24   4.260  -1.393  -0.676
  203   1HB   TRP  24          2HB       TRP  24   3.096  -2.030  -2.580
  204   2HB   TRP  24          1HB       TRP  24   4.508  -1.854  -3.583
  205    HD1  TRP  24           HD       TRP  24   6.014  -3.964  -3.952
  206    HE1  TRP  24           1HE      TRP  24   5.743  -6.444  -3.355
  207    HE3  TRP  24           3HE      TRP  24   2.234  -3.539  -0.574
  208    HZ2  TRP  24           2HZ      TRP  24   4.117  -8.019  -1.673
  209    HZ3  TRP  24           3HZ      TRP  24   1.393  -5.586   0.499
  210    HH2  TRP  24           HH       TRP  24   2.302  -7.772  -0.041
  211    H    ASN  25           H        ASN  25   5.386  -3.400  -0.333
  212    HA   ASN  25           HA       ASN  25   8.267  -3.339  -0.817
  213   1HB   ASN  25          2HB       ASN  25   8.624  -2.532   1.265
  214   2HB   ASN  25          1HB       ASN  25   6.952  -2.792   1.737
  215   1HD2  ASN  25          1HD2      ASN  25   9.961  -3.495   2.591
  216   2HD2  ASN  25          2HD2      ASN  25   9.741  -5.042   3.324
  217    H    GLY  26           H        GLY  26   9.182  -5.496   0.242
  218   1HA   GLY  26          2HA       GLY  26   8.520  -7.657  -1.118
  219   2HA   GLY  26          1HA       GLY  26   8.976  -7.795   0.569
  220    H    PHE  27           H        PHE  27   6.474  -6.470   1.539
  221    HA   PHE  27           HA       PHE  27   4.312  -8.053   0.572
  222   1HB   PHE  27          2HB       PHE  27   5.428  -8.705   3.299
  223   2HB   PHE  27          1HB       PHE  27   3.937  -9.350   2.621
  224    HD1  PHE  27           1HD      PHE  27   7.596  -9.395   2.424
  225    HD2  PHE  27           2HD      PHE  27   3.971 -11.095   0.984
  226    HE1  PHE  27           1HE      PHE  27   8.869 -11.240   1.411
  227    HE2  PHE  27           2HE      PHE  27   5.239 -12.947  -0.031
  228    HZ   PHE  27           HZ       PHE  27   7.690 -13.019   0.182
  229    H    ASP  28           H        ASP  28   4.526  -5.273   0.859
  230    HA   ASP  28           HA       ASP  28   2.198  -4.746   2.430
  231   1HB   ASP  28          2HB       ASP  28   4.859  -4.111   3.605
  232   2HB   ASP  28          1HB       ASP  28   3.496  -3.042   3.916
  233    H    CYS  29           H        CYS  29   1.296  -2.743   2.027
  234    HA   CYS  29           HA       CYS  29   2.674  -1.139  -0.004
  235   1HB   CYS  29          2HB       CYS  29  -0.009  -2.025   0.298
  236   2HB   CYS  29          1HB       CYS  29   0.005  -0.271   0.409
  237    H    LYS  30           H        LYS  30   3.993   0.180   1.216
  238    HA   LYS  30           HA       LYS  30   2.726   2.378   2.566
  239   1HB   LYS  30          2HB       LYS  30   3.584   0.102   4.068
  240   2HB   LYS  30          1HB       LYS  30   4.560   1.492   4.513
  241   1HG   LYS  30          2HG       LYS  30   2.906   1.993   5.898
  242   2HG   LYS  30          1HG       LYS  30   2.074   2.567   4.459
  243   1HD   LYS  30          2HD       LYS  30   0.834   0.967   6.058
  244   2HD   LYS  30          1HD       LYS  30   0.730   0.679   4.326
  245   1HE   LYS  30          2HE       LYS  30   1.840  -1.277   4.462
  246   2HE   LYS  30          1HE       LYS  30   2.985  -0.654   5.649
  247   1HZ   LYS  30          1HZ       LYS  30   1.570  -2.428   6.537
  248   2HZ   LYS  30          2HZ       LYS  30   0.198  -1.478   6.258
  249   3HZ   LYS  30          3HZ       LYS  30   1.362  -0.973   7.377
