*HEADER    DE NOVO PROTEIN                         18-APR-13   2RT4              
*TITLE     NMR STRUCTURE OF DESIGNED PROTEIN, AF.2A1, (ENSEMBLES)                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: AF.2A1;                                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED.               
*KEYWDS    ARTIFICIAL PROTEIN, CHIGNOLIN, DE NOVO PROTEIN                        
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    H.WATANABE, K.YAMASAKI, S.HONDA                                       
*REVDAT   1   01-JAN-14 2RT4    0                                                



!!Distance constraints
! NOEs
assign (resid   1 and name HA#  )(resid    2 and name HN   ) 2.5 1.0 1.0
assign (resid   1 and name HA#  )(resid    3 and name HG1# ) 3.5 1.5 1.0
assign (resid   2 and name HA   )(resid    3 and name HN   ) 2.0 0.5 0.8
assign (resid   2 and name HG#  )(resid    3 and name HA   ) 2.5 1.0 1.0
assign (resid   3 and name HG1# )(resid    4 and name HD#  ) 5.0 2.5 1.0
assign (resid   3 and name HB   )(resid    4 and name HA   ) 5.0 2.5 1.0
assign (resid   3 and name HB   )(resid    4 and name HN   ) 3.5 1.5 1.0
assign (resid   3 and name HB   )(resid    4 and name HG#  ) 3.5 1.5 1.0
assign (resid   3 and name HG2# )(resid    4 and name HA   ) 5.0 2.5 1.0
assign (resid   3 and name HG2# )(resid    4 and name HN   ) 3.5 1.5 1.0
assign (resid   3 and name HA   )(resid    4 and name HN   ) 2.0 0.5 0.8
assign (resid   3 and name HG2# )(resid    4 and name HB#  ) 3.5 1.5 1.0
assign (resid   3 and name HA   )(resid    4 and name HB#  ) 5.0 2.5 1.0
assign (resid   3 and name HN   )(resid   21 and name HB#  ) 5.0 2.5 1.0
assign (resid   4 and name HB#  )(resid    5 and name HG#  ) 5.0 2.5 1.0
assign (resid   4 and name HB#  )(resid    5 and name HN   ) 2.5 1.0 1.0
assign (resid   4 and name HD#  )(resid    5 and name HN   ) 5.0 2.5 1.0
assign (resid   4 and name HG#  )(resid    5 and name HN   ) 3.5 1.5 1.0
assign (resid   4 and name HE   )(resid    5 and name HN   ) 5.0 2.5 1.0
assign (resid   4 and name HA   )(resid    5 and name HN   ) 2.0 0.5 0.8
assign (resid   4 and name HA   )(resid    5 and name HB#  ) 3.5 1.5 1.0
assign (resid   4 and name HD#  )(resid   20 and name HG2# ) 5.0 2.5 1.0
assign (resid   4 and name HN   )(resid   20 and name HG2# ) 3.5 1.5 1.0
assign (resid   5 and name HG#  )(resid    6 and name HA   ) 5.0 2.5 1.0
assign (resid   5 and name HG#  )(resid    6 and name HD1  ) 5.0 2.5 1.0
assign (resid   5 and name HA   )(resid    6 and name HD1  ) 3.5 1.5 1.0
assign (resid   5 and name HA   )(resid    6 and name HB#  ) 5.0 2.5 1.0
assign (resid   5 and name HA   )(resid    6 and name HN   ) 2.5 1.0 1.0
assign (resid   5 and name HB#  )(resid    6 and name HD1  ) 5.0 2.5 1.0
assign (resid   5 and name HG#  )(resid    7 and name HN   ) 5.0 2.5 1.0
assign (resid   5 and name HB#  )(resid   16 and name HH2  ) 5.0 2.5 1.0
assign (resid   5 and name HB#  )(resid   16 and name HE3  ) 5.0 2.5 1.0
assign (resid   5 and name HA   )(resid   16 and name HZ3  ) 5.0 2.5 1.0
assign (resid   5 and name HB#  )(resid   20 and name HG1# ) 3.5 1.5 1.0
assign (resid   5 and name HA   )(resid   20 and name HG1# ) 3.5 1.5 1.0
assign (resid   5 and name HA   )(resid   20 and name HG2# ) 5.0 2.5 1.0
assign (resid   6 and name HD1  )(resid    7 and name HN   ) 3.5 1.5 1.0
assign (resid   6 and name HE3  )(resid    7 and name HA   ) 5.0 2.5 1.0
assign (resid   6 and name HA   )(resid    7 and name HB#  ) 5.0 2.5 1.0
assign (resid   6 and name HB#  )(resid    7 and name HA   ) 5.0 2.5 1.0
assign (resid   6 and name HD1  )(resid    7 and name HN   ) 3.5 1.5 1.0
assign (resid   6 and name HE1  )(resid    7 and name HN   ) 5.0 2.5 1.0
assign (resid   6 and name HN   )(resid    7 and name HB#  ) 5.0 2.5 1.0
assign (resid   6 and name HB#  )(resid    7 and name HN   ) 2.5 1.0 1.0
assign (resid   6 and name HZ3  )(resid    7 and name HB#  ) 5.0 2.5 1.0
assign (resid   6 and name HB#  )(resid    7 and name HN   ) 3.5 1.5 1.0
assign (resid   6 and name HN   )(resid    7 and name HN   ) 3.5 1.5 1.0
assign (resid   6 and name HE3  )(resid    7 and name HN   ) 3.5 1.5 1.0
assign (resid   6 and name HZ3  )(resid    8 and name HA#  ) 5.0 2.5 1.0
assign (resid   6 and name HD1  )(resid    8 and name HN   ) 5.0 2.5 1.0
assign (resid   6 and name HZ2  )(resid    8 and name HA#  ) 5.0 2.5 1.0
assign (resid   6 and name HB#  )(resid    8 and name HN   ) 5.0 2.5 1.0
assign (resid   6 and name HB#  )(resid    8 and name HN   ) 5.0 2.5 1.0
assign (resid   6 and name HD1  )(resid    8 and name HN   ) 5.0 2.5 1.0
assign (resid   6 and name HE1  )(resid    8 and name HA#  ) 5.0 2.5 1.0
assign (resid   6 and name HE1  )(resid   17 and name HB#  ) 5.0 2.5 1.0
assign (resid   6 and name HZ3  )(resid   17 and name HG#  ) 5.0 2.5 1.0
assign (resid   6 and name HE1  )(resid   19 and name HN   ) 5.0 2.5 1.0
assign (resid   6 and name HD1  )(resid   20 and name HG2# ) 5.0 2.5 1.0
assign (resid   6 and name HN   )(resid   20 and name HG2# ) 3.5 1.5 1.0
assign (resid   6 and name HE1  )(resid   20 and name HA   ) 5.0 2.5 1.0
assign (resid   6 and name HE1  )(resid   20 and name HN   ) 5.0 2.5 1.0
assign (resid   7 and name HN   )(resid    8 and name HN   ) 2.5 1.0 1.0
assign (resid   7 and name HA   )(resid    8 and name HA#  ) 5.0 2.5 1.0
assign (resid   8 and name HA#  )(resid    9 and name HB#  ) 5.0 2.5 1.0
assign (resid   8 and name HA#  )(resid    9 and name HB#  ) 5.0 2.5 1.0
assign (resid   8 and name HN   )(resid    9 and name HB#  ) 5.0 2.5 1.0
assign (resid   8 and name HA#  )(resid    9 and name HB#  ) 5.0 2.5 1.0
assign (resid   8 and name HA#  )(resid    9 and name HN   ) 3.5 1.5 1.0
assign (resid   8 and name HA#  )(resid    9 and name HN   ) 2.0 0.5 0.8
assign (resid   8 and name HA#  )(resid   16 and name HE3  ) 3.5 1.5 1.0
assign (resid   8 and name HN   )(resid   16 and name HZ3  ) 5.0 2.5 1.0
assign (resid   8 and name HA#  )(resid   16 and name HZ3  ) 5.0 2.5 1.0
assign (resid   8 and name HA#  )(resid   16 and name HZ3  ) 3.5 1.5 1.0
assign (resid   8 and name HN   )(resid   17 and name HG#  ) 5.0 2.5 1.0
assign (resid   8 and name HA#  )(resid   17 and name HN   ) 5.0 2.5 1.0
assign (resid   8 and name HA#  )(resid   17 and name HG#  ) 3.5 1.5 1.0
assign (resid   8 and name HN   )(resid   20 and name HG2# ) 5.0 2.5 1.0
assign (resid   9 and name HD#  )(resid   10 and name HN   ) 3.5 1.5 1.0
assign (resid   9 and name HE#  )(resid   10 and name HN   ) 5.0 2.5 1.0
assign (resid   9 and name HA   )(resid   10 and name HN   ) 2.0 0.5 0.8
assign (resid   9 and name HB#  )(resid   10 and name HN   ) 3.5 1.5 1.0
assign (resid   9 and name HA   )(resid   10 and name HB#  ) 5.0 2.5 1.0
assign (resid   9 and name HB#  )(resid   10 and name HN   ) 3.5 1.5 1.0
assign (resid   9 and name HD#  )(resid   10 and name HA   ) 5.0 2.5 1.0
assign (resid   9 and name HA   )(resid   10 and name HA   ) 5.0 2.5 1.0
assign (resid   9 and name HN   )(resid   10 and name HB#  ) 5.0 2.5 1.0
assign (resid   9 and name HD#  )(resid   11 and name HB#  ) 5.0 2.5 1.0
assign (resid   9 and name HD#  )(resid   11 and name HB#  ) 5.0 2.5 1.0
assign (resid   9 and name HE#  )(resid   11 and name HB#  ) 2.5 1.0 1.0
assign (resid   9 and name HB#  )(resid   11 and name HD#  ) 5.0 2.5 1.0
assign (resid   9 and name HE#  )(resid   11 and name HA   ) 3.5 1.5 1.0
assign (resid   9 and name HD#  )(resid   11 and name HD#  ) 3.5 1.5 1.0
assign (resid   9 and name HE#  )(resid   11 and name HG#  ) 2.5 1.0 1.0
assign (resid   9 and name HD#  )(resid   11 and name HG#  ) 3.5 1.5 1.0
assign (resid   9 and name HE#  )(resid   11 and name HD#  ) 5.0 2.5 1.0
assign (resid   9 and name HD#  )(resid   11 and name HD#  ) 3.5 1.5 1.0
assign (resid   9 and name HE#  )(resid   15 and name HA   ) 3.5 1.5 1.0
assign (resid   9 and name HE#  )(resid   15 and name HN   ) 5.0 2.5 1.0
assign (resid   9 and name HD#  )(resid   15 and name HA   ) 5.0 2.5 1.0
assign (resid   9 and name HE#  )(resid   15 and name HG2# ) 5.0 2.5 1.0
assign (resid   9 and name HD#  )(resid   15 and name HG2# ) 5.0 2.5 1.0
assign (resid   9 and name HD#  )(resid   15 and name HN   ) 5.0 2.5 1.0
assign (resid   9 and name HD#  )(resid   16 and name HZ2  ) 3.5 1.5 1.0
assign (resid   9 and name HA   )(resid   16 and name HB#  ) 5.0 2.5 1.0
assign (resid   9 and name HA   )(resid   16 and name HB#  ) 3.5 1.5 1.0
assign (resid   9 and name HA   )(resid   16 and name HE1  ) 5.0 2.5 1.0
assign (resid   9 and name HD#  )(resid   16 and name HE1  ) 3.5 1.5 1.0
assign (resid   9 and name HB#  )(resid   16 and name HH2  ) 5.0 2.5 1.0
assign (resid   9 and name HA   )(resid   16 and name HE3  ) 3.5 1.5 1.0
assign (resid   9 and name HA   )(resid   16 and name HZ2  ) 5.0 2.5 1.0
assign (resid   9 and name HN   )(resid   16 and name HB#  ) 5.0 2.5 1.0
assign (resid   9 and name HB#  )(resid   16 and name HA   ) 5.0 2.5 1.0
assign (resid   9 and name HN   )(resid   16 and name HE3  ) 5.0 2.5 1.0
assign (resid   9 and name HB#  )(resid   16 and name HA   ) 5.0 2.5 1.0
assign (resid   9 and name HD#  )(resid   16 and name HB#  ) 3.5 1.5 1.0
assign (resid   9 and name HB#  )(resid   16 and name HD1  ) 5.0 2.5 1.0
assign (resid   9 and name HE#  )(resid   16 and name HE1  ) 3.5 1.5 1.0
assign (resid   9 and name HB#  )(resid   16 and name HB#  ) 5.0 2.5 1.0
assign (resid   9 and name HN   )(resid   16 and name HZ3  ) 3.5 1.5 1.0
assign (resid   9 and name HD#  )(resid   16 and name HA   ) 3.5 1.5 1.0
assign (resid   9 and name HB#  )(resid   16 and name HE1  ) 5.0 2.5 1.0
assign (resid   9 and name HE#  )(resid   16 and name HD1  ) 5.0 2.5 1.0
assign (resid   9 and name HD#  )(resid   16 and name HD1  ) 3.5 1.5 1.0
assign (resid   9 and name HB#  )(resid   16 and name HZ3  ) 5.0 2.5 1.0
assign (resid   9 and name HD#  )(resid   16 and name HN   ) 5.0 2.5 1.0
assign (resid   9 and name HN   )(resid   16 and name HA   ) 5.0 2.5 1.0
assign (resid   9 and name HA   )(resid   16 and name HA   ) 2.5 1.0 1.0
assign (resid   9 and name HD#  )(resid   16 and name HB#  ) 5.0 2.5 1.0
assign (resid   9 and name HE#  )(resid   16 and name HN   ) 5.0 2.5 1.0
assign (resid   9 and name HB#  )(resid   16 and name HE3  ) 3.5 1.5 1.0
assign (resid   9 and name HB#  )(resid   16 and name HZ2  ) 5.0 2.5 1.0
assign (resid   9 and name HB#  )(resid   16 and name HZ3  ) 5.0 2.5 1.0
assign (resid   9 and name HE#  )(resid   16 and name HA   ) 5.0 2.5 1.0
assign (resid   9 and name HA   )(resid   17 and name HG#  ) 3.5 1.5 1.0
assign (resid   9 and name HD#  )(resid   17 and name HN   ) 5.0 2.5 1.0
assign (resid   9 and name HA   )(resid   17 and name HN   ) 3.5 1.5 1.0
assign (resid   9 and name HD#  )(resid   25 and name HA#  ) 5.0 2.5 1.0
assign (resid  10 and name HA   )(resid   11 and name HD#  ) 2.0 0.5 0.8
assign (resid  10 and name HA   )(resid   11 and name HD#  ) 2.0 0.5 0.8
assign (resid  10 and name HA   )(resid   11 and name HG#  ) 3.5 1.5 1.0
assign (resid  10 and name HB#  )(resid   11 and name HD#  ) 5.0 2.5 1.0
assign (resid  10 and name HN   )(resid   11 and name HD#  ) 3.5 1.5 1.0
assign (resid  10 and name HN   )(resid   11 and name HD#  ) 3.5 1.5 1.0
assign (resid  10 and name HA   )(resid   12 and name HN   ) 3.5 1.5 1.0
assign (resid  10 and name HB#  )(resid   12 and name HD#  ) 5.0 2.5 1.0
assign (resid  10 and name HB#  )(resid   12 and name HB#  ) 5.0 2.5 1.0
assign (resid  10 and name HB#  )(resid   12 and name HN   ) 5.0 2.5 1.0
assign (resid  10 and name HB#  )(resid   13 and name HN   ) 3.5 1.5 1.0
assign (resid  10 and name HB#  )(resid   13 and name HG2# ) 3.5 1.5 1.0
assign (resid  10 and name HB#  )(resid   14 and name HN   ) 3.5 1.5 1.0
assign (resid  10 and name HB#  )(resid   15 and name HN   ) 3.5 1.5 1.0
assign (resid  10 and name HB#  )(resid   15 and name HN   ) 5.0 2.5 1.0
assign (resid  10 and name HN   )(resid   16 and name HA   ) 3.5 1.5 1.0
assign (resid  10 and name HB#  )(resid   17 and name HG#  ) 3.5 1.5 1.0
assign (resid  10 and name HB#  )(resid   17 and name HG#  ) 5.0 2.5 1.0
assign (resid  10 and name HN   )(resid   17 and name HG#  ) 3.5 1.5 1.0
assign (resid  10 and name HB#  )(resid   17 and name HD#  ) 3.5 1.5 1.0
assign (resid  10 and name HB#  )(resid   17 and name HE   ) 5.0 2.5 1.0
assign (resid  11 and name HB#  )(resid   12 and name HN   ) 3.5 1.5 1.0
assign (resid  11 and name HD#  )(resid   12 and name HE   ) 3.5 1.5 1.0
assign (resid  11 and name HD#  )(resid   12 and name HN   ) 3.5 1.5 1.0
assign (resid  11 and name HD#  )(resid   12 and name HB#  ) 5.0 2.5 1.0
assign (resid  11 and name HD#  )(resid   12 and name HG#  ) 3.5 1.5 1.0
assign (resid  11 and name HG#  )(resid   12 and name HN   ) 2.5 1.0 1.0
assign (resid  11 and name HG#  )(resid   12 and name HE   ) 5.0 2.5 1.0
assign (resid  11 and name HD#  )(resid   12 and name HN   ) 2.5 1.0 1.0
assign (resid  11 and name HB#  )(resid   13 and name HN   ) 5.0 2.5 1.0
assign (resid  11 and name HA   )(resid   14 and name HN   ) 3.5 1.5 1.0
assign (resid  11 and name HA   )(resid   15 and name HN   ) 5.0 2.5 1.0
assign (resid  11 and name HD#  )(resid   15 and name HN   ) 5.0 2.5 1.0
assign (resid  12 and name HE   )(resid   13 and name HG2# ) 5.0 2.5 1.0
assign (resid  12 and name HB#  )(resid   13 and name HG2# ) 2.5 1.0 1.0
assign (resid  12 and name HN   )(resid   13 and name HN   ) 2.5 1.0 1.0
assign (resid  12 and name HB#  )(resid   13 and name HN   ) 2.5 1.0 1.0
assign (resid  12 and name HN   )(resid   13 and name HG2# ) 3.5 1.5 1.0
assign (resid  12 and name HD#  )(resid   13 and name HG2# ) 5.0 2.5 1.0
assign (resid  12 and name HB#  )(resid   14 and name HN   ) 5.0 2.5 1.0
assign (resid  13 and name HG2# )(resid   14 and name HN   ) 3.5 1.5 1.0
assign (resid  13 and name HB   )(resid   14 and name HN   ) 3.5 1.5 1.0
assign (resid  13 and name HN   )(resid   14 and name HN   ) 2.0 0.5 0.8
assign ((resi 13 or resi 17) and name HA)((resi 14 or resi 18) and name HN) 2.0 0.5 0.8
assign (resid  13 and name HB   )(resid   15 and name HN   ) 5.0 2.5 1.0
assign (resid  13 and name HN   )(resid   15 and name HN   ) 3.5 1.5 1.0
assign (resid  14 and name HN   )(resid   15 and name HN   ) 2.5 1.0 1.0
assign (resid  14 and name HN   )(resid   15 and name HG2# ) 5.0 2.5 1.0
assign (resid  15 and name HA   )(resid   16 and name HB#  ) 5.0 2.5 1.0
assign (resid  15 and name HA   )(resid   16 and name HN   ) 2.0 0.5 0.8
assign (resid  15 and name HG2# )(resid   16 and name HA   ) 5.0 2.5 1.0
assign (resid  15 and name HG2# )(resid   16 and name HN   ) 3.5 1.5 1.0
assign (resid  15 and name HB   )(resid   16 and name HB#  ) 3.5 1.5 1.0
assign (resid  15 and name HG2# )(resid   16 and name HD1  ) 5.0 2.5 1.0
assign (resid  15 and name HG2# )(resid   22 and name HB#  ) 5.0 2.5 1.0
assign (resid  15 and name HN   )(resid   22 and name HB#  ) 5.0 2.5 1.0
assign (resid  16 and name HA   )(resid   17 and name HB#  ) 5.0 2.5 1.0
assign (resid  16 and name HA   )(resid   17 and name HN   ) 2.0 0.5 0.8
assign (resid  16 and name HB#  )(resid   17 and name HN   ) 3.5 1.5 1.0
assign (resid  16 and name HE3  )(resid   17 and name HN   ) 3.5 1.5 1.0
assign (resid  16 and name HA   )(resid   17 and name HG#  ) 3.5 1.5 1.0
assign (resid  16 and name HB#  )(resid   17 and name HG#  ) 5.0 2.5 1.0
assign (resid  16 and name HB#  )(resid   18 and name HN   ) 3.5 1.5 1.0
assign (resid  16 and name HE3  )(resid   20 and name HG2# ) 5.0 2.5 1.0
assign (resid  16 and name HZ3  )(resid   20 and name HB#  ) 5.0 2.5 1.0
assign (resid  16 and name HB#  )(resid   20 and name HN   ) 3.5 1.5 1.0
assign (resid  16 and name HH2  )(resid   20 and name HG2# ) 5.0 2.5 1.0
assign (resid  16 and name HE1  )(resid   22 and name HA   ) 5.0 2.5 1.0
assign (resid  16 and name HE1  )(resid   23 and name HN   ) 5.0 2.5 1.0
assign (resid  16 and name HD1  )(resid   23 and name HN   ) 3.5 1.5 1.0
assign (resid  16 and name HB#  )(resid   23 and name HN   ) 2.5 1.0 1.0
assign (resid  16 and name HD1  )(resid   24 and name HN   ) 3.5 1.5 1.0
assign (resid  16 and name HD1  )(resid   25 and name HA#  ) 5.0 2.5 1.0
assign (resid  17 and name HB#  )(resid   18 and name HN   ) 2.5 1.0 1.0
assign (resid  17 and name HD#  )(resid   18 and name HN   ) 3.5 1.5 1.0
assign (resid  17 and name HB#  )(resid   18 and name HA   ) 3.5 1.5 1.0
assign (resid  17 and name HB#  )(resid   18 and name HN   ) 3.5 1.5 1.0
assign (resid  17 and name HG#  )(resid   18 and name HN   ) 3.5 1.5 1.0
assign (resid  17 and name HB#  )(resid   18 and name HA   ) 5.0 2.5 1.0
assign (resid  17 and name HB#  )(resid   18 and name HB#  ) 5.0 2.5 1.0
assign (resid 18:19 and name HA )(resid 18:19 and name HN  ) 2.0 0.5 0.8
assign (resid  19 and name HN   )(resid   20 and name HA   ) 5.0 2.5 1.0
assign (resid  19 and name HN   )(resid   20 and name HN   ) 2.5 1.0 1.0
assign (resid  19 and name HN   )(resid   20 and name HD1# ) 5.0 2.5 1.0
assign (resid  19 and name HN   )(resid   20 and name HG1# ) 5.0 2.5 1.0
assign (resid  19 and name HA   )(resid   20 and name HN   ) 2.5 1.0 1.0
assign (resid  20 and name HD1# )(resid   21 and name HN   ) 5.0 2.5 1.0
assign (resid  20 and name HA   )(resid   21 and name HN   ) 2.0 0.5 0.8
assign (resid  20 and name HG1# )(resid   21 and name HN   ) 5.0 2.5 1.0
assign (resid  20 and name HA   )(resid   21 and name HB#  ) 5.0 2.5 1.0
assign (resid  20 and name HG2# )(resid   21 and name HN   ) 2.5 1.0 1.0
assign (resid  20 and name HG2# )(resid   21 and name HA   ) 3.5 1.5 1.0
assign (resid  20 and name HG2# )(resid   22 and name HN   ) 5.0 2.5 1.0
assign (resid  20 and name HG2# )(resid   22 and name HA   ) 5.0 2.5 1.0
assign (resid  20 and name HG2# )(resid   25 and name HA#  ) 5.0 2.5 1.0
assign (resid  20 and name HB#  )(resid   25 and name HA#  ) 5.0 2.5 1.0
assign (resid  21 and name HB#  )(resid   22 and name HD#  ) 3.5 1.5 1.0
assign (resid  21 and name HA   )(resid   22 and name HD#  ) 5.0 2.5 1.0
assign (resid  21 and name HA   )(resid   22 and name HB#  ) 5.0 2.5 1.0
assign (resid  21 and name HA   )(resid   22 and name HN   ) 2.0 0.5 0.8
assign (resid  21 and name HB#  )(resid   22 and name HN   ) 2.5 1.0 1.0
assign (resid  21 and name HB#  )(resid   22 and name HE#  ) 5.0 2.5 1.0
assign (resid  21 and name HB#  )(resid   22 and name HA   ) 3.5 1.5 1.0
assign (resid  21 and name HB#  )(resid   22 and name HB#  ) 5.0 2.5 1.0
assign (resid  21 and name HB#  )(resid   23 and name HN   ) 5.0 2.5 1.0
assign (resid  21 and name HB#  )(resid   25 and name HA#  ) 3.5 1.5 1.0
assign (resid  21 and name HB#  )(resid   25 and name HN   ) 5.0 2.5 1.0
assign (resid  22 and name HN   )(resid   23 and name HA#  ) 5.0 2.5 1.0
assign (resid  22 and name HB#  )(resid   23 and name HN   ) 3.5 1.5 1.0
assign (resid  22 and name HD#  )(resid   23 and name HA#  ) 3.5 1.5 1.0
assign (resid  22 and name HA   )(resid   23 and name HN   ) 2.0 0.5 0.8
assign (resid  22 and name HD#  )(resid   23 and name HN   ) 3.5 1.5 1.0
assign (resid  22 and name HE#  )(resid   23 and name HA#  ) 3.5 1.5 1.0
assign (resid  22 and name HD#  )(resid   24 and name HN   ) 5.0 2.5 1.0
assign (resid  22 and name HB#  )(resid   24 and name HN   ) 5.0 2.5 1.0
assign (resid  22 and name HA   )(resid   24 and name HN   ) 3.5 1.5 1.0
assign (resid  23 and name HN   )(resid   24 and name HN   ) 2.5 1.0 1.0
assign (resid  23 and name HA#  )(resid   24 and name HN   ) 3.5 1.5 1.0
assign (resid  24 and name HA#  )(resid   25 and name HN   ) 3.5 1.5 1.0
assign (resid  24 and name HN   )(resid   25 and name HN   ) 3.5 1.5 1.0

!! Phi
!  