  250    H    SER  31           H        SER  31   4.030   4.186   2.724
  251    HA   SER  31           HA       SER  31   6.047   4.682   1.028
  252   1HB   SER  31          2HB       SER  31   6.754   6.105   3.388
  253   2HB   SER  31          1HB       SER  31   5.850   6.692   1.991
  254    HG   SER  31           HG       SER  31   4.786   6.775   4.137
  255    HA   PRO  32           HA       PRO  32   9.762   2.774   2.397
  256   1HB   PRO  32          2HB       PRO  32  11.680   4.569   1.834
  257   2HB   PRO  32          1HB       PRO  32  10.741   3.779   0.562
  258   1HG   PRO  32          2HG       PRO  32  10.450   6.520   1.709
  259   2HG   PRO  32          1HG       PRO  32  10.292   5.983   0.028
  260   1HD   PRO  32          2HD       PRO  32   8.173   6.460   1.735
  261   2HD   PRO  32          1HD       PRO  32   8.099   5.423   0.300
  262    H    PHE  33           H        PHE  33   8.974   5.799   3.837
  263    HA   PHE  33           HA       PHE  33  11.029   5.812   5.805
  264   1HB   PHE  33          2HB       PHE  33   8.389   7.086   6.313
  265   2HB   PHE  33          1HB       PHE  33  10.008   7.704   6.614
  266    HD1  PHE  33           1HD      PHE  33  11.420   8.185   4.448
  267    HD2  PHE  33           2HD      PHE  33   7.173   7.965   4.582
  268    HE1  PHE  33           1HE      PHE  33  11.289   9.521   2.387
  269    HE2  PHE  33           2HE      PHE  33   7.034   9.298   2.521
  270    HZ   PHE  33           HZ       PHE  33   9.094  10.079   1.419
  271    H    ALA  34           H        ALA  34   8.444   3.780   5.324
  272    HA   ALA  34           HA       ALA  34   8.389   3.031   8.166
  273   1HB   ALA  34          1HB       ALA  34   6.153   3.072   8.247
  274   2HB   ALA  34          2HB       ALA  34   5.992   2.331   6.654
  275   3HB   ALA  34          3HB       ALA  34   6.261   4.068   6.794
  276    H    PHE  35           H        PHE  35  10.235   1.898   6.519
  277    HA   PHE  35           HA       PHE  35   9.418  -0.870   6.583
  278   1HB   PHE  35          2HB       PHE  35   9.977   0.553   3.999
  279   2HB   PHE  35          1HB       PHE  35  10.412  -1.144   4.170
  280    HD1  PHE  35           1HD      PHE  35   8.077  -1.952   5.941
  281    HD2  PHE  35           2HD      PHE  35   8.300   0.348   2.367
  282    HE1  PHE  35           1HE      PHE  35   5.773  -2.601   5.386
  283    HE2  PHE  35           2HE      PHE  35   5.993  -0.296   1.805
  284    HZ   PHE  35           HZ       PHE  35   4.727  -1.772   3.316
  285    H    SER  36           H        SER  36  11.172   0.220   8.240
  286    HA   SER  36           HA       SER  36  13.295   0.122   9.053
  287   1HB   SER  36          2HB       SER  36  13.088  -2.250   7.252
  288   2HB   SER  36          1HB       SER  36  14.674  -1.834   7.900
  289    HG   SER  36           HG       SER  36  14.020  -2.845   9.616
  Start of MODEL   20
    1   1H    GLU   1          1HT       GLU   1  -8.242  -8.106  -5.623
    2   2H    GLU   1          2HT       GLU   1  -8.536  -7.909  -3.943
    3   3H    GLU   1          3HT       GLU   1  -7.179  -8.814  -4.479
    4    HA   GLU   1           HA       GLU   1  -6.871  -6.441  -5.703
    5   1HB   GLU   1          2HB       GLU   1  -7.087  -4.825  -3.809
    6   2HB   GLU   1          1HB       GLU   1  -8.627  -5.435  -4.397
    7   1HG   GLU   1          2HG       GLU   1  -7.796  -7.167  -2.339
    8   2HG   GLU   1          1HG       GLU   1  -7.545  -5.519  -1.765
    9    H    LEU   2           H        LEU   2  -5.108  -8.183  -5.643
   10    HA   LEU   2           HA       LEU   2  -3.488  -8.269  -3.262
   11   1HB   LEU   2          2HB       LEU   2  -3.727 -10.187  -4.843
   12   2HB   LEU   2          1HB       LEU   2  -2.827  -9.265  -6.028
   13    HG   LEU   2           HG       LEU   2  -1.199  -9.246  -3.768
   14   1HD1  LEU   2          1HD1      LEU   2  -1.000 -11.815  -3.509
   15   2HD1  LEU   2          2HD1      LEU   2  -2.678 -11.828  -4.056
   16   3HD1  LEU   2          3HD1      LEU   2  -2.234 -10.949  -2.593
   17   1HD2  LEU   2          1HD2      LEU   2   0.127 -10.908  -5.169
   18   2HD2  LEU   2          2HD2      LEU   2  -0.269  -9.364  -5.922
   19   3HD2  LEU   2          3HD2      LEU   2  -1.194 -10.808  -6.334
   20    HA   PRO   3           HA       PRO   3  -0.725  -5.411  -5.845
   21   1HB   PRO   3          2HB       PRO   3  -1.427  -4.663  -8.289
   22   2HB   PRO   3          1HB       PRO   3  -0.844  -6.305  -7.993
   23   1HG   PRO   3          2HG       PRO   3  -3.628  -5.335  -8.432
   24   2HG   PRO   3          1HG       PRO   3  -2.868  -6.846  -8.961
   25   1HD   PRO   3          2HD       PRO   3  -4.505  -6.493  -6.692
   26   2HD   PRO   3          1HD       PRO   3  -3.504  -7.908  -7.060
   27    H    LYS   4           H        LYS   4  -2.200  -4.340  -4.021
   28    HA   LYS   4           HA       LYS   4  -3.973  -2.275  -4.865
   29   1HB   LYS   4          2HB       LYS   4  -4.194  -1.726  -2.587
   30   2HB   LYS   4          1HB       LYS   4  -3.968  -3.469  -2.619
   31   1HG   LYS   4          2HG       LYS   4  -1.421  -2.195  -2.401
   32   2HG   LYS   4          1HG       LYS   4  -2.507  -1.554  -1.170
   33   1HD   LYS   4          2HD       LYS   4  -2.171  -3.388   0.035
   34   2HD   LYS   4          1HD       LYS   4  -2.909  -4.345  -1.252
   35   1HE   LYS   4          2HE       LYS   4  -0.474  -4.031  -2.303
   36   2HE   LYS   4          1HE       LYS   4  -0.053  -3.911  -0.595
   37   1HZ   LYS   4          1HZ       LYS   4  -1.200  -6.046  -0.246
   38   2HZ   LYS   4          2HZ       LYS   4   0.112  -6.181  -1.305
   39   3HZ   LYS   4          3HZ       LYS   4  -1.465  -6.166  -1.914
   40    H    LEU   5           H        LEU   5  -3.655  -0.137  -5.126
   41    HA   LEU   5           HA       LEU   5  -1.083   1.049  -4.506
   42   1HB   LEU   5          2HB       LEU   5  -1.455   2.092  -6.983
   43   2HB   LEU   5          1HB       LEU   5  -0.380   0.757  -6.613
   44    HG   LEU   5           HG       LEU   5  -2.489  -0.719  -7.073
   45   1HD1  LEU   5          1HD1      LEU   5  -3.242   1.346  -9.036
   46   2HD1  LEU   5          2HD1      LEU   5  -3.732   1.641  -7.368
   47   3HD1  LEU   5          3HD1      LEU   5  -4.239   0.164  -8.187
   48   1HD2  LEU   5          1HD2      LEU   5  -1.432  -1.279  -8.958
   49   2HD2  LEU   5          2HD2      LEU   5  -0.272  -0.022  -8.526
   50   3HD2  LEU   5          3HD2      LEU   5  -1.593   0.339  -9.639
   51    HA   PRO   6           HA       PRO   6  -4.914   3.921  -4.517
   52   1HB   PRO   6          2HB       PRO   6  -6.031   3.574  -2.095
   53   2HB   PRO   6          1HB       PRO   6  -6.493   2.582  -3.483
   54   1HG   PRO   6          2HG       PRO   6  -4.663   1.931  -1.213