!  -120 +- 50 for > 8.0
!  -65 +- 35 for < 6.5
!  -100 +- 70 for 6.5-8.0
!!    2
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 70.0 2
!!    3
assign (resid   2 and name c ) (resid   3 and name n )
       (resid   3 and name ca) (resid   3 and name c )  1.0 -100.0 70.0 2
!!    4
assign (resid   3 and name c ) (resid   4 and name n )
       (resid   4 and name ca) (resid   4 and name c )  1.0 -100.0 70.0 2
!!    5
assign (resid   4 and name c ) (resid   5 and name n )
       (resid   5 and name ca) (resid   5 and name c )  1.0 -65.0 35.0 2
!!    6
assign (resid   5 and name c ) (resid   6 and name n )
       (resid   6 and name ca) (resid   6 and name c )  1.0 -100.0 70.0 2
!!    7
assign (resid   6 and name c ) (resid   7 and name n )
       (resid   7 and name ca) (resid   7 and name c )  1.0  -65.0 35.0 2
!!    9
assign (resid   8 and name c ) (resid   9 and name n )
       (resid   9 and name ca) (resid   9 and name c )  1.0  -65.0 35.0 2
!!    10
assign (resid   9 and name c ) (resid   10 and name n )
       (resid   10 and name ca) (resid   10 and name c )  1.0  -120.0 50.0 2
!!    12
assign (resid 11 and name c ) (resid   12 and name n )
       (resid   12 and name ca) (resid   12 and name c )  1.0  -65.0 35.0 2
!!    13
assign (resid   12 and name c ) (resid   13 and name n )
       (resid   13 and name ca) (resid   13 and name c )  1.0  -120.0 50.0 2
!!    15
assign (resid   14 and name c ) (resid   15 and name n )
       (resid   15 and name ca) (resid   15 and name c )  1.0  -120.0 50.0 2
!!    16
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 70.0 2
!!    17
assign (resid   16 and name c ) (resid  17 and name n )
       (resid   17 and name ca) (resid   17 and name c )  1.0 -100.0 70.0 2
!!    18
assign (resid   17 and name c ) (resid  18 and name n )
       (resid   18 and name ca) (resid   18 and name c )  1.0 -100.0 70.0 2
!!    19
assign (resid   18 and name c ) (resid  19 and name n )
       (resid   19 and name ca) (resid   19 and name c )  1.0 -100.0 70.0 2
!!    20
assign (resid   19 and name c ) (resid  20 and name n )
       (resid   20 and name ca) (resid   20 and name c )  1.0 -100.0 70.0 2
!!    21
assign (resid   20 and name c ) (resid  21 and name n )
       (resid   21 and name ca) (resid   21 and name c )  1.0 -65.0 35.0 2
!!    22
assign (resid   21 and name c ) (resid  22 and name n )
       (resid   22 and name ca) (resid   22 and name c )  1.0 -100.0 70.0 2

!hydrogen bonds
assign (resid  10 and name  N   )(resid  15 and name  O   ) 3.3 0.8 0.2
assign (resid  10 and name  HN  )(resid  15 and name  O   ) 2.3 0.8 0.2
assign (resid  14 and name  N   )(resid  10 and name  O   ) 3.3 0.8 0.2
assign (resid  14 and name  HN  )(resid  10 and name  O   ) 2.3 0.8 0.2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           1HT      GLY   1 -11.347  -5.136  -7.475
    2    H2   GLY   1           2HT      GLY   1 -11.932  -3.549  -7.519
    3    H3   GLY   1           3HT      GLY   1 -12.539  -4.642  -6.380
    4    HA2  GLY   1           1HA      GLY   1  -9.758  -3.608  -6.483
    5    HA3  GLY   1           2HA      GLY   1 -10.995  -3.093  -5.347
    6    H    VAL   2           H        VAL   2  -8.408  -4.249  -4.760
    7    HA   VAL   2           HA       VAL   2  -9.004  -6.931  -3.796
    8    HB   VAL   2           HB       VAL   2  -6.656  -6.986  -3.066
    9   HG11  VAL   2          1HG1      VAL   2  -5.630  -6.909  -5.293
   10   HG12  VAL   2          2HG1      VAL   2  -7.038  -6.039  -5.905
   11   HG13  VAL   2          3HG1      VAL   2  -7.207  -7.697  -5.324
   12   HG21  VAL   2          3HG2      VAL   2  -5.144  -5.154  -3.603
   13   HG22  VAL   2          1HG2      VAL   2  -6.414  -4.611  -2.508
   14   HG23  VAL   2          2HG2      VAL   2  -6.494  -4.203  -4.220
   15    H    VAL   3           H        VAL   3  -7.894  -7.306  -1.492
   16    HA   VAL   3           HA       VAL   3  -8.433  -5.165   0.379
   17    HB   VAL   3           HB       VAL   3 -10.012  -6.479   1.742
   18   HG11  VAL   3          1HG1      VAL   3 -10.850  -4.799   0.168
   19   HG12  VAL   3          2HG1      VAL   3 -11.983  -6.136   0.353
   20   HG13  VAL   3          3HG1      VAL   3 -10.966  -6.035  -1.085
   21   HG21  VAL   3          3HG2      VAL   3 -11.128  -8.437   0.773
   22   HG22  VAL   3          1HG2      VAL   3  -9.401  -8.712   0.990
   23   HG23  VAL   3          2HG2      VAL   3 -10.043  -8.363  -0.615
   24    H    ARG   4           H        ARG   4  -6.097  -6.587  -0.343
   25    HA   ARG   4           HA       ARG   4  -5.383  -7.656   2.275
   26    HB2  ARG   4           2HB      ARG   4  -4.985  -9.143  -0.321
   27    HB3  ARG   4           1HB      ARG   4  -4.132  -9.542   1.164
   28    HG2  ARG   4           2HG      ARG   4  -7.118  -9.587   0.789
   29    HG3  ARG   4           1HG      ARG   4  -6.055 -10.994   0.806
   30    HD2  ARG   4           2HD      ARG   4  -5.385 -10.423   3.109
   31    HD3  ARG   4           1HD      ARG   4  -6.510  -9.068   3.081
   32    HE   ARG   4           HE       ARG   4  -8.278 -10.543   3.288
   33   HH11  ARG   4          1HH1      ARG   4  -5.294 -12.302   2.841
   34   HH12  ARG   4          2HH1      ARG   4  -5.982 -13.825   3.290
   35   HH21  ARG   4          1HH2      ARG   4  -9.180 -12.545   3.880
   36   HH22  ARG   4          2HH2      ARG   4  -8.185 -13.965   3.880
   37    H    GLN   5           H        GLN   5  -3.405  -7.069   2.927
   38    HA   GLN   5           HA       GLN   5  -1.795  -5.486   1.057
   39    HB2  GLN   5           2HB      GLN   5  -0.712  -4.570   3.059
   40    HB3  GLN   5           1HB      GLN   5  -2.456  -4.362   3.121
   41    HG2  GLN   5           2HG      GLN   5  -2.631  -6.288   4.614
   42    HG3  GLN   5           1HG      GLN   5  -0.880  -6.488   4.556
   43   HE21  GLN   5          1HE2      GLN   5  -0.658  -6.195   6.764
   44   HE22  GLN   5          2HE2      GLN   5  -0.847  -4.653   7.519
   45    H    TRP   6           H        TRP   6   0.667  -5.546   1.900
   46    HA   TRP   6           HA       TRP   6   1.677  -8.059   2.729
   47    HB2  TRP   6           2HB      TRP   6   2.578  -8.920   0.687
   48    HB3  TRP   6           1HB      TRP   6   0.875  -8.594   0.399
   49    HD1  TRP   6           HD       TRP   6   0.489  -5.985  -0.775
   50    HE1  TRP   6           1HE      TRP   6   1.779  -5.031  -2.787
   51    HE3  TRP   6           3HE      TRP   6   4.634  -8.967  -0.567
   52    HZ2  TRP   6           2HZ      TRP   6   4.231  -5.481  -4.110
   53    HZ3  TRP   6           3HZ      TRP   6   6.408  -8.641  -2.242
   54    HH2  TRP   6           HH       TRP   6   6.208  -6.933  -3.977
   55    H    SER   7           H        SER   7   4.156  -7.798   1.111
   56    HA   SER   7           HA       SER   7   5.348  -5.660   2.682
   57    HB2  SER   7           2HB      SER   7   6.627  -7.788   0.951
   58    HB3  SER   7           1HB      SER   7   7.500  -6.643   1.967
   59    HG   SER   7           HG       SER   7   6.631  -7.594   3.771
   60    H    GLY   8           H        GLY   8   3.666  -5.092   0.275
   61    HA2  GLY   8           2HA      GLY   8   5.651  -3.967  -1.563
   62    HA3  GLY   8           1HA      GLY   8   3.927  -4.105  -1.866
   63    H    TYR   9           H        TYR   9   5.373  -2.781   1.057
   64    HA   TYR   9           HA       TYR   9   4.011  -0.252   0.502
   65    HB2  TYR   9           2HB      TYR   9   3.563  -1.322   2.668
   66    HB3  TYR   9           1HB      TYR   9   5.280  -1.272   3.054
   67    HD1  TYR   9           1HD      TYR   9   2.233   0.744   2.630
   68    HD2  TYR   9           2HD      TYR   9   6.327   0.765   3.784
   69    HE1  TYR   9           1HE      TYR   9   1.934   2.973   3.626
   70    HE2  TYR   9           2HE      TYR   9   6.040   2.994   4.783
   71    HH   TYR   9           HH       TYR   9   2.999   4.380   5.341
   72    H    ASP  10           H        ASP  10   5.099   1.455  -0.202
   73    HA   ASP  10           HA       ASP  10   8.021   1.413  -0.102
   74    HB2  ASP  10           2HB      ASP  10   6.948   1.794  -2.285
   75    HB3  ASP  10           1HB      ASP  10   6.152   3.227  -1.642
   76    HA   PRO  11           HA       PRO  11   7.536   4.324   3.335
   77    HB2  PRO  11           2HB      PRO  11  10.433   4.073   3.614
   78    HB3  PRO  11           1HB      PRO  11   9.159   3.573   4.738
   79    HG2  PRO  11           2HG      PRO  11  10.713   1.822   3.392
   80    HG3  PRO  11           1HG      PRO  11   9.053   1.467   3.907
   81    HD2  PRO  11           2HD      PRO  11  10.074   2.211   1.206
   82    HD3  PRO  11           1HD      PRO  11   8.797   1.065   1.658
   83    H    ARG  12           H        ARG  12   9.995   4.404   0.812
   84    HA   ARG  12           HA       ARG  12  10.987   6.965   1.138
   85    HB2  ARG  12           2HB      ARG  12  10.480   5.492  -1.453
   86    HB3  ARG  12           1HB      ARG  12  11.528   6.892  -1.270
   87    HG2  ARG  12           2HG      ARG  12  12.976   5.626   0.226
   88    HG3  ARG  12           1HG      ARG  12  11.918   4.223   0.067
   89    HD2  ARG  12           2HD      ARG  12  13.436   5.554  -2.174
   90    HD3  ARG  12           1HD      ARG  12  13.884   4.043  -1.382
   91    HE   ARG  12           HE       ARG  12  11.256   3.853  -2.386
   92   HH11  ARG  12          2HH1      ARG  12  14.571   3.950  -3.472
   93   HH12  ARG  12          1HH1      ARG  12  14.259   3.033  -4.907
   94   HH21  ARG  12          1HH2      ARG  12  10.843   2.646  -4.272
   95   HH22  ARG  12          2HH2      ARG  12  12.142   2.293  -5.362
   96    H    THR  13           H        THR  13   7.924   5.930  -0.181
   97    HA   THR  13           HA       THR  13   7.207   8.756  -0.559
   98    HB   THR  13           HB       THR  13   5.744   8.139  -2.424
   99    HG1  THR  13           1HG      THR  13   5.216   6.086  -2.480
  100   HG21  THR  13          3HG2      THR  13   8.035   8.840  -2.919
  101   HG22  THR  13          1HG2      THR  13   7.476   7.643  -4.085
  102   HG23  THR  13          2HG2      THR  13   8.580   7.167  -2.794
  103    H    GLY  14           H        GLY  14   6.786   6.499   1.529
  104    HA2  GLY  14           2HA      GLY  14   5.112   5.762   2.928
  105    HA3  GLY  14           1HA      GLY  14   4.503   7.396   2.729
  106    H    THR  15           H        THR  15   4.687   5.190   0.028
  107    HA   THR  15           HA       THR  15   1.792   4.720   0.212
  108    HB   THR  15           HB       THR  15   1.650   5.030  -2.276
  109    HG1  THR  15           1HG      THR  15   3.418   5.492  -3.336
  110   HG21  THR  15          3HG2      THR  15   1.577   7.488  -2.179
  111   HG22  THR  15          1HG2      THR  15   2.456   7.445  -0.652
  112   HG23  THR  15          2HG2      THR  15   0.837   6.753  -0.758
  113    H    TRP  16           H        TRP  16   1.057   2.980  -1.287
  114    HA   TRP  16           HA       TRP  16   2.843   0.726  -1.059
  115    HB2  TRP  16           2HB      TRP  16   0.015   0.976  -2.096
  116    HB3  TRP  16           1HB      TRP  16   0.890  -0.549  -1.987
  117    HD1  TRP  16           HD       TRP  16  -0.961   1.997   0.134
  118    HE1  TRP  16           1HE      TRP  16  -1.230   1.071   2.519
  119    HE3  TRP  16           3HE      TRP  16   2.056  -2.111  -0.246
  120    HZ2  TRP  16           2HZ      TRP  16  -0.287  -1.112   4.041
  121    HZ3  TRP  16           3HZ      TRP  16   2.320  -3.565   1.722
  122    HH2  TRP  16           HH       TRP  16   1.172  -3.075   3.821
  123    H    ARG  17           H        ARG  17   2.568  -0.874  -3.103
  124    HA   ARG  17           HA       ARG  17   4.087   0.376  -5.165
  125    HB2  ARG  17           2HB      ARG  17   2.951  -2.398  -4.859
  126    HB3  ARG  17           1HB      ARG  17   3.873  -1.903  -6.272
  127    HG2  ARG  17           2HG      ARG  17   4.886  -1.823  -3.439
  128    HG3  ARG  17           1HG      ARG  17   5.223  -3.105  -4.603
  129    HD2  ARG  17           2HD      ARG  17   6.282  -1.455  -6.085
  130    HD3  ARG  17           1HD      ARG  17   5.970  -0.196  -4.891
  131    HE   ARG  17           HE       ARG  17   7.381  -2.143  -3.559
  132   HH11  ARG  17          2HH1      ARG  17   7.918  -0.126  -6.356
  133   HH12  ARG  17          1HH1      ARG  17   9.636  -0.079  -6.147
  134   HH21  ARG  17          2HH2      ARG  17   9.641  -2.084  -3.284
  135   HH22  ARG  17          1HH2      ARG  17  10.614  -1.190  -4.404
  136    H    SER  18           H        SER  18   1.307  -1.715  -5.831
  137    HA   SER  18           HA       SER  18  -0.290   0.308  -7.005
  138    HB2  SER  18           2HB      SER  18   1.455   0.299  -8.721
  139    HB3  SER  18           1HB      SER  18   1.268  -1.442  -8.923
  140    HG   SER  18           HG       SER  18   0.065  -0.475 -10.508
  141    H    SER  19           H        SER  19   0.584  -3.122  -7.057
  142    HA   SER  19           HA       SER  19  -1.767  -4.225  -7.987
  143    HB2  SER  19           2HB      SER  19  -1.147  -6.235  -6.597
  144    HB3  SER  19           1HB      SER  19   0.143  -5.630  -7.637
  145    HG   SER  19           HG       SER  19   1.290  -5.283  -5.924
  146    H    ILE  20           H        ILE  20  -0.990  -3.152  -4.721
  147    HA   ILE  20           HA       ILE  20  -3.728  -3.781  -3.873
  148    HB   ILE  20           HB       ILE  20  -1.270  -3.099  -2.254
  149   HG12  ILE  20          2HG1      ILE  20  -1.646  -5.388  -1.327
  150   HG13  ILE  20          1HG1      ILE  20  -2.940  -5.612  -2.499
  151   HG21  ILE  20          1HG2      ILE  20  -2.663  -3.488  -0.261
  152   HG22  ILE  20          2HG2      ILE  20  -4.086  -3.601  -1.298
  153   HG23  ILE  20          3HG2      ILE  20  -3.193  -2.086  -1.189
  154   HD11  ILE  20          3HD1      ILE  20  -0.124  -4.973  -3.309
  155   HD12  ILE  20          1HD1      ILE  20  -1.435  -5.602  -4.305
  156   HD13  ILE  20          2HD1      ILE  20  -0.700  -6.621  -3.068
  157    H    ALA  21           H        ALA  21  -4.977  -2.193  -2.745
  158    HA   ALA  21           HA       ALA  21  -5.061   0.307  -3.966
  159    HB1  ALA  21           1HB      ALA  21  -6.969  -0.738  -2.821
  160    HB2  ALA  21           2HB      ALA  21  -6.694   0.921  -2.288
  161    HB3  ALA  21           3HB      ALA  21  -6.191  -0.427  -1.269
  162    H    TYR  22           H        TYR  22  -3.411   1.690  -3.905
  163    HA   TYR  22           HA       TYR  22  -1.613   1.973  -1.743
  164    HB2  TYR  22           2HB      TYR  22  -0.710   3.865  -2.970
  165    HB3  TYR  22           1HB      TYR  22  -1.053   2.547  -4.087
  166    HD1  TYR  22           1HD      TYR  22  -3.134   2.671  -5.512
  167    HD2  TYR  22           2HD      TYR  22  -1.726   5.977  -3.231
  168    HE1  TYR  22           1HE      TYR  22  -4.497   4.191  -6.882
  169    HE2  TYR  22           2HE      TYR  22  -3.087   7.505  -4.595
  170    HH   TYR  22           HH       TYR  22  -5.515   6.423  -6.700
  171    H    GLY  23           H        GLY  23  -1.264   3.886  -0.442
  172    HA2  GLY  23           2HA      GLY  23  -1.950   5.778   0.740
  173    HA3  GLY  23           1HA      GLY  23  -3.477   5.736  -0.126
  174    H    GLY  24           H        GLY  24  -1.651   3.907   2.326
  175    HA2  GLY  24           2HA      GLY  24  -2.461   3.431   4.493
  176    HA3  GLY  24           1HA      GLY  24  -4.091   3.768   3.934
  177    H    GLY  25           H        GLY  25  -5.195   2.163   2.682
  178    HA2  GLY  25           2HA      GLY  25  -5.380  -0.027   1.761
  179    HA3  GLY  25           1HA      GLY  25  -3.977  -0.509   2.703
  Start of MODEL    2
    1    H1   GLY   1           1HT      GLY   1 -10.950  -6.077  -7.451
    2    H2   GLY   1           2HT      GLY   1 -12.446  -6.824  -7.203
    3    H3   GLY   1           3HT      GLY   1 -11.022  -7.605  -6.729
    4    HA2  GLY   1           1HA      GLY   1 -12.095  -5.093  -5.565
    5    HA3  GLY   1           2HA      GLY   1 -12.175  -6.680  -4.815
    6    H    VAL   2           H        VAL   2 -11.086  -5.168  -3.143
    7    HA   VAL   2           HA       VAL   2  -8.206  -5.652  -3.348
    8    HB   VAL   2           HB       VAL   2  -8.503  -3.313  -3.984
    9   HG11  VAL   2          1HG1      VAL   2  -9.658  -2.785  -1.262
   10   HG12  VAL   2          2HG1      VAL   2 -10.665  -3.063  -2.681
   11   HG13  VAL   2          3HG1      VAL   2  -9.555  -1.693  -2.641
   12   HG21  VAL   2          3HG2      VAL   2  -7.342  -3.646  -1.220
   13   HG22  VAL   2          1HG2      VAL   2  -7.035  -2.288  -2.300
   14   HG23  VAL   2          2HG2      VAL   2  -6.502  -3.908  -2.748
   15    H    VAL   3           H        VAL   3  -7.906  -7.075  -1.758
   16    HA   VAL   3           HA       VAL   3  -8.413  -6.289   0.966
   17    HB   VAL   3           HB       VAL   3  -9.671  -8.333   1.569
   18   HG11  VAL   3          1HG1      VAL   3 -11.088  -6.673  -0.511
   19   HG12  VAL   3          2HG1      VAL   3 -10.823  -6.185   1.163
   20   HG13  VAL   3          3HG1      VAL   3 -11.833  -7.585   0.802
   21   HG21  VAL   3          3HG2      VAL   3  -9.904  -8.708  -1.415
   22   HG22  VAL   3          1HG2      VAL   3 -10.770  -9.639  -0.192
   23   HG23  VAL   3          2HG2      VAL   3  -9.013  -9.746  -0.301
   24    H    ARG   4           H        ARG   4  -6.083  -6.822  -0.551
   25    HA   ARG   4           HA       ARG   4  -4.969  -9.000   1.052
   26    HB2  ARG   4           2HB      ARG   4  -4.553  -8.753  -1.933
   27    HB3  ARG   4           1HB      ARG   4  -3.762  -9.917  -0.880
   28    HG2  ARG   4           2HG      ARG   4  -5.911 -10.944  -0.376
   29    HG3  ARG   4           1HG      ARG   4  -6.724  -9.760  -1.403
   30    HD2  ARG   4           2HD      ARG   4  -6.421 -11.860  -2.591
   31    HD3  ARG   4           1HD      ARG   4  -5.466 -10.579  -3.336
   32    HE   ARG   4           HE       ARG   4  -3.828 -11.887  -1.507
   33   HH11  ARG   4          1HH1      ARG   4  -5.503 -12.601  -4.485
   34   HH12  ARG   4          2HH1      ARG   4  -4.359 -13.801  -4.986
   35   HH21  ARG   4          1HH2      ARG   4  -2.321 -13.463  -2.168
   36   HH22  ARG   4          2HH2      ARG   4  -2.553 -14.290  -3.671
   37    H    GLN   5           H        GLN   5  -3.484  -7.976   2.230
   38    HA   GLN   5           HA       GLN   5  -1.900  -5.843   0.994
   39    HB2  GLN   5           2HB      GLN   5  -1.297  -5.183   3.246
   40    HB3  GLN   5           1HB      GLN   5  -3.044  -5.340   3.124
   41    HG2  GLN   5           2HG      GLN   5  -2.916  -7.538   4.190
   42    HG3  GLN   5           1HG      GLN   5  -1.167  -7.361   4.327
   43   HE21  GLN   5          1HE2      GLN   5  -0.317  -5.904   5.811
   44   HE22  GLN   5          2HE2      GLN   5  -1.262  -5.247   7.100
   45    H    TRP   6           H        TRP   6   0.424  -5.730   1.854
   46    HA   TRP   6           HA       TRP   6   1.757  -8.115   2.589
   47    HB2  TRP   6           2HB      TRP   6   2.857  -8.710   0.540
   48    HB3  TRP   6           1HB      TRP   6   1.132  -8.639   0.211
   49    HD1  TRP   6           HD       TRP   6   0.444  -5.920  -0.690
   50    HE1  TRP   6           1HE      TRP   6   1.572  -4.714  -2.664
   51    HE3  TRP   6           3HE      TRP   6   4.814  -8.559  -0.845
   52    HZ2  TRP   6           2HZ      TRP   6   4.009  -4.862  -4.093
   53    HZ3  TRP   6           3HZ      TRP   6   6.493  -7.965  -2.544
   54    HH2  TRP   6           HH       TRP   6   6.095  -6.155  -4.134
   55    H    SER   7           H        SER   7   4.246  -7.472   1.189
   56    HA   SER   7           HA       SER   7   5.011  -5.188   2.832
   57    HB2  SER   7           2HB      SER   7   6.709  -7.190   1.326
   58    HB3  SER   7           1HB      SER   7   7.328  -5.919   2.379
   59    HG   SER   7           HG       SER   7   6.274  -6.909   4.114
   60    H    GLY   8           H        GLY   8   3.528  -4.870   0.278
   61    HA2  GLY   8           2HA      GLY   8   5.393  -3.840  -1.645
   62    HA3  GLY   8           1HA      GLY   8   3.646  -3.683  -1.699
   63    H    TYR   9           H        TYR   9   3.603  -2.506   1.028
   64    HA   TYR   9           HA       TYR   9   3.471   0.168   0.413
   65    HB2  TYR   9           2HB      TYR   9   2.523  -0.735   2.462
   66    HB3  TYR   9           1HB      TYR   9   4.133  -1.089   3.085
   67    HD1  TYR   9           2HD      TYR   9   1.759   1.616   2.263
   68    HD2  TYR   9           1HD      TYR   9   5.465   0.614   4.100
   69    HE1  TYR   9           2HE      TYR   9   1.844   3.846   3.297
   70    HE2  TYR   9           1HE      TYR   9   5.561   2.840   5.138
   71    HH   TYR   9           HH       TYR   9   2.901   4.939   5.234
   72    H    ASP  10           H        ASP  10   4.942   1.577  -0.225
   73    HA   ASP  10           HA       ASP  10   7.750   1.134   0.496
   74    HB2  ASP  10           2HB      ASP  10   7.237   1.286  -1.910
   75    HB3  ASP  10           1HB      ASP  10   6.566   2.895  -1.660
   76    HA   PRO  11           HA       PRO  11   6.736   4.530   3.405
   77    HB2  PRO  11           2HB      PRO  11   9.140   4.227   4.759
   78    HB3  PRO  11           1HB      PRO  11   7.634   3.386   5.169
   79    HG2  PRO  11           2HG      PRO  11   9.983   2.405   3.645
   80    HG3  PRO  11           1HG      PRO  11   8.937   1.550   4.797
   81    HD2  PRO  11           2HD      PRO  11   8.713   1.193   2.143
   82    HD3  PRO  11           1HD      PRO  11   7.307   1.138   3.226
   83    H    ARG  12           H        ARG  12   9.459   3.957   1.320
   84    HA   ARG  12           HA       ARG  12  10.799   6.421   1.727
   85    HB2  ARG  12           2HB      ARG  12  10.802   4.580  -0.672
   86    HB3  ARG  12           1HB      ARG  12  11.925   5.907  -0.419
   87    HG2  ARG  12           2HG      ARG  12  12.770   4.808   1.594
   88    HG3  ARG  12           1HG      ARG  12  11.644   3.475   1.333
   89    HD2  ARG  12           2HD      ARG  12  13.839   4.325  -0.554
   90    HD3  ARG  12           1HD      ARG  12  13.899   2.938   0.533
   91    HE   ARG  12           HE       ARG  12  11.627   2.710  -1.089
   92   HH11  ARG  12          2HH1      ARG  12  15.104   2.582  -1.345
   93   HH12  ARG  12          1HH1      ARG  12  15.090   1.502  -2.698