   55   2HG   PRO   6          1HG       PRO   6  -5.874   0.909  -2.007
   56   1HD   PRO   6          2HD       PRO   6  -3.188   0.786  -2.533
   57   2HD   PRO   6          1HD       PRO   6  -4.453   0.314  -3.677
   58    H    ASP   7           H        ASP   7  -5.414   5.565  -2.534
   59    HA   ASP   7           HA       ASP   7  -3.446   6.052  -0.628
   60   1HB   ASP   7          2HB       ASP   7  -1.903   7.471  -1.586
   61   2HB   ASP   7          1HB       ASP   7  -2.210   6.374  -2.922
   62    H    ASP   8           H        ASP   8  -5.333   7.882  -3.018
   63    HA   ASP   8           HA       ASP   8  -6.505   9.407  -0.784
   64   1HB   ASP   8          2HB       ASP   8  -5.305  10.291  -3.282
   65   2HB   ASP   8          1HB       ASP   8  -6.942  10.907  -3.086
   66    H    LYS   9           H        LYS   9  -7.368   6.866  -2.151
   67    HA   LYS   9           HA       LYS   9 -10.011   7.788  -3.067
   68   1HB   LYS   9          2HB       LYS   9  -9.392   5.037  -3.755
   69   2HB   LYS   9          1HB       LYS   9  -9.930   6.354  -4.786
   70   1HG   LYS   9          2HG       LYS   9  -7.388   7.102  -4.431
   71   2HG   LYS   9          1HG       LYS   9  -7.205   5.358  -4.241
   72   1HD   LYS   9          2HD       LYS   9  -8.849   6.271  -6.523
   73   2HD   LYS   9          1HD       LYS   9  -7.117   6.601  -6.619
   74   1HE   LYS   9          2HE       LYS   9  -7.516   3.930  -5.686
   75   2HE   LYS   9          1HE       LYS   9  -8.469   4.178  -7.148
   76   1HZ   LYS   9          1HZ       LYS   9  -6.223   5.263  -7.946
   77   2HZ   LYS   9          2HZ       LYS   9  -6.493   3.597  -8.067
   78   3HZ   LYS   9          3HZ       LYS   9  -5.568   4.212  -6.791
   79    H    VAL  10           H        VAL  10  -8.402   5.068  -1.449
   80    HA   VAL  10           HA       VAL  10 -10.695   4.877   0.369
   81    HB   VAL  10           HB       VAL  10  -9.375   2.564  -1.052
   82   1HG1  VAL  10          1HG1      VAL  10 -11.564   2.387   1.000
   83   2HG1  VAL  10          2HG1      VAL  10  -9.856   2.192   1.397
   84   3HG1  VAL  10          3HG1      VAL  10 -10.636   1.073   0.279
   85   1HG2  VAL  10          1HG2      VAL  10 -11.339   2.257  -2.212
   86   2HG2  VAL  10          2HG2      VAL  10 -11.269   4.016  -2.112
   87   3HG2  VAL  10          3HG2      VAL  10 -12.309   3.111  -1.011
   88    H    LEU  11           H        LEU  11  -7.355   3.975  -0.313
   89    HA   LEU  11           HA       LEU  11  -5.687   3.219   1.102
   90   1HB   LEU  11          2HB       LEU  11  -4.863   5.019   2.437
   91   2HB   LEU  11          1HB       LEU  11  -5.557   5.697   0.977
   92    HG   LEU  11           HG       LEU  11  -7.671   5.779   2.721
   93   1HD1  LEU  11          1HD1      LEU  11  -5.519   5.303   4.363
   94   2HD1  LEU  11          2HD1      LEU  11  -7.050   6.032   4.847
   95   3HD1  LEU  11          3HD1      LEU  11  -5.684   7.058   4.414
   96   1HD2  LEU  11          1HD2      LEU  11  -5.636   7.956   2.288
   97   2HD2  LEU  11          2HD2      LEU  11  -7.336   8.158   2.714
   98   3HD2  LEU  11          3HD2      LEU  11  -6.893   7.513   1.133
   99    H    ILE  12           H        ILE  12  -6.568   1.377   2.041
  100    HA   ILE  12           HA       ILE  12  -7.667   1.727   4.748
  101    HB   ILE  12           HB       ILE  12  -7.973  -0.973   3.904
  102   1HG1  ILE  12          2HG1      ILE  12  -9.804   0.454   2.140
  103   2HG1  ILE  12          1HG1      ILE  12  -8.129   0.621   1.635
  104   1HG2  ILE  12          1HG2      ILE  12  -9.427  -0.343   5.512
  105   2HG2  ILE  12          2HG2      ILE  12 -10.470  -0.172   4.099
  106   3HG2  ILE  12          3HG2      ILE  12  -9.701   1.250   4.808
  107   1HD1  ILE  12          1HD1      ILE  12  -8.014  -1.931   1.943
  108   2HD1  ILE  12          2HD1      ILE  12  -8.827  -1.273   0.522
  109   3HD1  ILE  12          3HD1      ILE  12  -9.775  -1.851   1.892
  110    H    ARG  13           H        ARG  13  -6.979   0.305   6.385
  111    HA   ARG  13           HA       ARG  13  -4.220  -0.578   6.063
  112   1HB   ARG  13          2HB       ARG  13  -5.823   0.420   8.230
  113   2HB   ARG  13          1HB       ARG  13  -5.187  -1.160   8.664
  114   1HG   ARG  13          2HG       ARG  13  -3.008   0.129   7.566
  115   2HG   ARG  13          1HG       ARG  13  -3.837   1.399   8.467
  116   1HD   ARG  13          2HD       ARG  13  -3.598  -1.176   9.867
  117   2HD   ARG  13          1HD       ARG  13  -2.071  -0.357   9.545
  118    HE   ARG  13           HE       ARG  13  -4.054   1.371  10.683
  119   1HH1  ARG  13          1HH1      ARG  13  -1.596  -0.993  11.398
  120   2HH1  ARG  13          2HH1      ARG  13  -1.330  -0.417  13.010
  121   1HH2  ARG  13          1HH2      ARG  13  -3.711   2.134  12.803
  122   2HH2  ARG  13          2HH2      ARG  13  -2.534   1.357  13.809
  123    H    SER  14           H        SER  14  -7.363  -1.772   5.941
  124    HA   SER  14           HA       SER  14  -7.777  -4.121   6.911
  125   1HB   SER  14          2HB       SER  14  -7.934  -3.292   4.054
  126   2HB   SER  14          1HB       SER  14  -8.281  -4.972   4.467
  127    HG   SER  14           HG       SER  14  -9.531  -2.712   5.647
  128    H    ARG  15           H        ARG  15  -6.239  -4.578   3.827
  129    HA   ARG  15           HA       ARG  15  -3.819  -5.677   4.678
  130   1HB   ARG  15          2HB       ARG  15  -4.303  -8.102   4.350
  131   2HB   ARG  15          1HB       ARG  15  -5.089  -7.413   5.765
  132   1HG   ARG  15          2HG       ARG  15  -7.023  -8.192   5.032
  133   2HG   ARG  15          1HG       ARG  15  -6.896  -7.132   3.626
  134   1HD   ARG  15          2HD       ARG  15  -7.184  -9.681   3.269
  135   2HD   ARG  15          1HD       ARG  15  -6.017  -8.799   2.285
  136    HE   ARG  15           HE       ARG  15  -4.306  -9.930   3.336
  137   1HH1  ARG  15          1HH1      ARG  15  -7.314 -10.520   4.988
  138   2HH1  ARG  15          2HH1      ARG  15  -6.676 -11.796   5.969
  139   1HH2  ARG  15          1HH2      ARG  15  -3.455 -11.612   4.622
  140   2HH2  ARG  15          2HH2      ARG  15  -4.482 -12.418   5.760
  141    H    SER  16           H        SER  16  -4.891  -4.073   2.633
  142    HA   SER  16           HA       SER  16  -3.431  -4.999   0.426
  143   1HB   SER  16          2HB       SER  16  -6.311  -5.746   0.457
  144   2HB   SER  16          1HB       SER  16  -5.635  -5.176  -1.069
  145    HG   SER  16           HG       SER  16  -4.567  -7.283   0.508
  146    H    ASN  17           H        ASN  17  -3.316  -2.599   1.530
  147    HA   ASN  17           HA       ASN  17  -4.184  -0.877  -0.608
  148   1HB   ASN  17          2HB       ASN  17  -5.736  -1.078   1.788