   94   HH21  ARG  12          1HH2      ARG  12  11.604   1.290  -2.869
   95   HH22  ARG  12          2HH2      ARG  12  13.104   0.769  -3.565
   96    H    THR  13           H        THR  13   8.125   5.427  -0.299
   97    HA   THR  13           HA       THR  13   7.952   8.172  -1.342
   98    HB   THR  13           HB       THR  13   6.676   7.274  -3.245
   99    HG1  THR  13           1HG      THR  13   5.934   5.355  -2.103
  100   HG21  THR  13          3HG2      THR  13   8.534   6.142  -4.383
  101   HG22  THR  13          1HG2      THR  13   9.342   5.914  -2.833
  102   HG23  THR  13          2HG2      THR  13   9.096   7.540  -3.468
  103    H    GLY  14           H        GLY  14   6.792   6.619   1.091
  104    HA2  GLY  14           2HA      GLY  14   4.803   6.488   2.249
  105    HA3  GLY  14           1HA      GLY  14   4.597   8.120   1.639
  106    H    THR  15           H        THR  15   4.665   5.284  -0.432
  107    HA   THR  15           HA       THR  15   1.774   5.181  -0.609
  108    HB   THR  15           HB       THR  15   1.712   5.565  -3.044
  109    HG1  THR  15           1HG      THR  15   3.606   5.469  -3.993
  110   HG21  THR  15          3HG2      THR  15   2.899   7.883  -1.512
  111   HG22  THR  15          1HG2      THR  15   1.201   7.407  -1.492
  112   HG23  THR  15          2HG2      THR  15   1.934   7.991  -2.985
  113    H    TRP  16           H        TRP  16   0.990   3.321  -1.610
  114    HA   TRP  16           HA       TRP  16   2.725   1.068  -1.530
  115    HB2  TRP  16           2HB      TRP  16  -0.140   1.434  -2.399
  116    HB3  TRP  16           1HB      TRP  16   0.672  -0.128  -2.472
  117    HD1  TRP  16           HD       TRP  16  -0.424   2.523   0.112
  118    HE1  TRP  16           1HE      TRP  16  -0.737   1.350   2.381
  119    HE3  TRP  16           3HE      TRP  16   1.246  -2.142  -1.148
  120    HZ2  TRP  16           2HZ      TRP  16  -0.329  -1.212   3.491
  121    HZ3  TRP  16           3HZ      TRP  16   1.250  -3.897   0.576
  122    HH2  TRP  16           HH       TRP  16   0.481  -3.440   2.846
  123    H    ARG  17           H        ARG  17   3.301  -0.341  -3.244
  124    HA   ARG  17           HA       ARG  17   3.614   1.055  -5.801
  125    HB2  ARG  17           2HB      ARG  17   5.398  -0.565  -6.263
  126    HB3  ARG  17           1HB      ARG  17   5.677   0.286  -4.750
  127    HG2  ARG  17           2HG      ARG  17   4.815  -1.647  -3.514
  128    HG3  ARG  17           1HG      ARG  17   4.578  -2.500  -5.040
  129    HD2  ARG  17           2HD      ARG  17   7.209  -1.503  -3.954
  130    HD3  ARG  17           1HD      ARG  17   6.660  -3.178  -3.956
  131    HE   ARG  17           HE       ARG  17   6.595  -2.209  -6.585
  132   HH11  ARG  17          2HH1      ARG  17   8.912  -3.029  -4.106
  133   HH12  ARG  17          1HH1      ARG  17  10.158  -3.449  -5.235
  134   HH21  ARG  17          2HH2      ARG  17   8.231  -2.761  -8.070
  135   HH22  ARG  17          1HH2      ARG  17   9.772  -3.296  -7.484
  136    H    SER  18           H        SER  18   2.597  -2.048  -4.451
  137    HA   SER  18           HA       SER  18   1.930  -3.263  -6.911
  138    HB2  SER  18           2HB      SER  18   0.616  -4.853  -5.514
  139    HB3  SER  18           1HB      SER  18   2.259  -4.613  -4.921
  140    HG   SER  18           HG       SER  18   0.068  -3.123  -3.932
  141    H    SER  19           H        SER  19  -0.477  -4.097  -7.146
  142    HA   SER  19           HA       SER  19  -2.018  -1.810  -7.834
  143    HB2  SER  19           2HB      SER  19  -2.797  -4.734  -7.764
  144    HB3  SER  19           1HB      SER  19  -3.734  -3.450  -8.525
  145    HG   SER  19           HG       SER  19  -1.049  -4.018  -9.219
  146    H    ILE  20           H        ILE  20  -1.634  -3.457  -4.911
  147    HA   ILE  20           HA       ILE  20  -4.193  -3.437  -3.808
  148    HB   ILE  20           HB       ILE  20  -1.609  -2.913  -2.334
  149   HG12  ILE  20          2HG1      ILE  20  -1.378  -4.950  -3.610
  150   HG13  ILE  20          1HG1      ILE  20  -1.640  -5.377  -1.922
  151   HG21  ILE  20          1HG2      ILE  20  -4.302  -3.907  -1.419
  152   HG22  ILE  20          2HG2      ILE  20  -3.491  -2.414  -0.945
  153   HG23  ILE  20          3HG2      ILE  20  -2.839  -3.970  -0.439
  154   HD11  ILE  20          3HD1      ILE  20  -3.653  -5.488  -4.153
  155   HD12  ILE  20          1HD1      ILE  20  -4.026  -5.778  -2.454
  156   HD13  ILE  20          2HD1      ILE  20  -2.914  -6.848  -3.308
  157    H    ALA  21           H        ALA  21  -5.095  -1.964  -2.200
  158    HA   ALA  21           HA       ALA  21  -5.408   0.625  -3.089
  159    HB1  ALA  21           1HB      ALA  21  -6.420   1.117  -0.936
  160    HB2  ALA  21           2HB      ALA  21  -5.699  -0.337  -0.246
  161    HB3  ALA  21           3HB      ALA  21  -6.923  -0.474  -1.508
  162    H    TYR  22           H        TYR  22  -4.144   2.347  -3.114
  163    HA   TYR  22           HA       TYR  22  -1.684   2.343  -1.555
  164    HB2  TYR  22           2HB      TYR  22  -0.991   4.195  -2.974
  165    HB3  TYR  22           1HB      TYR  22  -1.590   2.870  -3.968
  166    HD1  TYR  22           2HD      TYR  22  -3.910   3.043  -4.945
  167    HD2  TYR  22           1HD      TYR  22  -1.973   6.338  -3.078
  168    HE1  TYR  22           2HE      TYR  22  -5.472   4.583  -6.056
  169    HE2  TYR  22           1HE      TYR  22  -3.531   7.887  -4.181
  170    HH   TYR  22           HH       TYR  22  -4.982   7.937  -6.165
  171    H    GLY  23           H        GLY  23  -0.979   4.344  -0.480
  172    HA2  GLY  23           2HA      GLY  23  -1.348   6.273   0.775
  173    HA3  GLY  23           1HA      GLY  23  -3.043   6.216   0.320
  174    H    GLY  24           H        GLY  24  -4.014   3.941   1.222
  175    HA2  GLY  24           2HA      GLY  24  -3.687   4.204   4.121
  176    HA3  GLY  24           1HA      GLY  24  -5.037   3.437   3.297
  177    H    GLY  25           H        GLY  25  -5.110   1.299   3.436
  178    HA2  GLY  25           2HA      GLY  25  -3.286  -0.573   2.805
  179    HA3  GLY  25           1HA      GLY  25  -2.809  -0.146   4.441
  Start of MODEL    3
    1    H1   GLY   1           1HT      GLY   1 -13.825  -2.136   0.071
    2    H2   GLY   1           2HT      GLY   1 -15.089  -3.118  -0.472
    3    H3   GLY   1           3HT      GLY   1 -13.673  -2.981  -1.387
    4    HA2  GLY   1           1HA      GLY   1 -13.894  -4.217   1.304
    5    HA3  GLY   1           2HA      GLY   1 -13.726  -5.090  -0.212
    6    H    VAL   2           H        VAL   2 -12.018  -4.891   2.258
    7    HA   VAL   2           HA       VAL   2  -9.576  -3.696   1.202
    8    HB   VAL   2           HB       VAL   2 -10.131  -3.297   3.559
    9   HG11  VAL   2          1HG1      VAL   2  -9.975  -5.129   5.190
   10   HG12  VAL   2          2HG1      VAL   2  -9.809  -6.280   3.865
   11   HG13  VAL   2          3HG1      VAL   2 -11.303  -5.362   4.054
   12   HG21  VAL   2          3HG2      VAL   2  -7.957  -3.897   4.520
   13   HG22  VAL   2          1HG2      VAL   2  -7.794  -3.268   2.879
   14   HG23  VAL   2          2HG2      VAL   2  -7.673  -5.002   3.175
   15    H    VAL   3           H        VAL   3  -7.881  -4.815   0.427
   16    HA   VAL   3           HA       VAL   3  -8.175  -7.727   0.229
   17    HB   VAL   3           HB       VAL   3  -6.511  -7.601  -1.580
   18   HG11  VAL   3          1HG1      VAL   3  -8.873  -7.426  -2.131
   19   HG12  VAL   3          2HG1      VAL   3  -7.906  -6.428  -3.217
   20   HG13  VAL   3          3HG1      VAL   3  -8.810  -5.678  -1.903
   21   HG21  VAL   3          3HG2      VAL   3  -5.727  -5.474  -2.421
   22   HG22  VAL   3          1HG2      VAL   3  -5.280  -5.644  -0.723
   23   HG23  VAL   3          2HG2      VAL   3  -6.638  -4.616  -1.178
   24    H    ARG   4           H        ARG   4  -5.729  -8.678  -0.118
   25    HA   ARG   4           HA       ARG   4  -4.602  -8.567   2.504
   26    HB2  ARG   4           2HB      ARG   4  -3.537  -9.938   0.031
   27    HB3  ARG   4           1HB      ARG   4  -3.033 -10.246   1.687
   28    HG2  ARG   4           2HG      ARG   4  -5.728 -10.812   0.473
   29    HG3  ARG   4           1HG      ARG   4  -4.520 -11.986   1.003
   30    HD2  ARG   4           2HD      ARG   4  -5.930 -10.016   2.798
   31    HD3  ARG   4           1HD      ARG   4  -6.376 -11.712   2.613
   32    HE   ARG   4           HE       ARG   4  -3.671 -11.577   3.317
   33   HH11  ARG   4          1HH1      ARG   4  -6.805 -10.920   4.702
   34   HH12  ARG   4          2HH1      ARG   4  -6.292 -11.234   6.327
   35   HH21  ARG   4          1HH2      ARG   4  -2.993 -11.991   5.450
   36   HH22  ARG   4          2HH2      ARG   4  -4.127 -11.842   6.751
   37    H    GLN   5           H        GLN   5  -2.575  -7.869   3.145
   38    HA   GLN   5           HA       GLN   5  -1.422  -5.774   1.452
   39    HB2  GLN   5           2HB      GLN   5  -2.107  -5.078   3.684
   40    HB3  GLN   5           1HB      GLN   5  -1.110  -6.332   4.408
   41    HG2  GLN   5           2HG      GLN   5   0.894  -5.239   3.557
   42    HG3  GLN   5           1HG      GLN   5  -0.098  -3.990   2.807
   43   HE21  GLN   5          1HE2      GLN   5   1.130  -5.278   5.789
   44   HE22  GLN   5          2HE2      GLN   5   0.729  -3.920   6.778
   45    H    TRP   6           H        TRP   6   0.941  -5.527   1.439
   46    HA   TRP   6           HA       TRP   6   2.640  -7.661   2.231
   47    HB2  TRP   6           2HB      TRP   6   3.190  -8.631   0.116
   48    HB3  TRP   6           1HB      TRP   6   1.436  -8.655   0.244
   49    HD1  TRP   6           HD       TRP   6   0.489  -6.007  -0.858
   50    HE1  TRP   6           1HE      TRP   6   0.963  -5.254  -3.273
   51    HE3  TRP   6           3HE      TRP   6   4.545  -8.954  -1.843
   52    HZ2  TRP   6           2HZ      TRP   6   2.814  -5.831  -5.324
   53    HZ3  TRP   6           3HZ      TRP   6   5.610  -8.794  -4.057
   54    HH2  TRP   6           HH       TRP   6   4.762  -7.264  -5.760
   55    H    SER   7           H        SER   7   4.659  -7.305   0.258
   56    HA   SER   7           HA       SER   7   6.009  -5.087   1.247
   57    HB2  SER   7           2HB      SER   7   7.159  -6.952   0.165
   58    HB3  SER   7           1HB      SER   7   6.430  -6.525  -1.383
   59    HG   SER   7           HG       SER   7   8.668  -5.589  -0.310
   60    H    GLY   8           H        GLY   8   3.549  -5.217  -1.143
   61    HA2  GLY   8           2HA      GLY   8   4.067  -3.210  -2.908
   62    HA3  GLY   8           1HA      GLY   8   2.471  -3.503  -2.239
   63    H    TYR   9           H        TYR   9   3.404  -2.823   0.498
   64    HA   TYR   9           HA       TYR   9   2.955   0.015   0.298
   65    HB2  TYR   9           2HB      TYR   9   1.845  -1.212   2.071
   66    HB3  TYR   9           1HB      TYR   9   3.390  -1.785   2.691
   67    HD1  TYR   9           2HD      TYR   9   1.738   1.477   1.880
   68    HD2  TYR   9           1HD      TYR   9   4.214  -0.717   4.557
   69    HE1  TYR   9           2HE      TYR   9   1.866   3.436   3.359
   70    HE2  TYR   9           1HE      TYR   9   4.350   1.237   6.042
   71    HH   TYR   9           HH       TYR   9   4.099   3.680   5.900
   72    H    ASP  10           H        ASP  10   4.518   1.439   0.002
   73    HA   ASP  10           HA       ASP  10   7.236   0.768   0.897
   74    HB2  ASP  10           2HB      ASP  10   6.313   2.714  -1.224
   75    HB3  ASP  10           1HB      ASP  10   7.990   2.462  -0.751
   76    HA   PRO  11           HA       PRO  11   5.995   3.920   4.000
   77    HB2  PRO  11           2HB      PRO  11   8.197   3.335   5.592
   78    HB3  PRO  11           1HB      PRO  11   6.605   2.570   5.741
   79    HG2  PRO  11           2HG      PRO  11   9.059   1.566   4.411
   80    HG3  PRO  11           1HG      PRO  11   7.833   0.688   5.345
   81    HD2  PRO  11           2HD      PRO  11   7.908   0.579   2.665
   82    HD3  PRO  11           1HD      PRO  11   6.376   0.546   3.563
   83    H    ARG  12           H        ARG  12   8.892   3.393   2.171
   84    HA   ARG  12           HA       ARG  12  10.307   5.717   2.995
   85    HB2  ARG  12           2HB      ARG  12  10.560   4.313   0.334
   86    HB3  ARG  12           1HB      ARG  12  11.775   5.283   1.154
   87    HG2  ARG  12           2HG      ARG  12  11.933   3.594   2.916
   88    HG3  ARG  12           1HG      ARG  12  10.722   2.619   2.080
   89    HD2  ARG  12           2HD      ARG  12  12.258   2.621   0.086
   90    HD3  ARG  12           1HD      ARG  12  13.484   3.345   1.128
   91    HE   ARG  12           HE       ARG  12  12.340   0.911   2.157
   92   HH11  ARG  12          2HH1      ARG  12  14.844   2.291   0.156
   93   HH12  ARG  12          1HH1      ARG  12  15.895   0.923   0.311
   94   HH21  ARG  12          1HH2      ARG  12  13.723  -0.888   2.364
   95   HH22  ARG  12          2HH2      ARG  12  15.259  -0.881   1.563
   96    H    THR  13           H        THR  13   8.134   4.995   0.294
   97    HA   THR  13           HA       THR  13   8.169   7.824  -0.461
   98    HB   THR  13           HB       THR  13   7.256   7.194  -2.582
   99    HG1  THR  13           1HG      THR  13   5.792   5.604  -2.066
  100   HG21  THR  13          3HG2      THR  13   9.352   5.179  -1.751
  101   HG22  THR  13          1HG2      THR  13   9.657   6.813  -2.346
  102   HG23  THR  13          2HG2      THR  13   8.941   5.605  -3.414
  103    H    GLY  14           H        GLY  14   6.605   6.278   1.736
  104    HA2  GLY  14           2HA      GLY  14   4.502   6.317   2.672
  105    HA3  GLY  14           1HA      GLY  14   4.462   7.951   2.033
  106    H    THR  15           H        THR  15   4.661   5.181  -0.077
  107    HA   THR  15           HA       THR  15   1.799   5.217  -0.593
  108    HB   THR  15           HB       THR  15   2.103   5.525  -3.025
  109    HG1  THR  15           1HG      THR  15   4.151   6.372  -3.724
  110   HG21  THR  15          3HG2      THR  15   2.507   7.944  -2.980
  111   HG22  THR  15          1HG2      THR  15   3.181   7.801  -1.357
  112   HG23  THR  15          2HG2      THR  15   1.477   7.441  -1.639
  113    H    TRP  16           H        TRP  16   1.070   3.432  -1.857
  114    HA   TRP  16           HA       TRP  16   2.703   1.080  -1.476
  115    HB2  TRP  16           2HB      TRP  16  -0.083   1.415  -2.605
  116    HB3  TRP  16           1HB      TRP  16   0.692  -0.133  -2.278
  117    HD1  TRP  16           HD       TRP  16   0.169   3.068  -0.118
  118    HE1  TRP  16           1HE      TRP  16  -0.747   2.325   2.169
  119    HE3  TRP  16           3HE      TRP  16  -0.043  -1.974  -0.926
  120    HZ2  TRP  16           2HZ      TRP  16  -1.464  -0.081   3.461
  121    HZ3  TRP  16           3HZ      TRP  16  -0.855  -3.425   0.885
  122    HH2  TRP  16           HH       TRP  16  -1.551  -2.498   3.033
  123    H    ARG  17           H        ARG  17   2.261  -0.600  -3.460
  124    HA   ARG  17           HA       ARG  17   3.720   0.596  -5.665
  125    HB2  ARG  17           2HB      ARG  17   3.015  -2.254  -4.985
  126    HB3  ARG  17           1HB      ARG  17   3.819  -1.804  -6.482
  127    HG2  ARG  17           2HG      ARG  17   4.876  -1.268  -3.714
  128    HG3  ARG  17           1HG      ARG  17   5.385  -2.589  -4.767
  129    HD2  ARG  17           2HD      ARG  17   6.135  -0.949  -6.435
  130    HD3  ARG  17           1HD      ARG  17   5.656   0.358  -5.352
  131    HE   ARG  17           HE       ARG  17   7.423  -1.328  -3.985
  132   HH11  ARG  17          2HH1      ARG  17   7.431   0.919  -6.657
  133   HH12  ARG  17          1HH1      ARG  17   9.092   1.358  -6.446
  134   HH21  ARG  17          2HH2      ARG  17   9.609  -0.750  -3.706
  135   HH22  ARG  17          1HH2      ARG  17  10.329   0.411  -4.771
  136    H    SER  18           H        SER  18   1.223  -1.912  -5.866
  137    HA   SER  18           HA       SER  18  -0.668  -0.303  -7.230
  138    HB2  SER  18           2HB      SER  18   0.988  -0.371  -9.029
  139    HB3  SER  18           1HB      SER  18   1.016  -2.133  -8.956
  140    HG   SER  18           HG       SER  18  -1.209  -2.094  -9.550
  141    H    SER  19           H        SER  19   0.630  -3.564  -6.787
  142    HA   SER  19           HA       SER  19  -1.566  -5.096  -7.419
  143    HB2  SER  19           2HB      SER  19   0.599  -6.068  -6.829
  144    HB3  SER  19           1HB      SER  19   0.395  -5.545  -5.157
  145    HG   SER  19           HG       SER  19  -1.441  -6.918  -5.046
  146    H    ILE  20           H        ILE  20  -0.940  -3.302  -4.459
  147    HA   ILE  20           HA       ILE  20  -3.673  -3.956  -3.561
  148    HB   ILE  20           HB       ILE  20  -1.337  -3.223  -1.790
  149   HG12  ILE  20          2HG1      ILE  20  -0.949  -5.413  -2.760
  150   HG13  ILE  20          1HG1      ILE  20  -1.420  -5.602  -1.075
  151   HG21  ILE  20          1HG2      ILE  20  -2.866  -4.049   0.009
  152   HG22  ILE  20          2HG2      ILE  20  -4.152  -4.105  -1.194
  153   HG23  ILE  20          3HG2      ILE  20  -3.399  -2.566  -0.784
  154   HD11  ILE  20          3HD1      ILE  20  -2.493  -7.265  -2.464
  155   HD12  ILE  20          1HD1      ILE  20  -3.199  -6.000  -3.467
  156   HD13  ILE  20          2HD1      ILE  20  -3.692  -6.165  -1.783
  157    H    ALA  21           H        ALA  21  -4.782  -2.264  -2.363
  158    HA   ALA  21           HA       ALA  21  -4.912   0.158  -3.650
  159    HB1  ALA  21           1HB      ALA  21  -6.646  -0.685  -2.141
  160    HB2  ALA  21           2HB      ALA  21  -6.198   0.976  -1.754
  161    HB3  ALA  21           3HB      ALA  21  -5.600  -0.352  -0.760
  162    H    TYR  22           H        TYR  22  -3.860   2.059  -3.581
  163    HA   TYR  22           HA       TYR  22  -1.598   2.271  -1.720
  164    HB2  TYR  22           2HB      TYR  22  -0.631   3.862  -3.309
  165    HB3  TYR  22           1HB      TYR  22  -1.012   2.339  -4.105
  166    HD1  TYR  22           1HD      TYR  22  -3.037   2.195  -5.570
  167    HD2  TYR  22           2HD      TYR  22  -1.635   5.893  -4.005
  168    HE1  TYR  22           1HE      TYR  22  -4.356   3.402  -7.258
  169    HE2  TYR  22           2HE      TYR  22  -2.952   7.111  -5.687
  170    HH   TYR  22           HH       TYR  22  -5.350   5.626  -7.574
  171    H    GLY  23           H        GLY  23  -1.038   4.472  -0.978
  172    HA2  GLY  23           2HA      GLY  23  -1.585   6.599  -0.196
  173    HA3  GLY  23           1HA      GLY  23  -3.177   6.425  -0.917
  174    H    GLY  24           H        GLY  24  -1.479   4.399   1.462
  175    HA2  GLY  24           2HA      GLY  24  -2.092   4.785   3.860
  176    HA3  GLY  24           1HA      GLY  24  -3.752   4.869   3.292
  177    H    GLY  25           H        GLY  25  -4.855   2.985   2.783
  178    HA2  GLY  25           2HA      GLY  25  -4.957   0.632   2.361
  179    HA3  GLY  25           1HA      GLY  25  -3.408   0.454   3.171
  Start of MODEL    4
    1    H1   GLY   1           1HT      GLY   1  -9.024  -3.890  -6.728
    2    H2   GLY   1           2HT      GLY   1 -10.404  -4.767  -7.160
    3    H3   GLY   1           3HT      GLY   1  -9.006  -5.581  -6.666
    4    HA2  GLY   1           1HA      GLY   1 -10.677  -3.811  -4.967
    5    HA3  GLY   1           2HA      GLY   1 -10.659  -5.566  -4.903
    6    H    VAL   2           H        VAL   2 -10.202  -4.508  -2.581
    7    HA   VAL   2           HA       VAL   2  -7.320  -4.865  -2.182
    8    HB   VAL   2           HB       VAL   2  -7.687  -2.453  -2.151
    9   HG11  VAL   2          1HG1      VAL   2  -9.493  -2.809   0.223
   10   HG12  VAL   2          2HG1      VAL   2 -10.115  -2.685  -1.422
   11   HG13  VAL   2          3HG1      VAL   2  -9.193  -1.352  -0.725
   12   HG21  VAL   2          3HG2      VAL   2  -6.005  -3.415  -0.655
   13   HG22  VAL   2          1HG2      VAL   2  -7.216  -3.554   0.619
   14   HG23  VAL   2          2HG2      VAL   2  -6.729  -1.963   0.034
   15    H    VAL   3           H        VAL   3  -7.307  -6.741  -1.102
   16    HA   VAL   3           HA       VAL   3  -8.474  -6.833   1.531
   17    HB   VAL   3           HB       VAL   3  -9.646  -8.998   1.151
   18   HG11  VAL   3          1HG1      VAL   3 -10.861  -6.852   1.238
   19   HG12  VAL   3          2HG1      VAL   3 -11.655  -8.042   0.207
   20   HG13  VAL   3          3HG1      VAL   3 -10.726  -6.729  -0.517
   21   HG21  VAL   3          3HG2      VAL   3  -9.227  -8.333  -1.762
   22   HG22  VAL   3          1HG2      VAL   3 -10.245  -9.632  -1.141
   23   HG23  VAL   3          2HG2      VAL   3  -8.500  -9.680  -0.886
   24    H    ARG   4           H        ARG   4  -5.843  -6.900   0.396
   25    HA   ARG   4           HA       ARG   4  -4.740  -9.024   1.905
   26    HB2  ARG   4           2HB      ARG   4  -3.604 -10.153  -0.078
   27    HB3  ARG   4           1HB      ARG   4  -5.309 -10.507   0.166
   28    HG2  ARG   4           2HG      ARG   4  -5.898  -8.901  -1.574
   29    HG3  ARG   4           1HG      ARG   4  -4.187  -8.538  -1.817
   30    HD2  ARG   4           2HD      ARG   4  -5.509 -11.219  -2.223
   31    HD3  ARG   4           1HD      ARG   4  -5.014 -10.107  -3.498
   32    HE   ARG   4           HE       ARG   4  -2.751 -10.591  -2.009
   33   HH11  ARG   4          1HH1      ARG   4  -5.013 -12.509  -3.847
   34   HH12  ARG   4          2HH1      ARG   4  -3.840 -13.711  -4.273
   35   HH21  ARG   4          1HH2      ARG   4  -1.207 -12.169  -2.567
   36   HH22  ARG   4          2HH2      ARG   4  -1.680 -13.518  -3.546
   37    H    GLN   5           H        GLN   5  -3.041  -8.033   2.750
   38    HA   GLN   5           HA       GLN   5  -1.573  -6.081   1.131
   39    HB2  GLN   5           2HB      GLN   5  -2.332  -5.207   3.235
   40    HB3  GLN   5           1HB      GLN   5  -1.655  -6.574   4.108
   41    HG2  GLN   5           2HG      GLN   5   0.583  -5.848   3.605
   42    HG3  GLN   5           1HG      GLN   5  -0.031  -4.548   2.586
   43   HE21  GLN   5          1HE2      GLN   5   0.988  -2.962   3.794
   44   HE22  GLN   5          2HE2      GLN   5   0.447  -2.507   5.371