  149   2HB   ASN  17          1HB       ASN  17  -4.999   0.519   1.707
  150   1HD2  ASN  17          1HD2      ASN  17  -6.366  -1.734  -0.670
  151   2HD2  ASN  17          2HD2      ASN  17  -7.438  -0.587  -1.394
  152    H    CYS  18           H        CYS  18  -3.097   1.108  -0.665
  153    HA   CYS  18           HA       CYS  18  -0.871   1.337   1.248
  154   1HB   CYS  18          2HB       CYS  18  -0.414   2.693  -1.282
  155   2HB   CYS  18          1HB       CYS  18   0.598   1.544  -0.431
  156    HA   PRO  19           HA       PRO  19  -2.656   5.197   2.491
  157   1HB   PRO  19          2HB       PRO  19   0.160   5.869   3.158
  158   2HB   PRO  19          1HB       PRO  19  -1.278   5.897   4.183
  159   1HG   PRO  19          2HG       PRO  19   0.543   3.969   4.442
  160   2HG   PRO  19          1HG       PRO  19  -1.188   3.618   4.601
  161   1HD   PRO  19          2HD       PRO  19   0.652   3.085   2.307
  162   2HD   PRO  19          1HD       PRO  19  -0.670   2.089   2.947
  163    H    LYS  20           H        LYS  20  -0.795   7.486   2.547
  164    HA   LYS  20           HA       LYS  20  -1.134   8.338  -0.215
  165   1HB   LYS  20          2HB       LYS  20  -0.629  10.566   0.632
  166   2HB   LYS  20          1HB       LYS  20  -1.862   9.800   1.629
  167   1HG   LYS  20          2HG       LYS  20  -0.528   9.691   3.444
  168   2HG   LYS  20          1HG       LYS  20   0.934   9.436   2.489
  169   1HD   LYS  20          2HD       LYS  20   0.167  11.997   1.815
  170   2HD   LYS  20          1HD       LYS  20  -0.207  11.899   3.537
  171   1HE   LYS  20          2HE       LYS  20   1.982  12.564   3.635
  172   2HE   LYS  20          1HE       LYS  20   2.184  10.812   3.660
  173   1HZ   LYS  20          1HZ       LYS  20   3.583  12.236   2.041
  174   2HZ   LYS  20          2HZ       LYS  20   2.185  12.247   1.090
  175   3HZ   LYS  20          3HZ       LYS  20   2.918  10.778   1.495
  176    H    GLY  21           H        GLY  21   0.524   9.034  -1.556
  177   1HA   GLY  21          2HA       GLY  21   2.617   8.595  -2.511
  178   2HA   GLY  21          1HA       GLY  21   3.074   9.698  -1.220
  179    H    LYS  22           H        LYS  22   1.948   6.369  -1.070
  180    HA   LYS  22           HA       LYS  22   4.118   5.675   0.701
  181   1HB   LYS  22          2HB       LYS  22   2.822   3.350   0.425
  182   2HB   LYS  22          1HB       LYS  22   2.264   4.624   1.497
  183   1HG   LYS  22          2HG       LYS  22   0.477   3.637   0.124
  184   2HG   LYS  22          1HG       LYS  22   0.672   5.371  -0.127
  185   1HD   LYS  22          2HD       LYS  22   0.361   4.240  -2.256
  186   2HD   LYS  22          1HD       LYS  22   1.983   4.920  -2.155
  187   1HE   LYS  22          2HE       LYS  22   2.318   2.398  -1.130
  188   2HE   LYS  22          1HE       LYS  22   1.129   2.148  -2.407
  189   1HZ   LYS  22          1HZ       LYS  22   3.470   3.774  -3.024
  190   2HZ   LYS  22          2HZ       LYS  22   2.578   2.740  -4.016
  191   3HZ   LYS  22          3HZ       LYS  22   3.672   2.101  -2.901
  192    H    VAL  23           H        VAL  23   4.529   3.045   0.128
  193    HA   VAL  23           HA       VAL  23   5.355   2.612  -2.561
  194    HB   VAL  23           HB       VAL  23   7.740   2.177  -1.619
  195   1HG1  VAL  23          1HG1      VAL  23   7.534   5.042  -1.957