   45    H    TRP   6           H        TRP   6   0.790  -6.008   1.369
   46    HA   TRP   6           HA       TRP   6   2.125  -8.455   2.150
   47    HB2  TRP   6           2HB      TRP   6   3.045  -8.971  -0.010
   48    HB3  TRP   6           1HB      TRP   6   1.303  -8.829  -0.201
   49    HD1  TRP   6           HD       TRP   6   0.554  -6.167  -1.022
   50    HE1  TRP   6           1HE      TRP   6   1.614  -4.825  -2.945
   51    HE3  TRP   6           3HE      TRP   6   5.021  -8.627  -1.351
   52    HZ2  TRP   6           2HZ      TRP   6   4.031  -4.814  -4.410
   53    HZ3  TRP   6           3HZ      TRP   6   6.652  -7.889  -3.040
   54    HH2  TRP   6           HH       TRP   6   6.166  -6.023  -4.536
   55    H    SER   7           H        SER   7   4.498  -7.741   0.502
   56    HA   SER   7           HA       SER   7   5.472  -5.600   2.229
   57    HB2  SER   7           2HB      SER   7   6.800  -7.652   2.134
   58    HB3  SER   7           1HB      SER   7   6.961  -7.486   0.387
   59    HG   SER   7           HG       SER   7   8.362  -5.884   0.648
   60    H    GLY   8           H        GLY   8   3.698  -4.924   0.051
   61    HA2  GLY   8           2HA      GLY   8   5.417  -3.725  -1.975
   62    HA3  GLY   8           1HA      GLY   8   3.662  -3.738  -1.976
   63    H    TYR   9           H        TYR   9   3.525  -2.759   0.804
   64    HA   TYR   9           HA       TYR   9   3.245  -0.042   0.329
   65    HB2  TYR   9           2HB      TYR   9   2.172  -1.151   2.216
   66    HB3  TYR   9           1HB      TYR   9   3.739  -1.453   2.959
   67    HD1  TYR   9           1HD      TYR   9   1.611   1.369   1.756
   68    HD2  TYR   9           2HD      TYR   9   4.532   0.037   4.546
   69    HE1  TYR   9           1HE      TYR   9   1.454   3.521   2.938
   70    HE2  TYR   9           2HE      TYR   9   4.385   2.184   5.736
   71    HH   TYR   9           HH       TYR   9   3.709   4.510   5.263
   72    H    ASP  10           H        ASP  10   4.728   1.427  -0.144
   73    HA   ASP  10           HA       ASP  10   7.466   1.064   0.835
   74    HB2  ASP  10           2HB      ASP  10   7.174   1.343  -1.595
   75    HB3  ASP  10           1HB      ASP  10   6.411   2.907  -1.320
   76    HA   PRO  11           HA       PRO  11   6.305   4.289   3.800
   77    HB2  PRO  11           2HB      PRO  11   8.979   3.800   4.899
   78    HB3  PRO  11           1HB      PRO  11   7.397   3.572   5.664
   79    HG2  PRO  11           2HG      PRO  11   8.989   1.519   4.965
   80    HG3  PRO  11           1HG      PRO  11   7.218   1.414   4.985
   81    HD2  PRO  11           2HD      PRO  11   9.065   1.723   2.666
   82    HD3  PRO  11           1HD      PRO  11   7.558   0.795   2.799
   83    H    ARG  12           H        ARG  12   9.409   3.944   2.162
   84    HA   ARG  12           HA       ARG  12  10.483   6.459   2.585
   85    HB2  ARG  12           2HB      ARG  12  10.681   4.754   0.096
   86    HB3  ARG  12           1HB      ARG  12  11.744   6.096   0.491
   87    HG2  ARG  12           2HG      ARG  12  12.544   4.914   2.454
   88    HG3  ARG  12           1HG      ARG  12  11.438   3.581   2.118
   89    HD2  ARG  12           2HD      ARG  12  13.679   4.508   0.325
   90    HD3  ARG  12           1HD      ARG  12  13.719   3.087   1.368
   91    HE   ARG  12           HE       ARG  12  11.505   3.000  -0.409
   92   HH11  ARG  12          2HH1      ARG  12  14.958   2.517  -0.260
   93   HH12  ARG  12          1HH1      ARG  12  14.984   1.393  -1.576
   94   HH21  ARG  12          1HH2      ARG  12  11.537   1.520  -2.142
   95   HH22  ARG  12          2HH2      ARG  12  13.042   0.827  -2.645
   96    H    THR  13           H        THR  13   7.917   5.484   0.418
   97    HA   THR  13           HA       THR  13   7.698   8.277  -0.483
   98    HB   THR  13           HB       THR  13   6.629   7.465  -2.546
   99    HG1  THR  13           1HG      THR  13   7.154   4.938  -1.361
  100   HG21  THR  13          3HG2      THR  13   9.329   6.218  -2.011
  101   HG22  THR  13          1HG2      THR  13   9.037   7.872  -2.551
  102   HG23  THR  13          2HG2      THR  13   8.632   6.517  -3.603
  103    H    GLY  14           H        GLY  14   6.417   6.393   1.684
  104    HA2  GLY  14           2HA      GLY  14   4.341   6.073   2.639
  105    HA3  GLY  14           1HA      GLY  14   4.132   7.763   2.213
  106    H    THR  15           H        THR  15   4.487   5.255  -0.205
  107    HA   THR  15           HA       THR  15   1.608   5.201  -0.674
  108    HB   THR  15           HB       THR  15   1.917   5.640  -3.100
  109    HG1  THR  15           1HG      THR  15   3.932   6.688  -3.680
  110   HG21  THR  15          3HG2      THR  15   1.145   7.432  -1.641
  111   HG22  THR  15          1HG2      THR  15   2.198   8.078  -2.901
  112   HG23  THR  15          2HG2      THR  15   2.812   7.863  -1.261
  113    H    TRP  16           H        TRP  16   0.903   3.457  -1.966
  114    HA   TRP  16           HA       TRP  16   2.600   1.134  -1.775
  115    HB2  TRP  16           2HB      TRP  16  -0.213   1.484  -2.825
  116    HB3  TRP  16           1HB      TRP  16   0.596  -0.068  -2.637
  117    HD1  TRP  16           HD       TRP  16  -0.197   2.959  -0.321
  118    HE1  TRP  16           1HE      TRP  16  -0.933   2.031   1.962
  119    HE3  TRP  16           3HE      TRP  16   0.306  -2.040  -1.275
  120    HZ2  TRP  16           2HZ      TRP  16  -1.257  -0.484   3.197
  121    HZ3  TRP  16           3HZ      TRP  16  -0.237  -3.640   0.514
  122    HH2  TRP  16           HH       TRP  16  -1.003  -2.876   2.703
  123    H    ARG  17           H        ARG  17   2.446  -0.437  -3.762
  124    HA   ARG  17           HA       ARG  17   2.929   1.078  -6.231
  125    HB2  ARG  17           2HB      ARG  17   4.836  -0.431  -6.734
  126    HB3  ARG  17           1HB      ARG  17   5.108   0.589  -5.328
  127    HG2  ARG  17           2HG      ARG  17   4.553  -1.287  -3.861
  128    HG3  ARG  17           1HG      ARG  17   4.292  -2.310  -5.276
  129    HD2  ARG  17           2HD      ARG  17   6.505  -2.677  -4.313
  130    HD3  ARG  17           1HD      ARG  17   6.617  -2.003  -5.939
  131    HE   ARG  17           HE       ARG  17   6.683   0.105  -4.101
  132   HH11  ARG  17          2HH1      ARG  17   8.646  -2.605  -5.095
  133   HH12  ARG  17          1HH1      ARG  17  10.139  -1.836  -4.674
  134   HH21  ARG  17          2HH2      ARG  17   8.646   1.117  -3.546
  135   HH22  ARG  17          1HH2      ARG  17  10.141   0.276  -3.794
  136    H    SER  18           H        SER  18   2.286  -2.089  -4.806
  137    HA   SER  18           HA       SER  18   1.663  -3.405  -7.226
  138    HB2  SER  18           2HB      SER  18   2.209  -4.596  -5.123
  139    HB3  SER  18           1HB      SER  18   0.682  -4.045  -4.435
  140    HG   SER  18           HG       SER  18   0.590  -6.180  -5.337
  141    H    SER  19           H        SER  19  -0.750  -4.579  -6.995
  142    HA   SER  19           HA       SER  19  -2.516  -2.563  -7.932
  143    HB2  SER  19           2HB      SER  19  -3.067  -5.449  -7.202
  144    HB3  SER  19           1HB      SER  19  -4.170  -4.396  -8.089
  145    HG   SER  19           HG       SER  19  -1.532  -4.923  -8.967
  146    H    ILE  20           H        ILE  20  -1.736  -3.594  -4.802
  147    HA   ILE  20           HA       ILE  20  -4.211  -3.405  -3.491
  148    HB   ILE  20           HB       ILE  20  -1.496  -2.714  -2.360
  149   HG12  ILE  20          2HG1      ILE  20  -1.444  -4.947  -3.308
  150   HG13  ILE  20          1HG1      ILE  20  -1.500  -5.068  -1.551
  151   HG21  ILE  20          1HG2      ILE  20  -4.075  -3.519  -1.022
  152   HG22  ILE  20          2HG2      ILE  20  -3.298  -1.937  -0.948
  153   HG23  ILE  20          3HG2      ILE  20  -2.522  -3.336  -0.205
  154   HD11  ILE  20          3HD1      ILE  20  -3.889  -5.549  -1.664
  155   HD12  ILE  20          1HD1      ILE  20  -2.944  -6.712  -2.594
  156   HD13  ILE  20          2HD1      ILE  20  -3.829  -5.432  -3.423
  157    H    ALA  21           H        ALA  21  -5.100  -1.693  -2.234
  158    HA   ALA  21           HA       ALA  21  -5.285   0.764  -3.491
  159    HB1  ALA  21           1HB      ALA  21  -5.754   0.195  -0.567
  160    HB2  ALA  21           2HB      ALA  21  -6.920  -0.061  -1.866
  161    HB3  ALA  21           3HB      ALA  21  -6.379   1.572  -1.476
  162    H    TYR  22           H        TYR  22  -3.944   2.423  -3.677
  163    HA   TYR  22           HA       TYR  22  -1.574   2.530  -1.995
  164    HB2  TYR  22           2HB      TYR  22  -0.713   4.143  -3.593
  165    HB3  TYR  22           1HB      TYR  22  -1.334   2.733  -4.446
  166    HD1  TYR  22           2HD      TYR  22  -3.602   2.889  -5.554
  167    HD2  TYR  22           1HD      TYR  22  -1.561   6.297  -4.031
  168    HE1  TYR  22           2HE      TYR  22  -5.022   4.348  -6.933
  169    HE2  TYR  22           1HE      TYR  22  -2.978   7.766  -5.403
  170    HH   TYR  22           HH       TYR  22  -5.793   6.680  -6.955
  171    H    GLY  23           H        GLY  23  -0.816   4.641  -1.194
  172    HA2  GLY  23           2HA      GLY  23  -1.260   6.850  -0.418
  173    HA3  GLY  23           1HA      GLY  23  -2.980   6.528  -0.575
  174    H    GLY  24           H        GLY  24  -2.716   3.909   0.784
  175    HA2  GLY  24           2HA      GLY  24  -1.616   3.793   3.230
  176    HA3  GLY  24           1HA      GLY  24  -2.926   4.935   3.491
  177    H    GLY  25           H        GLY  25  -2.069   1.723   3.582
  178    HA2  GLY  25           2HA      GLY  25  -4.832   0.796   3.169
  179    HA3  GLY  25           1HA      GLY  25  -3.406  -0.230   3.178
  Start of MODEL    5
    1    H1   GLY   1           1HT      GLY   1 -13.064  -1.452  -2.154
    2    H2   GLY   1           2HT      GLY   1 -12.824  -0.526  -3.549
    3    H3   GLY   1           3HT      GLY   1 -11.880  -0.244  -2.176
    4    HA2  GLY   1           1HA      GLY   1 -11.855  -2.714  -3.823
    5    HA3  GLY   1           2HA      GLY   1 -10.625  -1.458  -3.847
    6    H    VAL   2           H        VAL   2 -12.125  -3.958  -1.871
    7    HA   VAL   2           HA       VAL   2  -9.979  -3.782   0.096
    8    HB   VAL   2           HB       VAL   2 -12.336  -5.671   0.041
    9   HG11  VAL   2          1HG1      VAL   2 -10.491  -6.467   1.412
   10   HG12  VAL   2          2HG1      VAL   2 -11.844  -5.967   2.425
   11   HG13  VAL   2          3HG1      VAL   2 -10.434  -4.920   2.260
   12   HG21  VAL   2          3HG2      VAL   2 -13.102  -3.365   0.135
   13   HG22  VAL   2          1HG2      VAL   2 -12.012  -3.041   1.481
   14   HG23  VAL   2          2HG2      VAL   2 -13.355  -4.163   1.686
   15    H    VAL   3           H        VAL   3  -8.249  -5.064   0.093
   16    HA   VAL   3           HA       VAL   3  -8.352  -7.699  -1.127
   17    HB   VAL   3           HB       VAL   3  -6.354  -7.327  -2.508
   18   HG11  VAL   3          1HG1      VAL   3  -8.549  -7.151  -3.540
   19   HG12  VAL   3          2HG1      VAL   3  -7.422  -6.015  -4.282
   20   HG13  VAL   3          3HG1      VAL   3  -8.624  -5.439  -3.125
   21   HG21  VAL   3          3HG2      VAL   3  -5.544  -5.072  -2.950
   22   HG22  VAL   3          1HG2      VAL   3  -5.401  -5.464  -1.237
   23   HG23  VAL   3          2HG2      VAL   3  -6.705  -4.416  -1.795
   24    H    ARG   4           H        ARG   4  -5.876  -8.565  -1.025
   25    HA   ARG   4           HA       ARG   4  -5.246  -8.473   1.799
   26    HB2  ARG   4           2HB      ARG   4  -3.989 -10.081  -0.431
   27    HB3  ARG   4           1HB      ARG   4  -3.684 -10.298   1.289
   28    HG2  ARG   4           2HG      ARG   4  -6.286 -10.758  -0.153
   29    HG3  ARG   4           1HG      ARG   4  -5.215 -11.983   0.531
   30    HD2  ARG   4           2HD      ARG   4  -6.647  -9.841   2.097
   31    HD3  ARG   4           1HD      ARG   4  -7.162 -11.522   1.967
   32    HE   ARG   4           HE       ARG   4  -4.528 -11.491   2.893
   33   HH11  ARG   4          1HH1      ARG   4  -7.707 -10.534   3.969
   34   HH12  ARG   4          2HH1      ARG   4  -7.343 -10.758   5.646
   35   HH21  ARG   4          1HH2      ARG   4  -4.049 -11.789   5.100
   36   HH22  ARG   4          2HH2      ARG   4  -5.267 -11.470   6.289
   37    H    GLN   5           H        GLN   5  -3.173  -8.019   2.654
   38    HA   GLN   5           HA       GLN   5  -1.717  -6.012   1.093
   39    HB2  GLN   5           2HB      GLN   5  -0.781  -5.289   3.241
   40    HB3  GLN   5           1HB      GLN   5  -2.539  -5.296   3.280
   41    HG2  GLN   5           2HG      GLN   5  -2.504  -7.431   4.466
   42    HG3  GLN   5           1HG      GLN   5  -0.742  -7.419   4.430
   43   HE21  GLN   5          1HE2      GLN   5   0.381  -5.970   5.732
   44   HE22  GLN   5          2HE2      GLN   5  -0.368  -5.160   7.061
   45    H    TRP   6           H        TRP   6   0.721  -5.920   1.872
   46    HA   TRP   6           HA       TRP   6   2.019  -8.370   2.441
   47    HB2  TRP   6           2HB      TRP   6   2.960  -8.936   0.316
   48    HB3  TRP   6           1HB      TRP   6   1.227  -8.768   0.079
   49    HD1  TRP   6           HD       TRP   6   0.652  -5.964  -0.663
   50    HE1  TRP   6           1HE      TRP   6   1.739  -4.741  -2.649
   51    HE3  TRP   6           3HE      TRP   6   4.830  -8.855  -1.190
   52    HZ2  TRP   6           2HZ      TRP   6   4.076  -4.976  -4.228
   53    HZ3  TRP   6           3HZ      TRP   6   6.441  -8.290  -2.960
   54    HH2  TRP   6           HH       TRP   6   6.070  -6.391  -4.448
   55    H    SER   7           H        SER   7   4.443  -7.798   0.968
   56    HA   SER   7           HA       SER   7   5.369  -5.545   2.576
   57    HB2  SER   7           2HB      SER   7   6.923  -7.628   1.023
   58    HB3  SER   7           1HB      SER   7   7.634  -6.383   2.048
   59    HG   SER   7           HG       SER   7   7.436  -8.318   3.196
   60    H    GLY   8           H        GLY   8   3.793  -4.852   0.352
   61    HA2  GLY   8           2HA      GLY   8   5.680  -3.959  -1.699
   62    HA3  GLY   8           1HA      GLY   8   3.929  -3.875  -1.795
   63    H    TYR   9           H        TYR   9   3.815  -2.705   0.949
   64    HA   TYR   9           HA       TYR   9   3.557  -0.041   0.332
   65    HB2  TYR   9           2HB      TYR   9   2.634  -0.951   2.374
   66    HB3  TYR   9           1HB      TYR   9   4.244  -1.293   2.997
   67    HD1  TYR   9           1HD      TYR   9   1.999   1.494   1.987
   68    HD2  TYR   9           2HD      TYR   9   5.396   0.310   4.259
   69    HE1  TYR   9           1HE      TYR   9   2.051   3.710   3.055
   70    HE2  TYR   9           2HE      TYR   9   5.458   2.521   5.332
   71    HH   TYR   9           HH       TYR   9   2.902   4.738   5.123
   72    H    ASP  10           H        ASP  10   4.954   1.450  -0.281
   73    HA   ASP  10           HA       ASP  10   7.784   1.129   0.410
   74    HB2  ASP  10           2HB      ASP  10   8.113   2.880  -1.391
   75    HB3  ASP  10           1HB      ASP  10   7.485   1.328  -1.941
   76    HA   PRO  11           HA       PRO  11   6.651   4.429   3.375
   77    HB2  PRO  11           2HB      PRO  11   8.933   4.086   4.877
   78    HB3  PRO  11           1HB      PRO  11   7.436   3.170   5.124
   79    HG2  PRO  11           2HG      PRO  11   9.921   2.370   3.707
   80    HG3  PRO  11           1HG      PRO  11   8.858   1.415   4.760
   81    HD2  PRO  11           2HD      PRO  11   8.790   1.197   2.074
   82    HD3  PRO  11           1HD      PRO  11   7.344   0.994   3.083
   83    H    ARG  12           H        ARG  12   9.336   3.946   1.276
   84    HA   ARG  12           HA       ARG  12  10.866   6.227   1.863
   85    HB2  ARG  12           2HB      ARG  12  10.513   4.778  -0.766
   86    HB3  ARG  12           1HB      ARG  12  11.772   5.955  -0.425
   87    HG2  ARG  12           2HG      ARG  12  12.678   4.504   1.310
   88    HG3  ARG  12           1HG      ARG  12  11.402   3.324   0.993
   89    HD2  ARG  12           2HD      ARG  12  13.491   4.234  -0.983
   90    HD3  ARG  12           1HD      ARG  12  13.510   2.710  -0.099
   91    HE   ARG  12           HE       ARG  12  11.089   2.952  -1.517
   92   HH11  ARG  12          2HH1      ARG  12  14.493   2.398  -2.052
   93   HH12  ARG  12          1HH1      ARG  12  14.245   1.487  -3.503
   94   HH21  ARG  12          1HH2      ARG  12  10.760   1.753  -3.426
   95   HH22  ARG  12          2HH2      ARG  12  12.125   1.121  -4.284
   96    H    THR  13           H        THR  13   8.113   5.727  -0.299
   97    HA   THR  13           HA       THR  13   7.952   8.648  -0.623
   98    HB   THR  13           HB       THR  13   6.900   8.320  -2.801
   99    HG1  THR  13           1HG      THR  13   6.928   6.139  -3.673
  100   HG21  THR  13          3HG2      THR  13   9.328   8.551  -2.743
  101   HG22  THR  13          1HG2      THR  13   8.845   7.449  -4.033
  102   HG23  THR  13          2HG2      THR  13   9.502   6.809  -2.526
  103    H    GLY  14           H        GLY  14   6.686   6.483   1.204
  104    HA2  GLY  14           2HA      GLY  14   4.645   6.067   2.182
  105    HA3  GLY  14           1HA      GLY  14   4.367   7.775   1.887
  106    H    THR  15           H        THR  15   4.437   4.780  -0.060
  107    HA   THR  15           HA       THR  15   1.681   5.149  -0.822
  108    HB   THR  15           HB       THR  15   2.151   5.154  -3.268
  109    HG1  THR  15           1HG      THR  15   4.804   5.831  -2.473
  110   HG21  THR  15          3HG2      THR  15   3.307   7.531  -1.807
  111   HG22  THR  15          1HG2      THR  15   1.586   7.232  -2.052
  112   HG23  THR  15          2HG2      THR  15   2.637   7.524  -3.438
  113    H    TRP  16           H        TRP  16   1.134   3.442  -2.608
  114    HA   TRP  16           HA       TRP  16   2.506   0.944  -1.864
  115    HB2  TRP  16           2HB      TRP  16  -0.384   1.526  -2.468
  116    HB3  TRP  16           1HB      TRP  16   0.261  -0.110  -2.567
  117    HD1  TRP  16           HD       TRP  16  -0.395   2.688  -0.005
  118    HE1  TRP  16           1HE      TRP  16  -0.508   1.628   2.337
  119    HE3  TRP  16           3HE      TRP  16   0.963  -2.093  -1.208
  120    HZ2  TRP  16           2HZ      TRP  16  -0.077  -0.899   3.519
  121    HZ3  TRP  16           3HZ      TRP  16   1.090  -3.770   0.588
  122    HH2  TRP  16           HH       TRP  16   0.581  -3.182   2.903
  123    H    ARG  17           H        ARG  17   3.709   0.138  -3.424
  124    HA   ARG  17           HA       ARG  17   3.582   1.024  -6.114
  125    HB2  ARG  17           2HB      ARG  17   5.303  -0.695  -6.530
  126    HB3  ARG  17           1HB      ARG  17   5.682   0.316  -5.145
  127    HG2  ARG  17           2HG      ARG  17   4.776  -1.487  -3.676
  128    HG3  ARG  17           1HG      ARG  17   4.632  -2.501  -5.114
  129    HD2  ARG  17           2HD      ARG  17   7.170  -1.292  -4.021
  130    HD3  ARG  17           1HD      ARG  17   6.695  -2.985  -3.928
  131    HE   ARG  17           HE       ARG  17   7.183  -3.236  -6.191
  132   HH11  ARG  17          2HH1      ARG  17   7.650   0.075  -5.176
  133   HH12  ARG  17          1HH1      ARG  17   8.547   0.508  -6.590
  134   HH21  ARG  17          2HH2      ARG  17   8.362  -2.661  -8.047
  135   HH22  ARG  17          1HH2      ARG  17   8.951  -1.041  -8.219
  136    H    SER  18           H        SER  18   2.629  -2.008  -4.544
  137    HA   SER  18           HA       SER  18   1.801  -3.306  -6.917
  138    HB2  SER  18           2HB      SER  18   0.663  -4.895  -5.414
  139    HB3  SER  18           1HB      SER  18   2.303  -4.553  -4.867
  140    HG   SER  18           HG       SER  18   1.295  -2.961  -3.440
  141    H    SER  19           H        SER  19  -0.525  -4.072  -7.193
  142    HA   SER  19           HA       SER  19  -2.157  -1.842  -7.722
  143    HB2  SER  19           2HB      SER  19  -2.902  -4.773  -7.581
  144    HB3  SER  19           1HB      SER  19  -3.893  -3.504  -8.299
  145    HG   SER  19           HG       SER  19  -2.588  -4.681  -9.824
  146    H    ILE  20           H        ILE  20  -1.669  -3.640  -4.860
  147    HA   ILE  20           HA       ILE  20  -4.101  -3.604  -3.573
  148    HB   ILE  20           HB       ILE  20  -1.453  -2.961  -2.269
  149   HG12  ILE  20          2HG1      ILE  20  -1.212  -4.997  -3.553
  150   HG13  ILE  20          1HG1      ILE  20  -1.340  -5.420  -1.849
  151   HG21  ILE  20          1HG2      ILE  20  -3.318  -2.540  -0.800
  152   HG22  ILE  20          2HG2      ILE  20  -2.491  -4.009  -0.284
  153   HG23  ILE  20          3HG2      ILE  20  -4.010  -4.119  -1.169
  154   HD11  ILE  20          3HD1      ILE  20  -3.521  -5.617  -3.911
  155   HD12  ILE  20          1HD1      ILE  20  -3.710  -5.974  -2.194
  156   HD13  ILE  20          2HD1      ILE  20  -2.627  -6.952  -3.185
  157    H    ALA  21           H        ALA  21  -5.034  -2.141  -2.017
  158    HA   ALA  21           HA       ALA  21  -5.463   0.421  -2.887
  159    HB1  ALA  21           1HB      ALA  21  -6.372   0.915  -0.688
  160    HB2  ALA  21           2HB      ALA  21  -5.560  -0.501  -0.018
  161    HB3  ALA  21           3HB      ALA  21  -6.847  -0.702  -1.207
  162    H    TYR  22           H        TYR  22  -4.321   2.237  -2.945
  163    HA   TYR  22           HA       TYR  22  -1.813   2.355  -1.436
  164    HB2  TYR  22           2HB      TYR  22  -1.115   4.072  -3.015
  165    HB3  TYR  22           1HB      TYR  22  -1.668   2.643  -3.882
  166    HD1  TYR  22           1HD      TYR  22  -4.009   2.668  -4.870
  167    HD2  TYR  22           2HD      TYR  22  -2.093   6.173  -3.408
  168    HE1  TYR  22           1HE      TYR  22  -5.573   4.055  -6.166
  169    HE2  TYR  22           2HE      TYR  22  -3.653   7.571  -4.696
  170    HH   TYR  22           HH       TYR  22  -5.095   7.373  -6.680
  171    H    GLY  23           H        GLY  23  -1.150   4.454  -0.550
  172    HA2  GLY  23           2HA      GLY  23  -1.500   6.228   0.864
  173    HA3  GLY  23           1HA      GLY  23  -2.893   6.605  -0.136
  174    H    GLY  24           H        GLY  24  -2.002   4.089   2.238
  175    HA2  GLY  24           2HA      GLY  24  -3.361   4.523   4.410
  176    HA3  GLY  24           1HA      GLY  24  -4.723   4.278   3.326
  177    H    GLY  25           H        GLY  25  -5.348   2.238   2.809
  178    HA2  GLY  25           2HA      GLY  25  -4.935  -0.096   2.481
  179    HA3  GLY  25           1HA      GLY  25  -3.592   0.019   3.607
  Start of MODEL    6
    1    H1   GLY   1           1HT      GLY   1 -14.454  -2.661  -1.303
    2    H2   GLY   1           2HT      GLY   1 -13.802  -3.520  -0.001
    3    H3   GLY   1           3HT      GLY   1 -13.203  -3.772  -1.561
    4    HA2  GLY   1           1HA      GLY   1 -12.363  -1.510  -1.643
    5    HA3  GLY   1           2HA      GLY   1 -12.993  -1.239  -0.026
    6    H    VAL   2           H        VAL   2 -12.284  -3.489   1.314
    7    HA   VAL   2           HA       VAL   2  -9.419  -3.130   1.547
    8    HB   VAL   2           HB       VAL   2 -11.240  -4.894   3.191
    9   HG11  VAL   2          1HG1      VAL   2  -8.886  -5.509   3.344
   10   HG12  VAL   2          2HG1      VAL   2  -9.447  -4.792   4.854
   11   HG13  VAL   2          3HG1      VAL   2  -8.466  -3.842   3.738
   12   HG21  VAL   2          3HG2      VAL   2 -11.217  -3.071   4.836
   13   HG22  VAL   2          1HG2      VAL   2 -11.966  -2.578   3.318
   14   HG23  VAL   2          2HG2      VAL   2 -10.322  -2.065   3.697
   15    H    VAL   3           H        VAL   3  -7.878  -4.777   1.407
   16    HA   VAL   3           HA       VAL   3  -8.686  -7.399   0.449
   17    HB   VAL   3           HB       VAL   3  -7.208  -7.318  -1.521
   18   HG11  VAL   3          1HG1      VAL   3  -8.653  -5.939  -2.941
   19   HG12  VAL   3          2HG1      VAL   3  -9.341  -5.184  -1.502
   20   HG13  VAL   3          3HG1      VAL   3  -9.589  -6.905  -1.801
   21   HG21  VAL   3          3HG2      VAL   3  -5.684  -5.570  -0.787
   22   HG22  VAL   3          1HG2      VAL   3  -6.982  -4.379  -0.879
   23   HG23  VAL   3          2HG2      VAL   3  -6.393  -5.156  -2.347
   24    H    ARG   4           H        ARG   4  -6.417  -8.569  -0.204
   25    HA   ARG   4           HA       ARG   4  -5.042  -8.847   2.244
   26    HB2  ARG   4           2HB      ARG   4  -3.542 -10.354   1.009
   27    HB3  ARG   4           1HB      ARG   4  -5.233 -10.693   0.665
   28    HG2  ARG   4           2HG      ARG   4  -5.070  -9.543  -1.456
   29    HG3  ARG   4           1HG      ARG   4  -3.399  -9.093  -1.107
   30    HD2  ARG   4           2HD      ARG   4  -3.533 -11.025  -2.616
   31    HD3  ARG   4           1HD      ARG   4  -2.747 -11.432  -1.090
   32    HE   ARG   4           HE       ARG   4  -5.477 -12.016  -0.873
   33   HH11  ARG   4          1HH1      ARG   4  -2.649 -13.136  -2.584
   34   HH12  ARG   4          2HH1      ARG   4  -3.219 -14.765  -2.715
   35   HH21  ARG   4          1HH2      ARG   4  -6.230 -14.159  -1.044
   36   HH22  ARG   4          2HH2      ARG   4  -5.253 -15.346  -1.842
   37    H    GLN   5           H        GLN   5  -3.145  -8.047   2.979
   38    HA   GLN   5           HA       GLN   5  -1.945  -5.882   1.409
   39    HB2  GLN   5           2HB      GLN   5  -1.011  -5.082   3.493
   40    HB3  GLN   5           1HB      GLN   5  -2.735  -5.361   3.696
   41    HG2  GLN   5           2HG      GLN   5  -2.255  -7.495   4.793
   42    HG3  GLN   5           1HG      GLN   5  -0.527  -7.195   4.604
   43   HE21  GLN   5          1HE2      GLN   5  -3.432  -6.293   6.283
   44   HE22  GLN   5          2HE2      GLN   5  -2.668  -5.379   7.536
   45    H    TRP   6           H        TRP   6   0.479  -5.599   1.793
   46    HA   TRP   6           HA       TRP   6   2.078  -7.854   2.397
   47    HB2  TRP   6           2HB      TRP   6   2.813  -8.536   0.221
   48    HB3  TRP   6           1HB      TRP   6   1.054  -8.560   0.204
   49    HD1  TRP   6           HD       TRP   6   0.049  -5.975  -0.742
   50    HE1  TRP   6           1HE      TRP   6   0.762  -4.839  -2.940
   51    HE3  TRP   6           3HE      TRP   6   4.521  -8.341  -1.458
   52    HZ2  TRP   6           2HZ      TRP   6   2.940  -4.932  -4.737
   53    HZ3  TRP   6           3HZ      TRP   6   5.859  -7.761  -3.439
   54    HH2  TRP   6           HH       TRP   6   5.084  -6.092  -5.045
   55    H    SER   7           H        SER   7   4.212  -7.173   0.512
   56    HA   SER   7           HA       SER   7   5.329  -4.980   1.963
   57    HB2  SER   7           2HB      SER   7   6.381  -6.482  -0.442
   58    HB3  SER   7           1HB      SER   7   7.307  -5.331   0.520
   59    HG   SER   7           HG       SER   7   6.679  -7.942   1.039
   60    H    GLY   8           H        GLY   8   3.126  -4.934  -0.468
   61    HA2  GLY   8           2HA      GLY   8   3.998  -3.200  -2.412
   62    HA3  GLY   8           1HA      GLY   8   2.353  -3.230  -1.797
   63    H    TYR   9           H        TYR   9   3.337  -2.481   0.924
   64    HA   TYR   9           HA       TYR   9   3.158   0.356   0.558
   65    HB2  TYR   9           2HB      TYR   9   2.065  -0.721   2.460
   66    HB3  TYR   9           1HB      TYR   9   3.622  -1.282   3.059
   67    HD1  TYR   9           1HD      TYR   9   1.538   1.716   2.488
   68    HD2  TYR   9           2HD      TYR   9   5.034   0.144   4.337
   69    HE1  TYR   9           1HE      TYR   9   1.778   3.791   3.787
   70    HE2  TYR   9           2HE      TYR   9   5.283   2.214   5.639
   71    HH   TYR   9           HH       TYR   9   4.602   4.567   5.509
   72    H    ASP  10           H        ASP  10   4.812   1.619   0.070
   73    HA   ASP  10           HA       ASP  10   7.502   0.828   0.967
   74    HB2  ASP  10           2HB      ASP  10   6.658   2.462  -1.431
   75    HB3  ASP  10           1HB      ASP  10   8.330   2.228  -0.931
   76    HA   PRO  11           HA       PRO  11   6.762   4.466   3.613
   77    HB2  PRO  11           2HB      PRO  11   9.121   4.083   5.018
   78    HB3  PRO  11           1HB      PRO  11   7.563   3.354   5.446
   79    HG2  PRO  11           2HG      PRO  11   9.866   2.164   3.999
   80    HG3  PRO  11           1HG      PRO  11   8.768   1.431   5.187
   81    HD2  PRO  11           2HD      PRO  11   8.535   0.948   2.555
   82    HD3  PRO  11           1HD      PRO  11   7.121   1.036   3.625
   83    H    ARG  12           H        ARG  12   9.514   3.590   1.656
   84    HA   ARG  12           HA       ARG  12  11.064   5.901   1.933
   85    HB2  ARG  12           2HB      ARG  12  11.979   5.296  -0.310
   86    HB3  ARG  12           1HB      ARG  12  11.982   3.970   0.842
   87    HG2  ARG  12           2HG      ARG  12   9.979   3.049  -0.199
   88    HG3  ARG  12           1HG      ARG  12   9.959   4.388  -1.347
   89    HD2  ARG  12           2HD      ARG  12  10.947   2.402  -2.352
   90    HD3  ARG  12           1HD      ARG  12  12.142   3.690  -2.199
   91    HE   ARG  12           HE       ARG  12  12.257   2.013   0.063
   92   HH11  ARG  12          2HH1      ARG  12  13.049   2.032  -3.337
   93   HH12  ARG  12          1HH1      ARG  12  14.341   0.892  -3.170
   94   HH21  ARG  12          1HH2      ARG  12  13.956   0.511   0.283
   95   HH22  ARG  12          2HH2      ARG  12  14.856   0.029  -1.115
   96    H    THR  13           H        THR  13   8.182   5.257   0.071
   97    HA   THR  13           HA       THR  13   8.231   8.045  -0.864
   98    HB   THR  13           HB       THR  13   6.878   7.338  -2.813
   99    HG1  THR  13           1HG      THR  13   6.355   5.259  -3.110
  100   HG21  THR  13          3HG2      THR  13   8.701   6.190  -4.031
  101   HG22  THR  13          1HG2      THR  13   9.530   5.928  -2.496
  102   HG23  THR  13          2HG2      THR  13   9.275   7.569  -3.092
  103    H    GLY  14           H        GLY  14   6.958   6.385   1.452
  104    HA2  GLY  14           2HA      GLY  14   4.976   6.357   2.625
  105    HA3  GLY  14           1HA      GLY  14   4.840   8.011   2.053
  106    H    THR  15           H        THR  15   4.835   5.311  -0.158
  107    HA   THR  15           HA       THR  15   1.935   5.291  -0.334
  108    HB   THR  15           HB       THR  15   1.916   5.747  -2.758
  109    HG1  THR  15           1HG      THR  15   4.058   5.262  -3.292
  110   HG21  THR  15          3HG2      THR  15   2.271   8.169  -2.624
  111   HG22  THR  15          1HG2      THR  15   3.157   7.957  -1.113
  112   HG23  THR  15          2HG2      THR  15   1.439   7.564  -1.191
  113    H    TRP  16           H        TRP  16   1.110   3.432  -1.223
  114    HA   TRP  16           HA       TRP  16   2.748   1.143  -1.208
  115    HB2  TRP  16           2HB      TRP  16  -0.039   1.553  -2.309
  116    HB3  TRP  16           1HB      TRP  16   0.733  -0.019  -2.115
  117    HD1  TRP  16           HD       TRP  16  -0.490   2.949   0.039
  118    HE1  TRP  16           1HE      TRP  16  -1.078   2.053   2.378
  119    HE3  TRP  16           3HE      TRP  16   1.046  -1.894  -0.537
  120    HZ2  TRP  16           2HZ      TRP  16  -0.910  -0.383   3.792
  121    HZ3  TRP  16           3HZ      TRP  16   0.799  -3.442   1.360
  122    HH2  TRP  16           HH       TRP  16  -0.159  -2.699   3.480
  123    H    ARG  17           H        ARG  17   2.509  -0.457  -3.205
  124    HA   ARG  17           HA       ARG  17   3.960   0.835  -5.333
  125    HB2  ARG  17           2HB      ARG  17   3.197  -2.043  -4.840
  126    HB3  ARG  17           1HB      ARG  17   4.087  -1.514  -6.264
  127    HG2  ARG  17           2HG      ARG  17   4.981  -1.184  -3.409
  128    HG3  ARG  17           1HG      ARG  17   5.559  -2.411  -4.537
  129    HD2  ARG  17           2HD      ARG  17   5.728   0.505  -5.191
  130    HD3  ARG  17           1HD      ARG  17   6.964  -0.276  -4.208
  131    HE   ARG  17           HE       ARG  17   6.803  -1.880  -6.371
  132   HH11  ARG  17          2HH1      ARG  17   7.224   1.562  -5.993
  133   HH12  ARG  17          1HH1      ARG  17   8.149   1.735  -7.447
  134   HH21  ARG  17          2HH2      ARG  17   8.018  -1.655  -8.285
  135   HH22  ARG  17          1HH2      ARG  17   8.600  -0.091  -8.748
  136    H    SER  18           H        SER  18   1.516  -1.655  -5.840
  137    HA   SER  18           HA       SER  18  -0.362   0.039  -7.119
  138    HB2  SER  18           2HB      SER  18  -0.025  -0.721  -9.444
  139    HB3  SER  18           1HB      SER  18   1.366   0.180  -8.843
  140    HG   SER  18           HG       SER  18   1.964  -1.749  -9.941
  141    H    SER  19           H        SER  19   0.982  -3.219  -6.860
  142    HA   SER  19           HA       SER  19  -1.067  -4.774  -7.780
  143    HB2  SER  19           2HB      SER  19  -0.323  -6.504  -6.187
  144    HB3  SER  19           1HB      SER  19   1.045  -5.704  -6.960
  145    HG   SER  19           HG       SER  19   1.019  -4.311  -5.007
  146    H    ILE  20           H        ILE  20  -0.846  -3.206  -4.630
  147    HA   ILE  20           HA       ILE  20  -3.670  -3.910  -4.160
  148    HB   ILE  20           HB       ILE  20  -1.582  -3.340  -2.051
  149   HG12  ILE  20          2HG1      ILE  20  -1.124  -5.471  -3.146
  150   HG13  ILE  20          1HG1      ILE  20  -1.755  -5.750  -1.526
  151   HG21  ILE  20          1HG2      ILE  20  -3.323  -4.217  -0.508
  152   HG22  ILE  20          2HG2      ILE  20  -4.452  -4.238  -1.862
  153   HG23  ILE  20          3HG2      ILE  20  -3.775  -2.709  -1.303
  154   HD11  ILE  20          3HD1      ILE  20  -3.956  -6.229  -2.474
  155   HD12  ILE  20          1HD1      ILE  20  -2.714  -7.306  -3.112
  156   HD13  ILE  20          2HD1      ILE  20  -3.308  -5.967  -4.093
  157    H    ALA  21           H        ALA  21  -4.958  -2.314  -3.040
  158    HA   ALA  21           HA       ALA  21  -4.868   0.218  -4.116
  159    HB1  ALA  21           1HB      ALA  21  -6.482   0.873  -2.418
  160    HB2  ALA  21           2HB      ALA  21  -6.073  -0.550  -1.460
  161    HB3  ALA  21           3HB      ALA  21  -6.846  -0.738  -3.034
  162    H    TYR  22           H        TYR  22  -3.782   2.045  -3.724
  163    HA   TYR  22           HA       TYR  22  -1.822   2.036  -1.562
  164    HB2  TYR  22           2HB      TYR  22  -0.803   3.931  -2.725
  165    HB3  TYR  22           1HB      TYR  22  -1.043   2.582  -3.829
  166    HD1  TYR  22           1HD      TYR  22  -2.870   2.676  -5.515
  167    HD2  TYR  22           2HD      TYR  22  -1.893   6.021  -3.073
  168    HE1  TYR  22           1HE      TYR  22  -4.091   4.153  -7.057
  169    HE2  TYR  22           2HE      TYR  22  -3.112   7.506  -4.608
  170    HH   TYR  22           HH       TYR  22  -5.202   6.350  -7.013
  171    H    GLY  23           H        GLY  23  -1.393   4.503  -0.828
  172    HA2  GLY  23           2HA      GLY  23  -2.168   6.318   0.358
  173    HA3  GLY  23           1HA      GLY  23  -3.721   6.102  -0.435
  174    H    GLY  24           H        GLY  24  -1.959   3.821   1.631
  175    HA2  GLY  24           2HA      GLY  24  -2.431   3.370   3.914
  176    HA3  GLY  24           1HA      GLY  24  -3.964   4.209   3.734
  177    H    GLY  25           H        GLY  25  -2.355   1.197   3.656
  178    HA2  GLY  25           2HA      GLY  25  -4.676  -0.146   2.460
  179    HA3  GLY  25           1HA      GLY  25  -3.101  -0.872   2.744
  Start of MODEL    7
    1    H1   GLY   1           1HT      GLY   1 -12.708  -3.052   0.352
    2    H2   GLY   1           2HT      GLY   1 -13.673  -1.814   0.983
    3    H3   GLY   1           3HT      GLY   1 -13.362  -3.196   1.905
    4    HA2  GLY   1           1HA      GLY   1 -11.351  -1.183   1.063
    5    HA3  GLY   1           2HA      GLY   1 -12.029  -1.333   2.677
    6    H    VAL   2           H        VAL   2 -11.964  -3.946   3.230
    7    HA   VAL   2           HA       VAL   2  -9.284  -4.427   3.882
    8    HB   VAL   2           HB       VAL   2 -11.147  -5.400   5.145
    9   HG11  VAL   2          1HG1      VAL   2 -11.530  -7.175   2.737
   10   HG12  VAL   2          2HG1      VAL   2 -12.636  -5.917   3.288
   11   HG13  VAL   2          3HG1      VAL   2 -12.358  -7.345   4.285
   12   HG21  VAL   2          3HG2      VAL   2  -9.298  -7.473   3.968
   13   HG22  VAL   2          1HG2      VAL   2 -10.206  -7.639   5.470
   14   HG23  VAL   2          2HG2      VAL   2  -8.941  -6.417   5.335
   15    H    VAL   3           H        VAL   3  -7.650  -5.386   2.841
   16    HA   VAL   3           HA       VAL   3  -8.179  -7.189   0.614
   17    HB   VAL   3           HB       VAL   3  -6.620  -6.015  -0.886
   18   HG11  VAL   3          1HG1      VAL   3  -8.944  -4.331   0.041
   19   HG12  VAL   3          2HG1      VAL   3  -9.011  -5.647  -1.131
   20   HG13  VAL   3          3HG1      VAL   3  -8.118  -4.175  -1.510
   21   HG21  VAL   3          3HG2      VAL   3  -5.963  -3.702  -0.404
   22   HG22  VAL   3          1HG2      VAL   3  -5.305  -4.826   0.784
   23   HG23  VAL   3          2HG2      VAL   3  -6.701  -3.829   1.192
   24    H    ARG   4           H        ARG   4  -5.882  -7.841  -0.341
   25    HA   ARG   4           HA       ARG   4  -4.440  -8.961   1.894
   26    HB2  ARG   4           2HB      ARG   4  -3.920  -9.216  -1.073
   27    HB3  ARG   4           1HB      ARG   4  -3.180 -10.188   0.191
   28    HG2  ARG   4           2HG      ARG   4  -5.328 -11.148   0.756
   29    HG3  ARG   4           1HG      ARG   4  -6.124 -10.117  -0.433
   30    HD2  ARG   4           2HD      ARG   4  -5.806 -12.353  -1.324
   31    HD3  ARG   4           1HD      ARG   4  -4.833 -11.186  -2.218
   32    HE   ARG   4           HE       ARG   4  -3.249 -12.257  -0.185
   33   HH11  ARG   4          1HH1      ARG   4  -4.818 -13.299  -3.122
   34   HH12  ARG   4          2HH1      ARG   4  -3.657 -14.541  -3.449
   35   HH21  ARG   4          1HH2      ARG   4  -1.721 -13.892  -0.612
   36   HH22  ARG   4          2HH2      ARG   4  -1.900 -14.878  -2.025
   37    H    GLN   5           H        GLN   5  -2.622  -8.191   2.762
   38    HA   GLN   5           HA       GLN   5  -1.315  -5.924   1.444
   39    HB2  GLN   5           2HB      GLN   5  -2.036  -5.468   3.695
   40    HB3  GLN   5           1HB      GLN   5  -1.226  -6.907   4.297
   41    HG2  GLN   5           2HG      GLN   5   0.933  -5.941   3.800
   42    HG3  GLN   5           1HG      GLN   5   0.162  -4.528   3.086
   43   HE21  GLN   5          1HE2      GLN   5   0.915  -6.208   6.030
   44   HE22  GLN   5          2HE2      GLN   5   0.550  -4.908   7.107
   45    H    TRP   6           H        TRP   6   1.022  -5.775   1.488
   46    HA   TRP   6           HA       TRP   6   2.671  -8.001   2.069
   47    HB2  TRP   6           2HB      TRP   6   3.195  -8.809  -0.118
   48    HB3  TRP   6           1HB      TRP   6   1.442  -8.801   0.005
   49    HD1  TRP   6           HD       TRP   6   0.420  -6.218  -0.977
   50    HE1  TRP   6           1HE      TRP   6   0.982  -5.204  -3.274
   51    HE3  TRP   6           3HE      TRP   6   4.744  -8.763  -1.950
   52    HZ2  TRP   6           2HZ      TRP   6   2.991  -5.452  -5.240
   53    HZ3  TRP   6           3HZ      TRP   6   5.926  -8.317  -4.062
   54    HH2  TRP   6           HH       TRP   6   5.065  -6.696  -5.673
   55    H    SER   7           H        SER   7   4.640  -7.448  -0.005
   56    HA   SER   7           HA       SER   7   5.994  -5.302   1.205
   57    HB2  SER   7           2HB      SER   7   7.182  -7.107   0.061
   58    HB3  SER   7           1HB      SER   7   6.483  -6.611  -1.480
   59    HG   SER   7           HG       SER   7   8.458  -5.363   0.071
   60    H    GLY   8           H        GLY   8   3.470  -5.250  -1.050
   61    HA2  GLY   8           2HA      GLY   8   3.995  -3.235  -2.814
   62    HA3  GLY   8           1HA      GLY   8   2.422  -3.482  -2.074
   63    H    TYR   9           H        TYR   9   3.545  -2.912   0.627
   64    HA   TYR   9           HA       TYR   9   3.181  -0.055   0.522
   65    HB2  TYR   9           2HB      TYR   9   2.158  -1.339   2.332
   66    HB3  TYR   9           1HB      TYR   9   3.745  -1.890   2.861
   67    HD1  TYR   9           1HD      TYR   9   1.573   1.091   2.540
   68    HD2  TYR   9           2HD      TYR   9   5.086  -0.556   4.284
   69    HE1  TYR   9           1HE      TYR   9   1.757   3.054   4.012
   70    HE2  TYR   9           2HE      TYR   9   5.281   1.401   5.760
   71    HH   TYR   9           HH       TYR   9   4.548   3.741   5.821
   72    H    ASP  10           H        ASP  10   4.772   1.327   0.159
   73    HA   ASP  10           HA       ASP  10   7.499   0.582   0.983
   74    HB2  ASP  10           2HB      ASP  10   6.556   2.266  -1.338
   75    HB3  ASP  10           1HB      ASP  10   8.235   2.203  -0.815
   76    HA   PRO  11           HA       PRO  11   6.643   4.018   3.840
   77    HB2  PRO  11           2HB      PRO  11   9.028   3.671   5.202
   78    HB3  PRO  11           1HB      PRO  11   7.516   2.833   5.591
   79    HG2  PRO  11           2HG      PRO  11   9.868   1.864   4.063
   80    HG3  PRO  11           1HG      PRO  11   8.818   0.998   5.202
   81    HD2  PRO  11           2HD      PRO  11   8.600   0.682   2.540
   82    HD3  PRO  11           1HD      PRO  11   7.195   0.604   3.622
   83    H    ARG  12           H        ARG  12   9.250   3.458   1.647
   84    HA   ARG  12           HA       ARG  12  10.850   5.697   2.069
   85    HB2  ARG  12           2HB      ARG  12  10.186   4.422  -0.591
   86    HB3  ARG  12           1HB      ARG  12  11.589   5.420  -0.236
   87    HG2  ARG  12           2HG      ARG  12  11.005   2.748   1.022
   88    HG3  ARG  12           1HG      ARG  12  12.118   3.025  -0.319
   89    HD2  ARG  12           2HD      ARG  12  13.443   2.926   1.636
   90    HD3  ARG  12           1HD      ARG  12  13.348   4.627   1.189
   91    HE   ARG  12           HE       ARG  12  11.310   3.959   3.042
   92   HH11  ARG  12          2HH1      ARG  12  14.740   4.569   2.827
   93   HH12  ARG  12          1HH1      ARG  12  14.872   5.115   4.464
   94   HH21  ARG  12          1HH2      ARG  12  11.482   4.678   5.197
   95   HH22  ARG  12          2HH2      ARG  12  13.024   5.178   5.810
   96    H    THR  13           H        THR  13   7.759   5.365   0.474
   97    HA   THR  13           HA       THR  13   7.672   8.284   0.172
   98    HB   THR  13           HB       THR  13   6.432   8.075  -1.925
   99    HG1  THR  13           1HG      THR  13   5.749   6.183  -2.618
  100   HG21  THR  13          3HG2      THR  13   9.045   6.560  -1.963
  101   HG22  THR  13          1HG2      THR  13   8.858   8.312  -2.050
  102   HG23  THR  13          2HG2      THR  13   8.265   7.297  -3.362
  103    H    GLY  14           H        GLY  14   6.531   6.015   1.970
  104    HA2  GLY  14           2HA      GLY  14   4.577   5.575   3.097
  105    HA3  GLY  14           1HA      GLY  14   4.278   7.293   2.891
  106    H    THR  15           H        THR  15   4.475   4.915   0.293
  107    HA   THR  15           HA       THR  15   1.580   4.900   0.000
  108    HB   THR  15           HB       THR  15   1.697   5.531  -2.392
  109    HG1  THR  15           1HG      THR  15   3.881   5.133  -2.819
  110   HG21  THR  15          3HG2      THR  15   1.987   7.942  -2.040
  111   HG22  THR  15          1HG2      THR  15   2.765   7.619  -0.491
  112   HG23  THR  15          2HG2      THR  15   1.067   7.204  -0.728
  113    H    TRP  16           H        TRP  16   0.805   3.095  -0.977
  114    HA   TRP  16           HA       TRP  16   2.420   0.808  -1.109
  115    HB2  TRP  16           2HB      TRP  16  -0.287   1.300  -2.360
  116    HB3  TRP  16           1HB      TRP  16   0.452  -0.280  -2.124
  117    HD1  TRP  16           HD       TRP  16  -0.825   2.698   0.003
  118    HE1  TRP  16           1HE      TRP  16  -1.657   1.768   2.252
  119    HE3  TRP  16           3HE      TRP  16   0.472  -2.210  -0.614
  120    HZ2  TRP  16           2HZ      TRP  16  -1.756  -0.714   3.589
  121    HZ3  TRP  16           3HZ      TRP  16  -0.028  -3.798   1.199
  122    HH2  TRP  16           HH       TRP  16  -1.119  -3.061   3.256
  123    H    ARG  17           H        ARG  17   2.036  -0.596  -3.335
  124    HA   ARG  17           HA       ARG  17   3.535   0.934  -5.320
  125    HB2  ARG  17           2HB      ARG  17   3.168  -2.018  -4.866
  126    HB3  ARG  17           1HB      ARG  17   3.889  -1.389  -6.341