  196   2HG1  VAL  23          2HG1      VAL  23   6.545   4.171  -3.129
  197   3HG1  VAL  23          3HG1      VAL  23   8.273   3.839  -3.016
  198   1HG2  VAL  23          1HG2      VAL  23   7.369   2.697   0.670
  199   2HG2  VAL  23          2HG2      VAL  23   6.670   4.260   0.254
  200   3HG2  VAL  23          3HG2      VAL  23   8.388   3.969  -0.002
  201    H    TRP  24           H        TRP  24   4.808   0.476  -2.771
  202    HA   TRP  24           HA       TRP  24   4.481  -1.178  -0.525
  203   1HB   TRP  24          2HB       TRP  24   3.115  -1.735  -2.304
  204   2HB   TRP  24          1HB       TRP  24   4.428  -1.612  -3.447
  205    HD1  TRP  24           HD       TRP  24   5.828  -3.790  -3.945
  206    HE1  TRP  24           1HE      TRP  24   5.487  -6.265  -3.362
  207    HE3  TRP  24           3HE      TRP  24   2.330  -3.253  -0.307
  208    HZ2  TRP  24           2HZ      TRP  24   3.922  -7.793  -1.586
  209    HZ3  TRP  24           3HZ      TRP  24   1.474  -5.273   0.810
  210    HH2  TRP  24           HH       TRP  24   2.244  -7.490   0.180
  211    H    ASN  25           H        ASN  25   5.466  -3.289  -0.313
  212    HA   ASN  25           HA       ASN  25   8.283  -3.457  -1.058
  213   1HB   ASN  25          2HB       ASN  25   8.961  -2.701   0.951
  214   2HB   ASN  25          1HB       ASN  25   7.312  -2.673   1.557
  215   1HD2  ASN  25          1HD2      ASN  25  10.328  -4.062   1.852
  216   2HD2  ASN  25          2HD2      ASN  25   9.903  -5.413   2.842
  217    H    GLY  26           H        GLY  26   9.149  -5.638   0.020
  218   1HA   GLY  26          2HA       GLY  26   8.216  -7.781  -1.221
  219   2HA   GLY  26          1HA       GLY  26   8.822  -7.910   0.421
  220    H    PHE  27           H        PHE  27   6.535  -6.364   1.555
  221    HA   PHE  27           HA       PHE  27   4.169  -7.784   0.863
  222   1HB   PHE  27          2HB       PHE  27   5.840  -8.718   3.129
  223   2HB   PHE  27          1HB       PHE  27   4.096  -8.680   3.372
  224    HD1  PHE  27           1HD      PHE  27   6.508 -10.891   2.778
  225    HD2  PHE  27           2HD      PHE  27   2.967  -9.482   0.886
  226    HE1  PHE  27           1HE      PHE  27   6.293 -13.037   1.594
  227    HE2  PHE  27           2HE      PHE  27   2.741 -11.625  -0.299
  228    HZ   PHE  27           HZ       PHE  27   4.406 -13.407   0.053
  229    H    ASP  28           H        ASP  28   4.542  -5.047   0.972
  230    HA   ASP  28           HA       ASP  28   2.507  -4.303   2.836
  231   1HB   ASP  28          2HB       ASP  28   5.337  -3.856   3.597
  232   2HB   ASP  28          1HB       ASP  28   4.172  -2.587   3.952
  233    H    CYS  29           H        CYS  29   1.471  -2.601   2.056
  234    HA   CYS  29           HA       CYS  29   2.774  -0.976  -0.007
  235   1HB   CYS  29          2HB       CYS  29   0.232  -2.129   0.221
  236   2HB   CYS  29          1HB       CYS  29  -0.010  -0.401   0.444
  237    H    LYS  30           H        LYS  30   3.966   0.473   1.315
  238    HA   LYS  30           HA       LYS  30   2.470   2.719   2.227
  239   1HB   LYS  30          2HB       LYS  30   4.053   1.991   4.535
  240   2HB   LYS  30          1HB       LYS  30   2.382   2.517   4.442
  241   1HG   LYS  30          2HG       LYS  30   2.940  -0.255   3.631
  242   2HG   LYS  30          1HG       LYS  30   3.129   0.138   5.337