  127    HG2  ARG  17           2HG      ARG  17   4.919  -0.877  -3.561
  128    HG3  ARG  17           1HG      ARG  17   5.554  -2.089  -4.674
  129    HD2  ARG  17           2HD      ARG  17   5.370   0.802  -5.440
  130    HD3  ARG  17           1HD      ARG  17   6.750   0.180  -4.537
  131    HE   ARG  17           HE       ARG  17   6.586  -1.509  -6.634
  132   HH11  ARG  17          2HH1      ARG  17   6.679   1.971  -6.392
  133   HH12  ARG  17          1HH1      ARG  17   7.465   2.182  -7.920
  134   HH21  ARG  17          2HH2      ARG  17   7.619  -1.234  -8.645
  135   HH22  ARG  17          1HH2      ARG  17   7.999   0.364  -9.199
  136    H    SER  18           H        SER  18   1.440  -1.833  -5.938
  137    HA   SER  18           HA       SER  18  -0.549  -0.256  -7.284
  138    HB2  SER  18           2HB      SER  18   1.195  -0.252  -8.997
  139    HB3  SER  18           1HB      SER  18   1.294  -2.011  -8.924
  140    HG   SER  18           HG       SER  18  -0.144  -0.786 -10.574
  141    H    SER  19           H        SER  19   0.857  -3.483  -6.844
  142    HA   SER  19           HA       SER  19  -1.238  -5.093  -7.565
  143    HB2  SER  19           2HB      SER  19   0.607  -5.460  -5.194
  144    HB3  SER  19           1HB      SER  19  -0.388  -6.728  -5.907
  145    HG   SER  19           HG       SER  19   0.799  -6.568  -7.793
  146    H    ILE  20           H        ILE  20  -0.864  -3.260  -4.590
  147    HA   ILE  20           HA       ILE  20  -3.624  -4.003  -3.857
  148    HB   ILE  20           HB       ILE  20  -1.423  -3.199  -1.947
  149   HG12  ILE  20          2HG1      ILE  20  -0.929  -5.389  -2.869
  150   HG13  ILE  20          1HG1      ILE  20  -1.498  -5.573  -1.213
  151   HG21  ILE  20          1HG2      ILE  20  -3.612  -2.589  -1.133
  152   HG22  ILE  20          2HG2      ILE  20  -3.013  -3.976  -0.223
  153   HG23  ILE  20          3HG2      ILE  20  -4.227  -4.205  -1.482
  154   HD11  ILE  20          3HD1      ILE  20  -3.698  -6.213  -2.039
  155   HD12  ILE  20          1HD1      ILE  20  -2.437  -7.271  -2.671
  156   HD13  ILE  20          2HD1      ILE  20  -3.135  -6.019  -3.698
  157    H    ALA  21           H        ALA  21  -4.885  -2.343  -2.812
  158    HA   ALA  21           HA       ALA  21  -4.931   0.090  -4.091
  159    HB1  ALA  21           1HB      ALA  21  -6.432   0.861  -2.337
  160    HB2  ALA  21           2HB      ALA  21  -5.922  -0.470  -1.297
  161    HB3  ALA  21           3HB      ALA  21  -6.803  -0.803  -2.789
  162    H    TYR  22           H        TYR  22  -3.829   1.941  -3.960
  163    HA   TYR  22           HA       TYR  22  -1.875   2.220  -1.784
  164    HB2  TYR  22           2HB      TYR  22  -0.632   3.701  -3.271
  165    HB3  TYR  22           1HB      TYR  22  -0.937   2.156  -4.062
  166    HD1  TYR  22           1HD      TYR  22  -2.811   2.022  -5.760
  167    HD2  TYR  22           2HD      TYR  22  -1.358   5.720  -4.238
  168    HE1  TYR  22           1HE      TYR  22  -3.817   3.196  -7.672
  169    HE2  TYR  22           2HE      TYR  22  -2.362   6.904  -6.144
  170    HH   TYR  22           HH       TYR  22  -3.084   6.420  -8.441
  171    H    GLY  23           H        GLY  23  -1.380   4.479  -1.119
  172    HA2  GLY  23           2HA      GLY  23  -2.026   6.686  -0.646
  173    HA3  GLY  23           1HA      GLY  23  -3.572   6.378  -1.423
  174    H    GLY  24           H        GLY  24  -1.816   4.889   1.306
  175    HA2  GLY  24           2HA      GLY  24  -2.662   5.487   3.578
  176    HA3  GLY  24           1HA      GLY  24  -4.272   5.264   2.910
  177    H    GLY  25           H        GLY  25  -4.907   3.108   2.256
  178    HA2  GLY  25           2HA      GLY  25  -5.087   0.843   2.584
  179    HA3  GLY  25           1HA      GLY  25  -3.338   0.818   2.759
  Start of MODEL    8
    1    H1   GLY   1           1HT      GLY   1  -9.725  -3.307  -6.140
    2    H2   GLY   1           2HT      GLY   1  -9.747  -1.863  -5.260
    3    H3   GLY   1           3HT      GLY   1 -11.186  -2.490  -5.886
    4    HA2  GLY   1           1HA      GLY   1 -11.058  -2.904  -3.518
    5    HA3  GLY   1           2HA      GLY   1 -11.037  -4.405  -4.432
    6    H    VAL   2           H        VAL   2 -10.134  -4.316  -1.831
    7    HA   VAL   2           HA       VAL   2  -7.317  -4.992  -2.225
    8    HB   VAL   2           HB       VAL   2  -7.290  -2.706  -1.351
    9   HG11  VAL   2          1HG1      VAL   2  -8.169  -2.177   0.851
   10   HG12  VAL   2          2HG1      VAL   2  -8.774  -3.825   1.025
   11   HG13  VAL   2          3HG1      VAL   2  -9.459  -2.759  -0.202
   12   HG21  VAL   2          3HG2      VAL   2  -5.511  -4.260  -0.704
   13   HG22  VAL   2          1HG2      VAL   2  -6.443  -4.737   0.714
   14   HG23  VAL   2          2HG2      VAL   2  -5.839  -3.087   0.570
   15    H    VAL   3           H        VAL   3  -6.851  -6.904  -1.359
   16    HA   VAL   3           HA       VAL   3  -8.066  -7.793   1.101
   17    HB   VAL   3           HB       VAL   3  -8.902  -9.929   0.137
   18   HG11  VAL   3          1HG1      VAL   3 -10.238  -7.475  -0.998
   19   HG12  VAL   3          2HG1      VAL   3 -10.417  -8.055   0.658
   20   HG13  VAL   3          3HG1      VAL   3 -10.996  -9.036  -0.687
   21   HG21  VAL   3          3HG2      VAL   3  -9.334 -10.050  -2.273
   22   HG22  VAL   3          1HG2      VAL   3  -7.610  -9.936  -1.924
   23   HG23  VAL   3          2HG2      VAL   3  -8.491  -8.518  -2.497
   24    H    ARG   4           H        ARG   4  -5.415  -7.222   0.235
   25    HA   ARG   4           HA       ARG   4  -4.086  -9.529   1.200
   26    HB2  ARG   4           2HB      ARG   4  -2.683  -9.853  -0.912
   27    HB3  ARG   4           1HB      ARG   4  -4.310 -10.520  -0.916
   28    HG2  ARG   4           2HG      ARG   4  -5.113  -8.637  -2.209
   29    HG3  ARG   4           1HG      ARG   4  -3.513  -7.895  -2.154
   30    HD2  ARG   4           2HD      ARG   4  -4.214 -10.527  -3.448
   31    HD3  ARG   4           1HD      ARG   4  -3.888  -9.012  -4.288
   32    HE   ARG   4           HE       ARG   4  -1.691  -9.637  -2.661
   33   HH11  ARG   4          1HH1      ARG   4  -3.291 -10.784  -5.542
   34   HH12  ARG   4          2HH1      ARG   4  -1.849 -11.452  -6.228
   35   HH21  ARG   4          1HH2      ARG   4   0.208 -10.513  -3.562
   36   HH22  ARG   4          2HH2      ARG   4   0.138 -11.298  -5.105
   37    H    GLN   5           H        GLN   5  -2.764  -8.457   2.523
   38    HA   GLN   5           HA       GLN   5  -1.384  -6.072   1.532
   39    HB2  GLN   5           2HB      GLN   5  -2.580  -5.795   3.631
   40    HB3  GLN   5           1HB      GLN   5  -1.700  -7.144   4.337
   41    HG2  GLN   5           2HG      GLN   5   0.361  -5.916   4.240
   42    HG3  GLN   5           1HG      GLN   5  -0.421  -4.599   3.371
   43   HE21  GLN   5          1HE2      GLN   5  -1.877  -6.317   6.061
   44   HE22  GLN   5          2HE2      GLN   5  -1.839  -4.995   7.169
   45    H    TRP   6           H        TRP   6   0.838  -5.881   1.531
   46    HA   TRP   6           HA       TRP   6   2.555  -7.898   2.602
   47    HB2  TRP   6           2HB      TRP   6   3.386  -8.872   0.588
   48    HB3  TRP   6           1HB      TRP   6   1.632  -8.967   0.499
   49    HD1  TRP   6           HD       TRP   6   0.512  -6.779  -0.974
   50    HE1  TRP   6           1HE      TRP   6   1.332  -5.879  -3.242
   51    HE3  TRP   6           3HE      TRP   6   5.281  -8.613  -0.894
   52    HZ2  TRP   6           2HZ      TRP   6   3.689  -5.943  -4.793
   53    HZ3  TRP   6           3HZ      TRP   6   6.754  -8.151  -2.810
   54    HH2  TRP   6           HH       TRP   6   5.973  -6.844  -4.719
   55    H    SER   7           H        SER   7   4.683  -7.369   0.630
   56    HA   SER   7           HA       SER   7   5.800  -5.075   1.817
   57    HB2  SER   7           2HB      SER   7   6.617  -6.512  -0.720
   58    HB3  SER   7           1HB      SER   7   7.604  -5.339   0.152
   59    HG   SER   7           HG       SER   7   8.275  -7.208   0.983
   60    H    GLY   8           H        GLY   8   3.426  -5.248  -0.547
   61    HA2  GLY   8           2HA      GLY   8   3.953  -3.412  -2.474
   62    HA3  GLY   8           1HA      GLY   8   2.379  -3.556  -1.709
   63    H    TYR   9           H        TYR   9   3.482  -2.723   0.918
   64    HA   TYR   9           HA       TYR   9   3.169   0.107   0.534
   65    HB2  TYR   9           2HB      TYR   9   2.163  -0.957   2.480
   66    HB3  TYR   9           1HB      TYR   9   3.740  -1.513   3.025
   67    HD1  TYR   9           2HD      TYR   9   1.786   1.581   2.338
   68    HD2  TYR   9           1HD      TYR   9   5.031  -0.182   4.451
   69    HE1  TYR   9           2HE      TYR   9   2.065   3.654   3.629
   70    HE2  TYR   9           1HE      TYR   9   5.319   1.887   5.747
   71    HH   TYR   9           HH       TYR   9   4.799   4.279   5.537
   72    H    ASP  10           H        ASP  10   4.747   1.483   0.103
   73    HA   ASP  10           HA       ASP  10   7.503   0.727   0.812
   74    HB2  ASP  10           2HB      ASP  10   6.504   2.521  -1.407
   75    HB3  ASP  10           1HB      ASP  10   8.202   2.243  -1.029
   76    HA   PRO  11           HA       PRO  11   6.756   4.194   3.693
   77    HB2  PRO  11           2HB      PRO  11   9.093   3.713   5.091
   78    HB3  PRO  11           1HB      PRO  11   7.535   2.951   5.454
   79    HG2  PRO  11           2HG      PRO  11   9.855   1.871   3.947
   80    HG3  PRO  11           1HG      PRO  11   8.760   1.057   5.082
   81    HD2  PRO  11           2HD      PRO  11   8.535   0.745   2.422
   82    HD3  PRO  11           1HD      PRO  11   7.121   0.747   3.495
   83    H    ARG  12           H        ARG  12   9.485   3.404   1.679
   84    HA   ARG  12           HA       ARG  12  11.071   5.673   2.091
   85    HB2  ARG  12           2HB      ARG  12  10.717   4.034  -0.426
   86    HB3  ARG  12           1HB      ARG  12  12.024   5.174  -0.134
   87    HG2  ARG  12           2HG      ARG  12  12.818   3.818   1.721
   88    HG3  ARG  12           1HG      ARG  12  11.484   2.687   1.476
   89    HD2  ARG  12           2HD      ARG  12  13.661   3.311  -0.517
   90    HD3  ARG  12           1HD      ARG  12  13.563   1.862   0.481
   91    HE   ARG  12           HE       ARG  12  11.197   2.168  -1.032
   92   HH11  ARG  12          2HH1      ARG  12  14.554   1.279  -1.369
   93   HH12  ARG  12          1HH1      ARG  12  14.275   0.255  -2.738
   94   HH21  ARG  12          1HH2      ARG  12  10.828   0.823  -2.832
   95   HH22  ARG  12          2HH2      ARG  12  12.159  -0.004  -3.569
   96    H    THR  13           H        THR  13   8.314   5.109  -0.036
   97    HA   THR  13           HA       THR  13   8.355   7.966  -0.739
   98    HB   THR  13           HB       THR  13   8.641   6.610  -2.722
   99    HG1  THR  13           1HG      THR  13   6.617   7.266  -3.812
  100   HG21  THR  13          3HG2      THR  13   6.088   5.244  -1.867
  101   HG22  THR  13          1HG2      THR  13   7.694   4.519  -1.954
  102   HG23  THR  13          2HG2      THR  13   6.873   5.026  -3.431
  103    H    GLY  14           H        GLY  14   7.035   6.249   1.480
  104    HA2  GLY  14           2HA      GLY  14   5.026   6.162   2.604
  105    HA3  GLY  14           1HA      GLY  14   4.912   7.843   2.109
  106    H    THR  15           H        THR  15   4.829   5.011  -0.007
  107    HA   THR  15           HA       THR  15   1.957   5.240  -0.343
  108    HB   THR  15           HB       THR  15   2.104   5.500  -2.802
  109    HG1  THR  15           1HG      THR  15   4.129   4.975  -3.393
  110   HG21  THR  15          3HG2      THR  15   2.602   7.902  -2.805
  111   HG22  THR  15          1HG2      THR  15   3.369   7.744  -1.225
  112   HG23  THR  15          2HG2      THR  15   1.639   7.447  -1.400
  113    H    TRP  16           H        TRP  16   1.041   3.513  -1.586
  114    HA   TRP  16           HA       TRP  16   2.538   1.055  -1.285
  115    HB2  TRP  16           2HB      TRP  16  -0.290   1.564  -2.230
  116    HB3  TRP  16           1HB      TRP  16   0.400  -0.027  -1.920
  117    HD1  TRP  16           HD       TRP  16  -0.428   3.231   0.003
  118    HE1  TRP  16           1HE      TRP  16  -0.981   2.606   2.436
  119    HE3  TRP  16           3HE      TRP  16   0.546  -1.786  -0.203
  120    HZ2  TRP  16           2HZ      TRP  16  -1.002   0.295   4.056
  121    HZ3  TRP  16           3HZ      TRP  16   0.235  -3.131   1.834
  122    HH2  TRP  16           HH       TRP  16  -0.523  -2.109   3.917
  123    H    ARG  17           H        ARG  17   2.649  -0.552  -3.022
  124    HA   ARG  17           HA       ARG  17   3.771   0.519  -5.370
  125    HB2  ARG  17           2HB      ARG  17   2.903  -2.270  -4.637
  126    HB3  ARG  17           1HB      ARG  17   3.653  -1.892  -6.182
  127    HG2  ARG  17           2HG      ARG  17   4.896  -1.400  -3.485
  128    HG3  ARG  17           1HG      ARG  17   5.249  -2.770  -4.539
  129    HD2  ARG  17           2HD      ARG  17   6.019  -1.211  -6.275
  130    HD3  ARG  17           1HD      ARG  17   5.701   0.141  -5.188
  131    HE   ARG  17           HE       ARG  17   7.407  -1.611  -3.862
  132   HH11  ARG  17          2HH1      ARG  17   7.459   0.433  -6.690
  133   HH12  ARG  17          1HH1      ARG  17   9.166   0.712  -6.612
  134   HH21  ARG  17          2HH2      ARG  17   9.652  -1.243  -3.756
  135   HH22  ARG  17          1HH2      ARG  17  10.411  -0.240  -4.945
  136    H    SER  18           H        SER  18   1.087  -1.794  -5.447
  137    HA   SER  18           HA       SER  18  -0.715  -0.071  -6.793
  138    HB2  SER  18           2HB      SER  18  -0.648  -1.134  -9.023
  139    HB3  SER  18           1HB      SER  18   0.870  -0.321  -8.641
  140    HG   SER  18           HG       SER  18   1.672  -2.409  -8.001
  141    H    SER  19           H        SER  19   0.331  -3.421  -6.322
  142    HA   SER  19           HA       SER  19  -2.022  -4.768  -6.813
  143    HB2  SER  19           2HB      SER  19   0.085  -5.914  -6.310
  144    HB3  SER  19           1HB      SER  19   0.008  -5.350  -4.641
  145    HG   SER  19           HG       SER  19  -1.005  -7.554  -5.594
  146    H    ILE  20           H        ILE  20  -1.163  -2.787  -4.081
  147    HA   ILE  20           HA       ILE  20  -3.751  -3.407  -2.815
  148    HB   ILE  20           HB       ILE  20  -1.328  -2.135  -1.532
  149   HG12  ILE  20          2HG1      ILE  20  -2.370  -4.956  -1.202
  150   HG13  ILE  20          1HG1      ILE  20  -0.979  -4.521  -2.192
  151   HG21  ILE  20          1HG2      ILE  20  -2.511  -2.534   0.567
  152   HG22  ILE  20          2HG2      ILE  20  -3.880  -3.196  -0.325
  153   HG23  ILE  20          3HG2      ILE  20  -3.451  -1.495  -0.507
  154   HD11  ILE  20          3HD1      ILE  20   0.206  -3.741  -0.243
  155   HD12  ILE  20          1HD1      ILE  20  -0.351  -5.395   0.010
  156   HD13  ILE  20          2HD1      ILE  20  -1.204  -4.052   0.770
  157    H    ALA  21           H        ALA  21  -5.080  -1.697  -2.127
  158    HA   ALA  21           HA       ALA  21  -5.170   0.559  -3.774
  159    HB1  ALA  21           1HB      ALA  21  -7.117  -0.322  -2.571
  160    HB2  ALA  21           2HB      ALA  21  -6.890   1.404  -2.290
  161    HB3  ALA  21           3HB      ALA  21  -6.422   0.240  -1.051
  162    H    TYR  22           H        TYR  22  -3.304   1.726  -3.824
  163    HA   TYR  22           HA       TYR  22  -1.778   2.481  -1.600
  164    HB2  TYR  22           2HB      TYR  22  -0.635   4.005  -3.083
  165    HB3  TYR  22           1HB      TYR  22  -0.979   2.518  -3.961
  166    HD1  TYR  22           2HD      TYR  22  -3.053   2.507  -5.491
  167    HD2  TYR  22           1HD      TYR  22  -1.316   6.067  -3.937
  168    HE1  TYR  22           2HE      TYR  22  -4.163   3.811  -7.253
  169    HE2  TYR  22           1HE      TYR  22  -2.423   7.381  -5.695
  170    HH   TYR  22           HH       TYR  22  -4.895   6.123  -7.649
  171    H    GLY  23           H        GLY  23  -1.392   4.731  -0.887
  172    HA2  GLY  23           2HA      GLY  23  -2.133   6.871  -0.287
  173    HA3  GLY  23           1HA      GLY  23  -3.670   6.534  -1.069
  174    H    GLY  24           H        GLY  24  -2.061   4.560   1.380
  175    HA2  GLY  24           2HA      GLY  24  -2.866   5.184   3.765
  176    HA3  GLY  24           1HA      GLY  24  -4.450   4.880   3.064
  177    H    GLY  25           H        GLY  25  -5.025   2.748   2.475
  178    HA2  GLY  25           2HA      GLY  25  -3.713   0.444   2.347
  179    HA3  GLY  25           1HA      GLY  25  -3.644   0.741   4.078
  Start of MODEL    9
    1    H1   GLY   1           1HT      GLY   1  -9.562  -3.691  -6.862
    2    H2   GLY   1           2HT      GLY   1 -10.844  -4.000  -7.921
    3    H3   GLY   1           3HT      GLY   1  -9.414  -4.893  -8.043
    4    HA2  GLY   1           1HA      GLY   1 -11.306  -4.947  -5.755
    5    HA3  GLY   1           2HA      GLY   1 -11.153  -6.195  -6.982
    6    H    VAL   2           H        VAL   2  -9.356  -4.490  -4.449
    7    HA   VAL   2           HA       VAL   2  -7.975  -7.007  -3.848
    8    HB   VAL   2           HB       VAL   2  -6.417  -5.679  -5.200
    9   HG11  VAL   2          1HG1      VAL   2  -6.716  -3.597  -3.038
   10   HG12  VAL   2          2HG1      VAL   2  -7.269  -3.457  -4.707
   11   HG13  VAL   2          3HG1      VAL   2  -5.542  -3.549  -4.354
   12   HG21  VAL   2          3HG2      VAL   2  -5.640  -5.804  -2.288
   13   HG22  VAL   2          1HG2      VAL   2  -4.527  -5.696  -3.651
   14   HG23  VAL   2          2HG2      VAL   2  -5.533  -7.129  -3.446
   15    H    VAL   3           H        VAL   3  -7.590  -7.370  -1.699
   16    HA   VAL   3           HA       VAL   3  -8.013  -5.233   0.229
   17    HB   VAL   3           HB       VAL   3  -9.645  -6.546   1.537
   18   HG11  VAL   3          1HG1      VAL   3 -11.588  -6.122   0.105
   19   HG12  VAL   3          2HG1      VAL   3 -10.520  -5.937  -1.284
   20   HG13  VAL   3          3HG1      VAL   3 -10.436  -4.788   0.051
   21   HG21  VAL   3          3HG2      VAL   3  -9.705  -8.341  -0.887
   22   HG22  VAL   3          1HG2      VAL   3 -10.809  -8.431   0.485
   23   HG23  VAL   3          2HG2      VAL   3  -9.092  -8.768   0.712
   24    H    ARG   4           H        ARG   4  -5.694  -6.667  -0.480
   25    HA   ARG   4           HA       ARG   4  -5.144  -8.001   2.073
   26    HB2  ARG   4           2HB      ARG   4  -4.549  -9.057  -0.678
   27    HB3  ARG   4           1HB      ARG   4  -3.621  -9.573   0.723
   28    HG2  ARG   4           2HG      ARG   4  -6.607  -9.833   0.449
   29    HG3  ARG   4           1HG      ARG   4  -5.441 -11.124   0.145
   30    HD2  ARG   4           2HD      ARG   4  -4.666 -10.955   2.465
   31    HD3  ARG   4           1HD      ARG   4  -5.847  -9.681   2.764
   32    HE   ARG   4           HE       ARG   4  -7.268 -11.843   1.811
   33   HH11  ARG   4          1HH1      ARG   4  -5.221 -11.147   4.548
   34   HH12  ARG   4          2HH1      ARG   4  -6.025 -12.268   5.595
   35   HH21  ARG   4          1HH2      ARG   4  -8.327 -13.322   3.184
   36   HH22  ARG   4          2HH2      ARG   4  -7.789 -13.502   4.821
   37    H    GLN   5           H        GLN   5  -3.208  -7.556   2.973
   38    HA   GLN   5           HA       GLN   5  -1.566  -5.550   1.603
   39    HB2  GLN   5           2HB      GLN   5  -0.670  -5.026   3.812
   40    HB3  GLN   5           1HB      GLN   5  -2.427  -4.953   3.822
   41    HG2  GLN   5           2HG      GLN   5  -2.507  -7.174   4.845
   42    HG3  GLN   5           1HG      GLN   5  -0.744  -7.228   4.852
   43   HE21  GLN   5          1HE2      GLN   5  -0.641  -7.411   7.081
   44   HE22  GLN   5          2HE2      GLN   5  -0.994  -6.091   8.136
   45    H    TRP   6           H        TRP   6   0.828  -5.662   2.140
   46    HA   TRP   6           HA       TRP   6   2.023  -8.150   2.778
   47    HB2  TRP   6           2HB      TRP   6   2.829  -8.857   0.630
   48    HB3  TRP   6           1HB      TRP   6   1.087  -8.655   0.500
   49    HD1  TRP   6           HD       TRP   6   0.881  -5.583  -0.073
   50    HE1  TRP   6           1HE      TRP   6   1.738  -4.614  -2.299
   51    HE3  TRP   6           3HE      TRP   6   4.111  -9.319  -1.392
   52    HZ2  TRP   6           2HZ      TRP   6   3.545  -5.339  -4.342
   53    HZ3  TRP   6           3HZ      TRP   6   5.367  -9.104  -3.499
   54    HH2  TRP   6           HH       TRP   6   5.086  -7.155  -4.943
   55    H    SER   7           H        SER   7   4.419  -7.948   1.410
   56    HA   SER   7           HA       SER   7   5.533  -5.562   2.651
   57    HB2  SER   7           2HB      SER   7   6.891  -7.949   1.373
   58    HB3  SER   7           1HB      SER   7   7.720  -6.636   2.213
   59    HG   SER   7           HG       SER   7   6.786  -7.270   4.114
   60    H    GLY   8           H        GLY   8   4.038  -4.801   0.531
   61    HA2  GLY   8           2HA      GLY   8   5.986  -4.313  -1.633
   62    HA3  GLY   8           1HA      GLY   8   4.241  -4.297  -1.839
   63    H    TYR   9           H        TYR   9   3.881  -2.785   0.687
   64    HA   TYR   9           HA       TYR   9   3.764  -0.206  -0.360
   65    HB2  TYR   9           2HB      TYR   9   2.384  -0.840   1.517
   66    HB3  TYR   9           1HB      TYR   9   3.802  -1.134   2.517
   67    HD1  TYR   9           2HD      TYR   9   1.906   1.536   0.767
   68    HD2  TYR   9           1HD      TYR   9   4.760   0.604   3.780
   69    HE1  TYR   9           2HE      TYR   9   1.813   3.861   1.563
   70    HE2  TYR   9           1HE      TYR   9   4.675   2.926   4.587
   71    HH   TYR   9           HH       TYR   9   2.274   5.123   3.616
   72    H    ASP  10           H        ASP  10   5.099   1.518  -0.369
   73    HA   ASP  10           HA       ASP  10   7.814   1.097   0.680
   74    HB2  ASP  10           2HB      ASP  10   7.677   1.391  -1.763
   75    HB3  ASP  10           1HB      ASP  10   6.892   2.951  -1.526
   76    HA   PRO  11           HA       PRO  11   6.339   4.263   3.599
   77    HB2  PRO  11           2HB      PRO  11   8.932   3.735   4.887
   78    HB3  PRO  11           1HB      PRO  11   7.296   3.566   5.547
   79    HG2  PRO  11           2HG      PRO  11   8.856   1.457   4.975
   80    HG3  PRO  11           1HG      PRO  11   7.087   1.411   4.866
   81    HD2  PRO  11           2HD      PRO  11   9.108   1.600   2.693
   82    HD3  PRO  11           1HD      PRO  11   7.539   0.771   2.714
   83    H    ARG  12           H        ARG  12   9.591   3.927   2.271
   84    HA   ARG  12           HA       ARG  12  10.605   6.450   2.782
   85    HB2  ARG  12           2HB      ARG  12  11.060   4.740   0.330
   86    HB3  ARG  12           1HB      ARG  12  12.077   6.080   0.840
   87    HG2  ARG  12           2HG      ARG  12  12.693   4.902   2.854
   88    HG3  ARG  12           1HG      ARG  12  11.592   3.583   2.449
   89    HD2  ARG  12           2HD      ARG  12  13.972   4.435   0.803
   90    HD3  ARG  12           1HD      ARG  12  13.940   3.061   1.908
   91    HE   ARG  12           HE       ARG  12  11.878   2.965  -0.082
   92   HH11  ARG  12          2HH1      ARG  12  15.218   2.219   0.594
   93   HH12  ARG  12          1HH1      ARG  12  15.314   0.971  -0.603
   94   HH21  ARG  12          1HH2      ARG  12  12.000   1.324  -1.658
   95   HH22  ARG  12          2HH2      ARG  12  13.486   0.462  -1.883
   96    H    THR  13           H        THR  13   8.243   5.464   0.407
   97    HA   THR  13           HA       THR  13   8.160   8.233  -0.589
   98    HB   THR  13           HB       THR  13   7.193   7.370  -2.683
   99    HG1  THR  13           1HG      THR  13   7.391   5.029  -2.986
  100   HG21  THR  13          3HG2      THR  13   9.609   7.720  -2.545
  101   HG22  THR  13          1HG2      THR  13   9.231   6.342  -3.580
  102   HG23  THR  13          2HG2      THR  13   9.820   6.077  -1.938
  103    H    GLY  14           H        GLY  14   6.661   6.429   1.529
  104    HA2  GLY  14           2HA      GLY  14   4.509   6.193   2.332
  105    HA3  GLY  14           1HA      GLY  14   4.416   7.895   1.914
  106    H    THR  15           H        THR  15   4.529   4.952  -0.099
  107    HA   THR  15           HA       THR  15   1.787   5.316  -0.922
  108    HB   THR  15           HB       THR  15   2.347   5.458  -3.351
  109    HG1  THR  15           1HG      THR  15   4.523   4.800  -3.268
  110   HG21  THR  15          3HG2      THR  15   3.359   7.774  -1.695
  111   HG22  THR  15          1HG2      THR  15   1.666   7.450  -2.070
  112   HG23  THR  15          2HG2      THR  15   2.795   7.851  -3.365
  113    H    TRP  16           H        TRP  16   0.957   3.550  -2.110
  114    HA   TRP  16           HA       TRP  16   2.415   1.085  -1.644
  115    HB2  TRP  16           2HB      TRP  16  -0.405   1.774  -2.382
  116    HB3  TRP  16           1HB      TRP  16   0.188   0.140  -2.663
  117    HD1  TRP  16           HD       TRP  16  -0.891   2.495   0.111
  118    HE1  TRP  16           1HE      TRP  16  -0.998   1.189   2.328
  119    HE3  TRP  16           3HE      TRP  16   1.300  -1.867  -1.409
  120    HZ2  TRP  16           2HZ      TRP  16  -0.250  -1.354   3.302
  121    HZ3  TRP  16           3HZ      TRP  16   1.567  -3.685   0.227
  122    HH2  TRP  16           HH       TRP  16   0.810  -3.431   2.534
  123    H    ARG  17           H        ARG  17   2.409  -0.614  -3.356
  124    HA   ARG  17           HA       ARG  17   3.750   0.309  -5.642
  125    HB2  ARG  17           2HB      ARG  17   2.575  -2.367  -4.923
  126    HB3  ARG  17           1HB      ARG  17   3.419  -2.096  -6.442
  127    HG2  ARG  17           2HG      ARG  17   4.626  -1.610  -3.728
  128    HG3  ARG  17           1HG      ARG  17   4.813  -3.103  -4.651
  129    HD2  ARG  17           2HD      ARG  17   6.728  -1.926  -5.204
  130    HD3  ARG  17           1HD      ARG  17   5.642  -1.547  -6.541
  131    HE   ARG  17           HE       ARG  17   5.387   0.396  -4.510
  132   HH11  ARG  17          2HH1      ARG  17   7.591  -0.655  -7.004
  133   HH12  ARG  17          1HH1      ARG  17   8.288   0.914  -7.220
  134   HH21  ARG  17          2HH2      ARG  17   6.306   2.459  -4.794
  135   HH22  ARG  17          1HH2      ARG  17   7.560   2.683  -5.967
  136    H    SER  18           H        SER  18   0.961  -1.813  -6.033
  137    HA   SER  18           HA       SER  18  -0.680   0.082  -7.347
  138    HB2  SER  18           2HB      SER  18   1.032  -0.081  -9.094
  139    HB3  SER  18           1HB      SER  18   0.840  -1.833  -9.134
  140    HG   SER  18           HG       SER  18  -1.124   0.107  -9.798
  141    H    SER  19           H        SER  19   0.224  -3.344  -7.181
  142    HA   SER  19           HA       SER  19  -2.218  -4.467  -7.884
  143    HB2  SER  19           2HB      SER  19  -0.197  -5.810  -7.662
  144    HB3  SER  19           1HB      SER  19  -0.156  -5.503  -5.926
  145    HG   SER  19           HG       SER  19  -2.350  -6.750  -7.211
  146    H    ILE  20           H        ILE  20  -1.114  -3.220  -4.789
  147    HA   ILE  20           HA       ILE  20  -3.722  -3.868  -3.601
  148    HB   ILE  20           HB       ILE  20  -1.142  -3.026  -2.264
  149   HG12  ILE  20          2HG1      ILE  20  -1.280  -5.335  -1.281
  150   HG13  ILE  20          1HG1      ILE  20  -2.610  -5.668  -2.384
  151   HG21  ILE  20          1HG2      ILE  20  -2.298  -3.476  -0.149
  152   HG22  ILE  20          2HG2      ILE  20  -3.795  -3.767  -1.035
  153   HG23  ILE  20          3HG2      ILE  20  -3.061  -2.163  -1.046
  154   HD11  ILE  20          3HD1      ILE  20  -0.283  -6.466  -3.037
  155   HD12  ILE  20          1HD1      ILE  20   0.068  -4.773  -3.381
  156   HD13  ILE  20          2HD1      ILE  20  -1.221  -5.602  -4.256
  157    H    ALA  21           H        ALA  21  -4.942  -2.269  -2.546
  158    HA   ALA  21           HA       ALA  21  -5.104   0.209  -3.801
  159    HB1  ALA  21           1HB      ALA  21  -6.116  -0.513  -1.053
  160    HB2  ALA  21           2HB      ALA  21  -6.958  -0.821  -2.571
  161    HB3  ALA  21           3HB      ALA  21  -6.666   0.837  -2.046
  162    H    TYR  22           H        TYR  22  -4.140   2.128  -3.520
  163    HA   TYR  22           HA       TYR  22  -2.057   2.313  -1.483
  164    HB2  TYR  22           2HB      TYR  22  -1.223   4.219  -2.769
  165    HB3  TYR  22           1HB      TYR  22  -1.442   2.816  -3.812
  166    HD1  TYR  22           2HD      TYR  22  -3.348   2.742  -5.398
  167    HD2  TYR  22           1HD      TYR  22  -2.480   6.220  -3.108
  168    HE1  TYR  22           2HE      TYR  22  -4.749   4.081  -6.912
  169    HE2  TYR  22           1HE      TYR  22  -3.880   7.568  -4.613
  170    HH   TYR  22           HH       TYR  22  -4.724   7.470  -6.926
  171    H    GLY  23           H        GLY  23  -1.753   4.386  -0.351
  172    HA2  GLY  23           2HA      GLY  23  -2.615   6.420   0.535
  173    HA3  GLY  23           1HA      GLY  23  -4.222   5.928   0.024
  174    H    GLY  24           H        GLY  24  -1.742   4.285   1.983
  175    HA2  GLY  24           2HA      GLY  24  -1.787   3.680   4.218
  176    HA3  GLY  24           1HA      GLY  24  -3.278   4.591   4.398
  177    H    GLY  25           H        GLY  25  -2.787   2.052   2.020
  178    HA2  GLY  25           2HA      GLY  25  -5.131   0.673   2.931
  179    HA3  GLY  25           1HA      GLY  25  -4.070   0.173   1.623
  Start of MODEL   10
    1    H1   GLY   1           1HT      GLY   1 -13.150  -7.606  -4.939
    2    H2   GLY   1           2HT      GLY   1 -14.442  -6.541  -4.693
    3    H3   GLY   1           3HT      GLY   1 -13.545  -7.102  -3.373
    4    HA2  GLY   1           1HA      GLY   1 -12.530  -5.349  -5.543
    5    HA3  GLY   1           2HA      GLY   1 -12.938  -4.827  -3.916
    6    H    VAL   2           H        VAL   2 -11.202  -4.486  -2.717
    7    HA   VAL   2           HA       VAL   2  -9.012  -6.431  -2.810
    8    HB   VAL   2           HB       VAL   2  -8.324  -4.573  -4.254
    9   HG11  VAL   2          1HG1      VAL   2  -8.002  -2.334  -3.372
   10   HG12  VAL   2          2HG1      VAL   2  -8.630  -2.841  -1.806
   11   HG13  VAL   2          3HG1      VAL   2  -9.690  -2.817  -3.214
   12   HG21  VAL   2          3HG2      VAL   2  -6.851  -4.651  -1.621
   13   HG22  VAL   2          1HG2      VAL   2  -6.199  -4.049  -3.145
   14   HG23  VAL   2          2HG2      VAL   2  -6.620  -5.752  -2.978
   15    H    VAL   3           H        VAL   3  -8.415  -7.059  -0.841
   16    HA   VAL   3           HA       VAL   3  -8.493  -5.242   1.409
   17    HB   VAL   3           HB       VAL   3  -9.877  -6.718   2.819
   18   HG11  VAL   3          1HG1      VAL   3 -11.302  -5.803   0.323
   19   HG12  VAL   3          2HG1      VAL   3 -10.873  -4.776   1.691
   20   HG13  VAL   3          3HG1      VAL   3 -12.033  -6.086   1.902
   21   HG21  VAL   3          3HG2      VAL   3  -9.535  -8.812   1.624
   22   HG22  VAL   3          1HG2      VAL   3 -10.432  -8.186   0.241
   23   HG23  VAL   3          2HG2      VAL   3 -11.257  -8.458   1.776
   24    H    ARG   4           H        ARG   4  -6.396  -6.569   0.067
   25    HA   ARG   4           HA       ARG   4  -5.395  -8.254   2.256
   26    HB2  ARG   4           2HB      ARG   4  -5.051  -8.835  -0.692
   27    HB3  ARG   4           1HB      ARG   4  -4.293  -9.731   0.617
   28    HG2  ARG   4           2HG      ARG   4  -6.487 -10.425   1.424
   29    HG3  ARG   4           1HG      ARG   4  -7.256  -9.515   0.123
   30    HD2  ARG   4           2HD      ARG   4  -7.125 -11.875  -0.444
   31    HD3  ARG   4           1HD      ARG   4  -6.117 -10.919  -1.527
   32    HE   ARG   4           HE       ARG   4  -4.499 -11.781   0.560
   33   HH11  ARG   4          1HH1      ARG   4  -6.341 -13.186  -2.049
   34   HH12  ARG   4          2HH1      ARG   4  -5.298 -14.561  -2.212
   35   HH21  ARG   4          1HH2      ARG   4  -3.127 -13.587   0.349
   36   HH22  ARG   4          2HH2      ARG   4  -3.474 -14.788  -0.849
   37    H    GLN   5           H        GLN   5  -3.411  -7.729   2.944
   38    HA   GLN   5           HA       GLN   5  -1.980  -5.629   1.486
   39    HB2  GLN   5           2HB      GLN   5  -0.770  -5.256   3.589
   40    HB3  GLN   5           1HB      GLN   5  -2.510  -5.149   3.820
   41    HG2  GLN   5           2HG      GLN   5  -2.530  -7.416   4.729
   42    HG3  GLN   5           1HG      GLN   5  -0.785  -7.521   4.499
   43   HE21  GLN   5          1HE2      GLN   5  -2.365  -7.731   6.941
   44   HE22  GLN   5          2HE2      GLN   5  -1.768  -6.508   8.005
   45    H    TRP   6           H        TRP   6   0.513  -5.768   1.896
   46    HA   TRP   6           HA       TRP   6   1.714  -8.327   2.062
   47    HB2  TRP   6           2HB      TRP   6   2.354  -8.692  -0.230
   48    HB3  TRP   6           1HB      TRP   6   0.609  -8.486  -0.184
   49    HD1  TRP   6           HD       TRP   6   0.345  -5.377  -0.275
   50    HE1  TRP   6           1HE      TRP   6   1.027  -4.066  -2.384
   51    HE3  TRP   6           3HE      TRP   6   3.494  -8.809  -2.380
   52    HZ2  TRP   6           2HZ      TRP   6   2.680  -4.442  -4.642
   53    HZ3  TRP   6           3HZ      TRP   6   4.586  -8.256  -4.514
   54    HH2  TRP   6           HH       TRP   6   4.186  -6.117  -5.621
   55    H    SER   7           H        SER   7   4.002  -7.887   0.513
   56    HA   SER   7           HA       SER   7   5.250  -5.767   2.062
   57    HB2  SER   7           2HB      SER   7   6.460  -7.837   0.213
   58    HB3  SER   7           1HB      SER   7   7.373  -6.712   1.219
   59    HG   SER   7           HG       SER   7   7.139  -8.075   2.785
   60    H    GLY   8           H        GLY   8   3.521  -4.709   0.199
   61    HA2  GLY   8           2HA      GLY   8   5.328  -3.684  -1.899
   62    HA3  GLY   8           1HA      GLY   8   3.584  -3.806  -2.075
   63    H    TYR   9           H        TYR   9   5.181  -2.653   0.827
   64    HA   TYR   9           HA       TYR   9   3.876  -0.058   0.435
   65    HB2  TYR   9           2HB      TYR   9   3.346  -1.173   2.527
   66    HB3  TYR   9           1HB      TYR   9   5.056  -1.340   2.908
   67    HD1  TYR   9           2HD      TYR   9   2.282   1.074   2.572
   68    HD2  TYR   9           1HD      TYR   9   6.283   0.457   3.879
   69    HE1  TYR   9           2HE      TYR   9   2.228   3.237   3.739
   70    HE2  TYR   9           1HE      TYR   9   6.240   2.618   5.050
   71    HH   TYR   9           HH       TYR   9   3.372   4.360   5.592
   72    H    ASP  10           H        ASP  10   5.021   1.659  -0.149
   73    HA   ASP  10           HA       ASP  10   7.946   1.521   0.031
   74    HB2  ASP  10           2HB      ASP  10   6.971   1.916  -2.207
   75    HB3  ASP  10           1HB      ASP  10   6.211   3.385  -1.602
   76    HA   PRO  11           HA       PRO  11   7.047   4.382   3.511
   77    HB2  PRO  11           2HB      PRO  11   9.571   4.064   4.590
   78    HB3  PRO  11           1HB      PRO  11   8.178   3.043   4.986
   79    HG2  PRO  11           2HG      PRO  11  10.430   2.515   3.126
   80    HG3  PRO  11           1HG      PRO  11   9.583   1.410   4.227
   81    HD2  PRO  11           2HD      PRO  11   9.106   1.431   1.576
   82    HD3  PRO  11           1HD      PRO  11   7.838   1.072   2.767
   83    H    ARG  12           H        ARG  12   9.575   4.262   1.125
   84    HA   ARG  12           HA       ARG  12  10.896   6.670   1.714
   85    HB2  ARG  12           2HB      ARG  12  10.504   5.310  -0.960
   86    HB3  ARG  12           1HB      ARG  12  11.666   6.589  -0.633
   87    HG2  ARG  12           2HG      ARG  12  12.820   5.149   0.958
   88    HG3  ARG  12           1HG      ARG  12  11.646   3.867   0.656
   89    HD2  ARG  12           2HD      ARG  12  13.497   5.079  -1.395
   90    HD3  ARG  12           1HD      ARG  12  13.725   3.522  -0.599
   91    HE   ARG  12           HE       ARG  12  11.198   3.638  -1.875
   92   HH11  ARG  12          2HH1      ARG  12  14.602   3.277  -2.548
   93   HH12  ARG  12          1HH1      ARG  12  14.347   2.376  -4.005
   94   HH21  ARG  12          1HH2      ARG  12  10.860   2.453  -3.790
   95   HH22  ARG  12          2HH2      ARG  12  12.222   1.909  -4.710
   96    H    THR  13           H        THR  13   7.984   5.969  -0.129
   97    HA   THR  13           HA       THR  13   7.559   8.867  -0.425
   98    HB   THR  13           HB       THR  13   6.235   8.409  -2.447
   99    HG1  THR  13           1HG      THR  13   5.638   6.248  -1.989
  100   HG21  THR  13          3HG2      THR  13   9.016   7.235  -2.553
  101   HG22  THR  13          1HG2      THR  13   8.613   8.948  -2.678
  102   HG23  THR  13          2HG2      THR  13   8.092   7.824  -3.934
  103    H    GLY  14           H        GLY  14   6.715   6.712   1.596
  104    HA2  GLY  14           2HA      GLY  14   4.842   6.129   2.804
  105    HA3  GLY  14           1HA      GLY  14   4.379   7.795   2.506
  106    H    THR  15           H        THR  15   4.631   5.015   0.298
  107    HA   THR  15           HA       THR  15   1.754   4.876   0.025
  108    HB   THR  15           HB       THR  15   1.803   5.202  -2.444
  109    HG1  THR  15           1HG      THR  15   3.644   5.592  -3.419
  110   HG21  THR  15          3HG2      THR  15   1.064   7.005  -0.948
  111   HG22  THR  15          1HG2      THR  15   1.865   7.641  -2.386
  112   HG23  THR  15          2HG2      THR  15   2.723   7.595  -0.846
  113    H    TRP  16           H        TRP  16   1.055   3.074  -1.285
  114    HA   TRP  16           HA       TRP  16   2.815   0.816  -1.017
  115    HB2  TRP  16           2HB      TRP  16   0.013   1.088  -2.118
  116    HB3  TRP  16           1HB      TRP  16   0.862  -0.448  -1.976
  117    HD1  TRP  16           HD       TRP  16  -0.798   2.264   0.158
  118    HE1  TRP  16           1HE      TRP  16  -1.219   1.314   2.512
  119    HE3  TRP  16           3HE      TRP  16   1.687  -2.181  -0.300
  120    HZ2  TRP  16           2HZ      TRP  16  -0.584  -1.008   3.981
  121    HZ3  TRP  16           3HZ      TRP  16   1.732  -3.710   1.627
  122    HH2  TRP  16           HH       TRP  16   0.620  -3.135   3.722
  123    H    ARG  17           H        ARG  17   2.521  -0.820  -3.054
  124    HA   ARG  17           HA       ARG  17   4.057   0.427  -5.133
  125    HB2  ARG  17           2HB      ARG  17   3.071  -2.389  -4.717
  126    HB3  ARG  17           1HB      ARG  17   3.962  -1.904  -6.153
  127    HG2  ARG  17           2HG      ARG  17   4.968  -1.682  -3.324
  128    HG3  ARG  17           1HG      ARG  17   5.393  -2.958  -4.467
  129    HD2  ARG  17           2HD      ARG  17   6.339  -1.263  -5.976
  130    HD3  ARG  17           1HD      ARG  17   5.948  -0.012  -4.797
  131    HE   ARG  17           HE       ARG  17   7.488  -1.878  -3.466
  132   HH11  ARG  17          2HH1      ARG  17   7.867   0.254  -6.202
  133   HH12  ARG  17          1HH1      ARG  17   9.573   0.442  -5.979
  134   HH21  ARG  17          2HH2      ARG  17   9.733  -1.631  -3.169
  135   HH22  ARG  17          1HH2      ARG  17  10.633  -0.628  -4.257
  136    H    SER  18           H        SER  18   1.408  -1.843  -5.745
  137    HA   SER  18           HA       SER  18  -0.295   0.047  -7.001
  138    HB2  SER  18           2HB      SER  18   1.410  -1.677  -8.814
  139    HB3  SER  18           1HB      SER  18  -0.018  -0.787  -9.341
  140    HG   SER  18           HG       SER  18   2.474   0.196  -8.475
  141    H    SER  19           H        SER  19   0.760  -3.330  -6.889
  142    HA   SER  19           HA       SER  19  -1.498  -4.618  -7.791
  143    HB2  SER  19           2HB      SER  19   0.315  -5.467  -5.520
  144    HB3  SER  19           1HB      SER  19  -0.804  -6.527  -6.378
  145    HG   SER  19           HG       SER  19   0.411  -5.827  -8.324
  146    H    ILE  20           H        ILE  20  -0.920  -3.197  -4.630
  147    HA   ILE  20           HA       ILE  20  -3.691  -3.866  -3.878
  148    HB   ILE  20           HB       ILE  20  -1.408  -3.191  -2.016
  149   HG12  ILE  20          2HG1      ILE  20  -1.023  -5.347  -3.100
  150   HG13  ILE  20          1HG1      ILE  20  -1.458  -5.583  -1.410
  151   HG21  ILE  20          1HG2      ILE  20  -4.225  -4.134  -1.506
  152   HG22  ILE  20          2HG2      ILE  20  -3.523  -2.577  -1.063
  153   HG23  ILE  20          3HG2      ILE  20  -2.962  -4.054  -0.278
  154   HD11  ILE  20          3HD1      ILE  20  -3.291  -5.918  -3.773
  155   HD12  ILE  20          1HD1      ILE  20  -3.740  -6.142  -2.083
  156   HD13  ILE  20          2HD1      ILE  20  -2.552  -7.212  -2.830
  157    H    ALA  21           H        ALA  21  -4.877  -2.253  -2.670
  158    HA   ALA  21           HA       ALA  21  -4.918   0.254  -3.831
  159    HB1  ALA  21           1HB      ALA  21  -6.790  -0.705  -2.571
  160    HB2  ALA  21           2HB      ALA  21  -6.401   0.928  -2.027
  161    HB3  ALA  21           3HB      ALA  21  -5.896  -0.465  -1.070
  162    H    TYR  22           H        TYR  22  -3.650   1.973  -3.687
  163    HA   TYR  22           HA       TYR  22  -1.573   2.067  -1.670
  164    HB2  TYR  22           2HB      TYR  22  -0.667   3.927  -2.951
  165    HB3  TYR  22           1HB      TYR  22  -1.053   2.588  -4.029
  166    HD1  TYR  22           1HD      TYR  22  -3.106   2.718  -5.455
  167    HD2  TYR  22           2HD      TYR  22  -1.706   6.043  -3.202
  168    HE1  TYR  22           1HE      TYR  22  -4.468   4.226  -6.843
  169    HE2  TYR  22           2HE      TYR  22  -3.065   7.559  -4.581
  170    HH   TYR  22           HH       TYR  22  -4.090   7.596  -6.813
  171    H    GLY  23           H        GLY  23  -1.100   4.109  -0.531
  172    HA2  GLY  23           2HA      GLY  23  -1.697   5.893   0.801
  173    HA3  GLY  23           1HA      GLY  23  -3.153   6.058  -0.168
  174    H    GLY  24           H        GLY  24  -1.720   4.027   2.377
  175    HA2  GLY  24           2HA      GLY  24  -2.897   3.842   4.497
  176    HA3  GLY  24           1HA      GLY  24  -4.404   3.881   3.595
  177    H    GLY  25           H        GLY  25  -3.942   2.041   1.610
  178    HA2  GLY  25           2HA      GLY  25  -3.403  -0.236   1.230
  179    HA3  GLY  25           1HA      GLY  25  -3.111  -0.428   2.952
  Start of MODEL   11
    1    H1   GLY   1           1HT      GLY   1 -12.475  -0.512  -2.246
    2    H2   GLY   1           2HT      GLY   1 -11.389  -1.297  -3.277
    3    H3   GLY   1           3HT      GLY   1 -10.950  -0.973  -1.675
    4    HA2  GLY   1           1HA      GLY   1 -12.657  -2.480  -0.867
    5    HA3  GLY   1           2HA      GLY   1 -13.119  -2.813  -2.530
    6    H    VAL   2           H        VAL   2  -9.931  -2.537  -0.973
    7    HA   VAL   2           HA       VAL   2  -9.203  -5.106  -2.175
    8    HB   VAL   2           HB       VAL   2  -7.715  -3.171  -2.572
    9   HG11  VAL   2          1HG1      VAL   2  -8.014  -1.974  -0.493
   10   HG12  VAL   2          2HG1      VAL   2  -6.305  -2.346  -0.722
   11   HG13  VAL   2          3HG1      VAL   2  -7.271  -3.295   0.409
   12   HG21  VAL   2          3HG2      VAL   2  -6.875  -5.504  -2.573
   13   HG22  VAL   2          1HG2      VAL   2  -6.402  -5.297  -0.889
   14   HG23  VAL   2          2HG2      VAL   2  -5.645  -4.317  -2.142
   15    H    VAL   3           H        VAL   3  -7.952  -6.657  -0.889
   16    HA   VAL   3           HA       VAL   3  -8.113  -6.457   1.993
   17    HB   VAL   3           HB       VAL   3  -9.383  -8.550   2.281
   18   HG11  VAL   3          1HG1      VAL   3 -10.500  -6.358   2.429
   19   HG12  VAL   3          2HG1      VAL   3 -11.583  -7.629   1.863
   20   HG13  VAL   3          3HG1      VAL   3 -10.909  -6.470   0.718
   21   HG21  VAL   3          3HG2      VAL   3 -10.676  -9.458   0.404
   22   HG22  VAL   3          1HG2      VAL   3  -8.941  -9.566   0.114
   23   HG23  VAL   3          2HG2      VAL   3  -9.892  -8.314  -0.684
   24    H    ARG   4           H        ARG   4  -5.887  -6.635   0.338
   25    HA   ARG   4           HA       ARG   4  -4.690  -9.068   1.349
   26    HB2  ARG   4           2HB      ARG   4  -4.630  -8.468  -1.612
   27    HB3  ARG   4           1HB      ARG   4  -3.810  -9.794  -0.800
   28    HG2  ARG   4           2HG      ARG   4  -5.957 -10.762  -0.181
   29    HG3  ARG   4           1HG      ARG   4  -6.793  -9.422  -0.967