  243   1HD   LYS  30          2HD       LYS  30   0.911   0.452   5.653
  244   2HD   LYS  30          1HD       LYS  30   0.682   1.177   4.061
  245   1HE   LYS  30          2HE       LYS  30  -0.096  -0.748   3.264
  246   2HE   LYS  30          1HE       LYS  30   1.383  -1.577   3.748
  247   1HZ   LYS  30          1HZ       LYS  30  -0.505  -1.019   5.880
  248   2HZ   LYS  30          2HZ       LYS  30   0.421  -2.403   5.586
  249   3HZ   LYS  30          3HZ       LYS  30  -1.016  -2.154   4.733
  250    H    SER  31           H        SER  31   3.809   4.405   3.137
  251    HA   SER  31           HA       SER  31   5.818   5.223   1.575
  252   1HB   SER  31          2HB       SER  31   6.550   6.725   3.315
  253   2HB   SER  31          1HB       SER  31   4.803   6.531   3.469
  254    HG   SER  31           HG       SER  31   5.606   4.695   4.984
  255    HA   PRO  32           HA       PRO  32   9.381   2.744   2.314
  256   1HB   PRO  32          2HB       PRO  32  11.381   4.383   1.626
  257   2HB   PRO  32          1HB       PRO  32  10.193   3.839   0.435
  258   1HG   PRO  32          2HG       PRO  32  10.356   6.447   1.894
  259   2HG   PRO  32          1HG       PRO  32   9.969   6.139   0.191
  260   1HD   PRO  32          2HD       PRO  32   8.092   6.609   2.154
  261   2HD   PRO  32          1HD       PRO  32   7.767   5.730   0.649
  262    H    PHE  33           H        PHE  33   8.612   5.221   4.351
  263    HA   PHE  33           HA       PHE  33  11.046   5.215   5.911
  264   1HB   PHE  33          2HB       PHE  33   8.485   6.307   6.970
  265   2HB   PHE  33          1HB       PHE  33  10.120   6.949   7.105
  266    HD1  PHE  33           1HD      PHE  33  10.833   6.887   4.177
  267    HD2  PHE  33           2HD      PHE  33   7.346   8.214   6.222
  268    HE1  PHE  33           1HE      PHE  33  10.364   8.462   2.347
  269    HE2  PHE  33           2HE      PHE  33   6.868   9.791   4.396
  270    HZ   PHE  33           HZ       PHE  33   8.379   9.917   2.454
  271    H    ALA  34           H        ALA  34   8.134   3.437   5.703
  272    HA   ALA  34           HA       ALA  34   8.449   2.376   8.410
  273   1HB   ALA  34          1HB       ALA  34   6.237   1.784   6.457
  274   2HB   ALA  34          2HB       ALA  34   6.204   3.130   7.596
  275   3HB   ALA  34          3HB       ALA  34   6.251   1.470   8.192
  276    H    PHE  35           H        PHE  35  10.290   1.805   6.271
  277    HA   PHE  35           HA       PHE  35  10.544  -1.011   6.647
  278   1HB   PHE  35          2HB       PHE  35  10.124  -0.155   3.778
  279   2HB   PHE  35          1HB       PHE  35  10.280  -1.793   4.405
  280    HD1  PHE  35           1HD      PHE  35   8.431  -2.822   5.649
  281    HD2  PHE  35           2HD      PHE  35   8.049   1.003   3.825
  282    HE1  PHE  35           1HE      PHE  35   5.985  -2.976   5.849
  283    HE2  PHE  35           2HE      PHE  35   5.603   0.856   4.020
  284    HZ   PHE  35           HZ       PHE  35   4.566  -1.133   5.034
  285    H    SER  36           H        SER  36  12.021   1.545   6.923
  286    HA   SER  36           HA       SER  36  14.586   0.636   6.243
  287   1HB   SER  36          2HB       SER  36  15.196   1.868   4.348
  288   2HB   SER  36          1HB       SER  36  13.567   1.321   3.951
  289    HG   SER  36           HG       SER  36  13.852   3.551   3.522