   30    HD2  ARG   4           2HD      ARG   4  -6.754 -11.366  -2.422
   31    HD3  ARG   4           1HD      ARG   4  -5.789 -10.061  -3.109
   32    HE   ARG   4           HE       ARG   4  -4.086 -11.694  -1.623
   33   HH11  ARG   4          1HH1      ARG   4  -6.058 -11.885  -4.496
   34   HH12  ARG   4          2HH1      ARG   4  -5.049 -13.067  -5.260
   35   HH21  ARG   4          1HH2      ARG   4  -2.758 -13.247  -2.626
   36   HH22  ARG   4          2HH2      ARG   4  -3.175 -13.840  -4.199
   37    H    GLN   5           H        GLN   5  -3.124  -8.100   2.473
   38    HA   GLN   5           HA       GLN   5  -1.572  -5.959   1.208
   39    HB2  GLN   5           2HB      GLN   5  -2.412  -5.343   3.355
   40    HB3  GLN   5           1HB      GLN   5  -1.839  -6.835   4.082
   41    HG2  GLN   5           2HG      GLN   5   0.457  -6.131   3.802
   42    HG3  GLN   5           1HG      GLN   5  -0.069  -4.671   2.965
   43   HE21  GLN   5          1HE2      GLN   5   0.914  -3.323   4.459
   44   HE22  GLN   5          2HE2      GLN   5   0.295  -3.100   6.056
   45    H    TRP   6           H        TRP   6   0.781  -5.949   1.588
   46    HA   TRP   6           HA       TRP   6   2.106  -8.423   2.181
   47    HB2  TRP   6           2HB      TRP   6   3.004  -8.894   0.006
   48    HB3  TRP   6           1HB      TRP   6   1.262  -8.738  -0.175
   49    HD1  TRP   6           HD       TRP   6   0.549  -6.019  -0.889
   50    HE1  TRP   6           1HE      TRP   6   1.595  -4.652  -2.801
   51    HE3  TRP   6           3HE      TRP   6   4.942  -8.576  -1.390
   52    HZ2  TRP   6           2HZ      TRP   6   3.984  -4.658  -4.318
   53    HZ3  TRP   6           3HZ      TRP   6   6.554  -7.833  -3.094
   54    HH2  TRP   6           HH       TRP   6   6.082  -5.914  -4.527
   55    H    SER   7           H        SER   7   4.474  -7.704   0.572
   56    HA   SER   7           HA       SER   7   5.443  -5.561   2.302
   57    HB2  SER   7           2HB      SER   7   7.690  -6.290   1.584
   58    HB3  SER   7           1HB      SER   7   6.753  -7.628   2.247
   59    HG   SER   7           HG       SER   7   7.861  -7.409  -0.171
   60    H    GLY   8           H        GLY   8   3.711  -4.790   0.196
   61    HA2  GLY   8           2HA      GLY   8   5.448  -3.675  -1.872
   62    HA3  GLY   8           1HA      GLY   8   3.692  -3.644  -1.864
   63    H    TYR   9           H        TYR   9   3.618  -2.651   0.922
   64    HA   TYR   9           HA       TYR   9   3.372   0.064   0.442
   65    HB2  TYR   9           2HB      TYR   9   2.348  -1.023   2.373
   66    HB3  TYR   9           1HB      TYR   9   3.936  -1.329   3.069
   67    HD1  TYR   9           1HD      TYR   9   1.677   1.435   2.007
   68    HD2  TYR   9           2HD      TYR   9   4.903   0.235   4.508
   69    HE1  TYR   9           1HE      TYR   9   1.576   3.601   3.170
   70    HE2  TYR   9           2HE      TYR   9   4.810   2.397   5.677
   71    HH   TYR   9           HH       TYR   9   4.020   4.689   5.250
   72    H    ASP  10           H        ASP  10   4.878   1.461  -0.153
   73    HA   ASP  10           HA       ASP  10   7.636   1.084   0.754
   74    HB2  ASP  10           2HB      ASP  10   7.234   1.348  -1.670
   75    HB3  ASP  10           1HB      ASP  10   6.538   2.938  -1.371
   76    HA   PRO  11           HA       PRO  11   6.662   4.323   3.764
   77    HB2  PRO  11           2HB      PRO  11   9.452   3.906   4.597
   78    HB3  PRO  11           1HB      PRO  11   7.959   3.690   5.527
   79    HG2  PRO  11           2HG      PRO  11   9.477   1.626   4.731
   80    HG3  PRO  11           1HG      PRO  11   7.714   1.518   4.908
   81    HD2  PRO  11           2HD      PRO  11   9.352   1.770   2.433
   82    HD3  PRO  11           1HD      PRO  11   7.859   0.851   2.715
   83    H    ARG  12           H        ARG  12   9.676   4.074   1.926
   84    HA   ARG  12           HA       ARG  12  10.680   6.623   2.225
   85    HB2  ARG  12           2HB      ARG  12  10.706   5.068  -0.365
   86    HB3  ARG  12           1HB      ARG  12  11.856   6.296   0.143
   87    HG2  ARG  12           2HG      ARG  12  12.575   4.822   1.982
   88    HG3  ARG  12           1HG      ARG  12  11.471   3.582   1.385
   89    HD2  ARG  12           2HD      ARG  12  12.689   3.757  -0.828
   90    HD3  ARG  12           1HD      ARG  12  13.899   4.715   0.024
   91    HE   ARG  12           HE       ARG  12  13.324   2.175   1.248
   92   HH11  ARG  12          2HH1      ARG  12  15.281   3.856  -1.102
   93   HH12  ARG  12          1HH1      ARG  12  16.557   2.687  -1.062
   94   HH21  ARG  12          1HH2      ARG  12  15.003   0.636   1.304
   95   HH22  ARG  12          2HH2      ARG  12  16.399   0.858   0.303
   96    H    THR  13           H        THR  13   8.318   5.494  -0.180
   97    HA   THR  13           HA       THR  13   7.830   8.277  -0.951
   98    HB   THR  13           HB       THR  13   6.810   7.469  -2.954
   99    HG1  THR  13           1HG      THR  13   5.659   5.695  -2.231
  100   HG21  THR  13          3HG2      THR  13   9.251   7.443  -2.974
  101   HG22  THR  13          1HG2      THR  13   8.613   6.116  -3.944
  102   HG23  THR  13          2HG2      THR  13   9.253   5.799  -2.332
  103    H    GLY  14           H        GLY  14   6.734   6.446   1.371
  104    HA2  GLY  14           2HA      GLY  14   4.731   6.110   2.468
  105    HA3  GLY  14           1HA      GLY  14   4.478   7.792   2.034
  106    H    THR  15           H        THR  15   4.674   5.238  -0.361
  107    HA   THR  15           HA       THR  15   1.771   5.159  -0.616
  108    HB   THR  15           HB       THR  15   1.884   5.586  -3.060
  109    HG1  THR  15           1HG      THR  15   3.756   5.938  -4.000
  110   HG21  THR  15          3HG2      THR  15   1.217   7.379  -1.545
  111   HG22  THR  15          1HG2      THR  15   2.144   8.026  -2.898
  112   HG23  THR  15          2HG2      THR  15   2.905   7.834  -1.319
  113    H    TRP  16           H        TRP  16   0.987   3.405  -1.855
  114    HA   TRP  16           HA       TRP  16   2.654   1.075  -1.720
  115    HB2  TRP  16           2HB      TRP  16  -0.156   1.488  -2.755
  116    HB3  TRP  16           1HB      TRP  16   0.627  -0.083  -2.626
  117    HD1  TRP  16           HD       TRP  16  -0.035   2.874  -0.182
  118    HE1  TRP  16           1HE      TRP  16  -0.792   1.878   2.067
  119    HE3  TRP  16           3HE      TRP  16   0.238  -2.093  -1.361
  120    HZ2  TRP  16           2HZ      TRP  16  -1.216  -0.673   3.192
  121    HZ3  TRP  16           3HZ      TRP  16  -0.360  -3.746   0.361
  122    HH2  TRP  16           HH       TRP  16  -1.071  -3.049   2.589
  123    H    ARG  17           H        ARG  17   2.953  -0.411  -3.548
  124    HA   ARG  17           HA       ARG  17   3.327   1.061  -6.072
  125    HB2  ARG  17           2HB      ARG  17   5.213  -0.468  -6.529
  126    HB3  ARG  17           1HB      ARG  17   5.462   0.497  -5.080
  127    HG2  ARG  17           2HG      ARG  17   4.814  -1.407  -3.697
  128    HG3  ARG  17           1HG      ARG  17   4.560  -2.376  -5.152
  129    HD2  ARG  17           2HD      ARG  17   6.926  -2.070  -5.747
  130    HD3  ARG  17           1HD      ARG  17   7.167  -1.142  -4.265
  131    HE   ARG  17           HE       ARG  17   6.083  -3.734  -3.753
  132   HH11  ARG  17          2HH1      ARG  17   9.042  -2.014  -4.439
  133   HH12  ARG  17          1HH1      ARG  17  10.052  -3.190  -3.666
  134   HH21  ARG  17          2HH2      ARG  17   7.409  -5.281  -2.734
  135   HH22  ARG  17          1HH2      ARG  17   9.125  -5.045  -2.699
  136    H    SER  18           H        SER  18   2.225  -1.886  -4.576
  137    HA   SER  18           HA       SER  18   1.715  -3.244  -7.058
  138    HB2  SER  18           2HB      SER  18   0.578  -4.923  -5.615
  139    HB3  SER  18           1HB      SER  18   2.217  -4.560  -5.081
  140    HG   SER  18           HG       SER  18   0.009  -3.174  -4.010
  141    H    SER  19           H        SER  19  -0.693  -4.317  -6.984
  142    HA   SER  19           HA       SER  19  -2.403  -2.225  -7.821
  143    HB2  SER  19           2HB      SER  19  -2.536  -4.464  -8.796
  144    HB3  SER  19           1HB      SER  19  -3.034  -5.129  -7.240
  145    HG   SER  19           HG       SER  19  -4.753  -4.621  -8.805
  146    H    ILE  20           H        ILE  20  -1.784  -3.574  -4.734
  147    HA   ILE  20           HA       ILE  20  -4.252  -3.340  -3.470
  148    HB   ILE  20           HB       ILE  20  -1.567  -2.748  -2.220
  149   HG12  ILE  20          2HG1      ILE  20  -1.389  -4.910  -3.210
  150   HG13  ILE  20          1HG1      ILE  20  -1.722  -5.176  -1.499
  151   HG21  ILE  20          1HG2      ILE  20  -3.437  -2.046  -0.840
  152   HG22  ILE  20          2HG2      ILE  20  -2.657  -3.464  -0.138
  153   HG23  ILE  20          3HG2      ILE  20  -4.182  -3.636  -1.008
  154   HD11  ILE  20          3HD1      ILE  20  -2.992  -6.699  -2.899
  155   HD12  ILE  20          1HD1      ILE  20  -3.733  -5.335  -3.733
  156   HD13  ILE  20          2HD1      ILE  20  -4.064  -5.606  -2.023
  157    H    ALA  21           H        ALA  21  -5.198  -1.685  -2.220
  158    HA   ALA  21           HA       ALA  21  -5.330   0.824  -3.321
  159    HB1  ALA  21           1HB      ALA  21  -6.962  -0.072  -1.721
  160    HB2  ALA  21           2HB      ALA  21  -6.429   1.553  -1.287
  161    HB3  ALA  21           3HB      ALA  21  -5.794   0.155  -0.419
  162    H    TYR  22           H        TYR  22  -3.928   2.427  -3.490
  163    HA   TYR  22           HA       TYR  22  -1.533   2.459  -1.875
  164    HB2  TYR  22           2HB      TYR  22  -0.792   4.258  -3.335
  165    HB3  TYR  22           1HB      TYR  22  -1.440   2.935  -4.300
  166    HD1  TYR  22           2HD      TYR  22  -3.737   3.164  -5.299
  167    HD2  TYR  22           1HD      TYR  22  -1.734   6.425  -3.440
  168    HE1  TYR  22           2HE      TYR  22  -5.257   4.734  -6.425
  169    HE2  TYR  22           1HE      TYR  22  -3.250   8.003  -4.561
  170    HH   TYR  22           HH       TYR  22  -6.098   7.023  -6.122
  171    H    GLY  23           H        GLY  23  -0.755   4.559  -0.966
  172    HA2  GLY  23           2HA      GLY  23  -0.991   6.242   0.576
  173    HA3  GLY  23           1HA      GLY  23  -2.463   6.668  -0.286
  174    H    GLY  24           H        GLY  24  -2.066   3.527   1.175
  175    HA2  GLY  24           2HA      GLY  24  -2.780   3.543   3.690
  176    HA3  GLY  24           1HA      GLY  24  -4.269   4.172   3.000
  177    H    GLY  25           H        GLY  25  -3.835   1.702   4.496
  178    HA2  GLY  25           2HA      GLY  25  -4.275  -0.350   2.443
  179    HA3  GLY  25           1HA      GLY  25  -3.924  -0.649   4.140
  Start of MODEL   12
    1    H1   GLY   1           1HT      GLY   1 -16.179  -6.704  -4.855
    2    H2   GLY   1           2HT      GLY   1 -16.147  -5.835  -3.404
    3    H3   GLY   1           3HT      GLY   1 -15.846  -7.500  -3.400
    4    HA2  GLY   1           1HA      GLY   1 -13.823  -7.171  -4.679
    5    HA3  GLY   1           2HA      GLY   1 -14.137  -5.442  -4.690
    6    H    VAL   2           H        VAL   2 -12.504  -7.900  -3.149
    7    HA   VAL   2           HA       VAL   2 -11.857  -6.123  -0.913
    8    HB   VAL   2           HB       VAL   2 -13.514  -7.710  -0.042
    9   HG11  VAL   2          1HG1      VAL   2 -13.033 -10.094   0.075
   10   HG12  VAL   2          2HG1      VAL   2 -11.536  -9.850  -0.822
   11   HG13  VAL   2          3HG1      VAL   2 -13.089  -9.550  -1.602
   12   HG21  VAL   2          3HG2      VAL   2 -12.199  -8.566   1.849
   13   HG22  VAL   2          1HG2      VAL   2 -11.781  -6.898   1.457
   14   HG23  VAL   2          2HG2      VAL   2 -10.714  -8.213   0.963
   15    H    VAL   3           H        VAL   3  -9.732  -5.951  -0.598
   16    HA   VAL   3           HA       VAL   3  -7.982  -7.985  -1.817
   17    HB   VAL   3           HB       VAL   3  -6.298  -6.259  -2.130
   18   HG11  VAL   3          1HG1      VAL   3  -7.909  -6.598  -3.919
   19   HG12  VAL   3          2HG1      VAL   3  -7.430  -4.903  -3.828
   20   HG13  VAL   3          3HG1      VAL   3  -8.993  -5.413  -3.188
   21   HG21  VAL   3          3HG2      VAL   3  -6.819  -4.875  -0.188
   22   HG22  VAL   3          1HG2      VAL   3  -8.324  -4.357  -0.950
   23   HG23  VAL   3          2HG2      VAL   3  -6.773  -3.906  -1.660
   24    H    ARG   4           H        ARG   4  -5.600  -7.487  -0.743
   25    HA   ARG   4           HA       ARG   4  -5.918  -7.376   2.163
   26    HB2  ARG   4           2HB      ARG   4  -4.576  -9.382   2.486
   27    HB3  ARG   4           1HB      ARG   4  -6.017  -9.752   1.550
   28    HG2  ARG   4           2HG      ARG   4  -3.447  -9.150   0.157
   29    HG3  ARG   4           1HG      ARG   4  -3.732 -10.747   0.848
   30    HD2  ARG   4           2HD      ARG   4  -5.799 -10.928  -0.471
   31    HD3  ARG   4           1HD      ARG   4  -5.474  -9.350  -1.182
   32    HE   ARG   4           HE       ARG   4  -3.237 -10.922  -1.646
   33   HH11  ARG   4          1HH1      ARG   4  -6.617 -10.914  -2.517
   34   HH12  ARG   4          2HH1      ARG   4  -6.358 -11.717  -4.028
   35   HH21  ARG   4          1HH2      ARG   4  -2.895 -11.978  -3.635
   36   HH22  ARG   4          2HH2      ARG   4  -4.246 -12.321  -4.664
   37    H    GLN   5           H        GLN   5  -3.665  -7.450   3.229
   38    HA   GLN   5           HA       GLN   5  -2.026  -5.481   1.838
   39    HB2  GLN   5           2HB      GLN   5  -0.926  -5.158   3.998
   40    HB3  GLN   5           1HB      GLN   5  -2.672  -5.023   4.155
   41    HG2  GLN   5           2HG      GLN   5  -2.771  -7.302   5.028
   42    HG3  GLN   5           1HG      GLN   5  -1.020  -7.435   4.873
   43   HE21  GLN   5          1HE2      GLN   5   0.305  -6.303   6.291
   44   HE22  GLN   5          2HE2      GLN   5  -0.289  -5.629   7.766
   45    H    TRP   6           H        TRP   6   0.410  -5.692   2.252
   46    HA   TRP   6           HA       TRP   6   1.559  -8.267   2.532
   47    HB2  TRP   6           2HB      TRP   6   2.231  -8.728   0.267
   48    HB3  TRP   6           1HB      TRP   6   0.488  -8.495   0.276
   49    HD1  TRP   6           HD       TRP   6   0.319  -5.364   0.089
   50    HE1  TRP   6           1HE      TRP   6   1.038  -4.155  -2.067
   51    HE3  TRP   6           3HE      TRP   6   3.343  -8.976  -1.895
   52    HZ2  TRP   6           2HZ      TRP   6   2.670  -4.668  -4.312
   53    HZ3  TRP   6           3HZ      TRP   6   4.445  -8.538  -4.051
   54    HH2  TRP   6           HH       TRP   6   4.115  -6.429  -5.235
   55    H    SER   7           H        SER   7   3.884  -7.949   1.042
   56    HA   SER   7           HA       SER   7   5.134  -5.769   2.502
   57    HB2  SER   7           2HB      SER   7   6.346  -7.973   0.815
   58    HB3  SER   7           1HB      SER   7   7.258  -6.805   1.769
   59    HG   SER   7           HG       SER   7   5.292  -8.487   2.911
   60    H    GLY   8           H        GLY   8   3.495  -4.749   0.567
   61    HA2  GLY   8           2HA      GLY   8   5.370  -3.906  -1.554
   62    HA3  GLY   8           1HA      GLY   8   3.627  -3.989  -1.762
   63    H    TYR   9           H        TYR   9   5.108  -2.731   1.142
   64    HA   TYR   9           HA       TYR   9   3.902  -0.130   0.571
   65    HB2  TYR   9           2HB      TYR   9   3.365  -1.174   2.725
   66    HB3  TYR   9           1HB      TYR   9   5.076  -1.231   3.133
   67    HD1  TYR   9           1HD      TYR   9   2.197   1.015   2.597
   68    HD2  TYR   9           2HD      TYR   9   6.208   0.693   3.975
   69    HE1  TYR   9           1HE      TYR   9   2.024   3.252   3.601
   70    HE2  TYR   9           2HE      TYR   9   6.047   2.931   4.984
   71    HH   TYR   9           HH       TYR   9   4.721   4.985   4.704
   72    H    ASP  10           H        ASP  10   5.071   1.574  -0.016
   73    HA   ASP  10           HA       ASP  10   7.997   1.386   0.204
   74    HB2  ASP  10           2HB      ASP  10   6.273   3.006  -1.676
   75    HB3  ASP  10           1HB      ASP  10   8.030   3.096  -1.611
   76    HA   PRO  11           HA       PRO  11   7.280   4.550   3.384
   77    HB2  PRO  11           2HB      PRO  11  10.172   4.230   3.816
   78    HB3  PRO  11           1HB      PRO  11   8.835   3.975   4.949
   79    HG2  PRO  11           2HG      PRO  11  10.287   1.952   3.951
   80    HG3  PRO  11           1HG      PRO  11   8.572   1.791   4.376
   81    HD2  PRO  11           2HD      PRO  11   9.836   2.072   1.694
   82    HD3  PRO  11           1HD      PRO  11   8.421   1.117   2.185
   83    H    ARG  12           H        ARG  12  10.009   4.390   1.143
   84    HA   ARG  12           HA       ARG  12  10.929   6.992   1.293
   85    HB2  ARG  12           2HB      ARG  12  10.758   5.224  -1.153
   86    HB3  ARG  12           1HB      ARG  12  11.755   6.666  -1.015
   87    HG2  ARG  12           2HG      ARG  12  13.048   5.630   0.759
   88    HG3  ARG  12           1HG      ARG  12  12.022   4.197   0.689
   89    HD2  ARG  12           2HD      ARG  12  13.756   5.241  -1.548
   90    HD3  ARG  12           1HD      ARG  12  14.128   3.862  -0.514
   91    HE   ARG  12           HE       ARG  12  11.612   3.544  -1.798
   92   HH11  ARG  12          2HH1      ARG  12  15.052   3.338  -2.352
   93   HH12  ARG  12          1HH1      ARG  12  14.904   2.176  -3.627
   94   HH21  ARG  12          1HH2      ARG  12  11.415   2.017  -3.476
   95   HH22  ARG  12          2HH2      ARG  12  12.839   1.427  -4.267
   96    H    THR  13           H        THR  13   8.052   5.760  -0.256
   97    HA   THR  13           HA       THR  13   7.433   8.494  -1.156
   98    HB   THR  13           HB       THR  13   6.007   7.525  -2.913
   99    HG1  THR  13           1HG      THR  13   6.122   5.275  -3.289
  100   HG21  THR  13          3HG2      THR  13   8.316   8.109  -3.455
  101   HG22  THR  13          1HG2      THR  13   7.800   6.687  -4.364
  102   HG23  THR  13          2HG2      THR  13   8.849   6.502  -2.957
  103    H    GLY  14           H        GLY  14   6.802   6.658   1.298
  104    HA2  GLY  14           2HA      GLY  14   5.021   6.247   2.703
  105    HA3  GLY  14           1HA      GLY  14   4.564   7.878   2.244
  106    H    THR  15           H        THR  15   4.642   5.252  -0.068
  107    HA   THR  15           HA       THR  15   1.761   4.865   0.125
  108    HB   THR  15           HB       THR  15   1.415   5.279  -2.287
  109    HG1  THR  15           1HG      THR  15   3.972   6.525  -2.262
  110   HG21  THR  15          3HG2      THR  15   0.880   7.037  -0.676
  111   HG22  THR  15          1HG2      THR  15   1.473   7.730  -2.186
  112   HG23  THR  15          2HG2      THR  15   2.532   7.646  -0.778
  113    H    TRP  16           H        TRP  16   0.993   3.037  -1.076
  114    HA   TRP  16           HA       TRP  16   2.807   0.854  -1.055
  115    HB2  TRP  16           2HB      TRP  16   0.010   1.051  -2.193
  116    HB3  TRP  16           1HB      TRP  16   0.898  -0.449  -1.942
  117    HD1  TRP  16           HD       TRP  16  -1.000   2.265  -0.045
  118    HE1  TRP  16           1HE      TRP  16  -1.450   1.442   2.351
  119    HE3  TRP  16           3HE      TRP  16   1.820  -2.000  -0.106
  120    HZ2  TRP  16           2HZ      TRP  16  -0.710  -0.727   3.998
  121    HZ3  TRP  16           3HZ      TRP  16   1.896  -3.392   1.920
  122    HH2  TRP  16           HH       TRP  16   0.655  -2.768   3.930
  123    H    ARG  17           H        ARG  17   2.486  -0.703  -3.157
  124    HA   ARG  17           HA       ARG  17   3.959   0.661  -5.220
  125    HB2  ARG  17           2HB      ARG  17   3.088  -2.199  -4.860
  126    HB3  ARG  17           1HB      ARG  17   3.930  -1.642  -6.300
  127    HG2  ARG  17           2HG      ARG  17   5.002  -1.403  -3.498
  128    HG3  ARG  17           1HG      ARG  17   5.411  -2.698  -4.625
  129    HD2  ARG  17           2HD      ARG  17   6.277  -1.013  -6.201
  130    HD3  ARG  17           1HD      ARG  17   5.921   0.248  -5.024
  131    HE   ARG  17           HE       ARG  17   7.516  -1.504  -3.674
  132   HH11  ARG  17          2HH1      ARG  17   7.814   0.284  -6.657
  133   HH12  ARG  17          1HH1      ARG  17   9.537   0.419  -6.551
  134   HH21  ARG  17          2HH2      ARG  17   9.783  -1.330  -3.534
  135   HH22  ARG  17          1HH2      ARG  17  10.656  -0.498  -4.778
  136    H    SER  18           H        SER  18   1.302  -1.638  -5.682
  137    HA   SER  18           HA       SER  18  -0.436   0.212  -6.943
  138    HB2  SER  18           2HB      SER  18   1.261   0.137  -8.715
  139    HB3  SER  18           1HB      SER  18   1.116  -1.620  -8.790
  140    HG   SER  18           HG       SER  18  -0.947  -1.407  -9.573
  141    H    SER  19           H        SER  19   0.601  -3.162  -6.718
  142    HA   SER  19           HA       SER  19  -1.701  -4.467  -7.487
  143    HB2  SER  19           2HB      SER  19  -0.967  -6.321  -6.027
  144    HB3  SER  19           1HB      SER  19   0.374  -5.648  -6.950
  145    HG   SER  19           HG       SER  19   0.752  -4.328  -4.989
  146    H    ILE  20           H        ILE  20  -1.040  -2.773  -4.504
  147    HA   ILE  20           HA       ILE  20  -3.758  -3.436  -3.569
  148    HB   ILE  20           HB       ILE  20  -1.399  -2.631  -1.861
  149   HG12  ILE  20          2HG1      ILE  20  -1.035  -4.856  -2.754
  150   HG13  ILE  20          1HG1      ILE  20  -1.480  -4.982  -1.054
  151   HG21  ILE  20          1HG2      ILE  20  -3.454  -1.929  -0.855
  152   HG22  ILE  20          2HG2      ILE  20  -2.884  -3.360   0.003
  153   HG23  ILE  20          3HG2      ILE  20  -4.199  -3.497  -1.164
  154   HD11  ILE  20          3HD1      ILE  20  -3.790  -5.516  -1.746
  155   HD12  ILE  20          1HD1      ILE  20  -2.599  -6.692  -2.303
  156   HD13  ILE  20          2HD1      ILE  20  -3.255  -5.500  -3.426
  157    H    ALA  21           H        ALA  21  -4.893  -1.742  -2.416
  158    HA   ALA  21           HA       ALA  21  -4.982   0.682  -3.756
  159    HB1  ALA  21           1HB      ALA  21  -6.821  -0.188  -2.393
  160    HB2  ALA  21           2HB      ALA  21  -6.417   1.471  -1.954
  161    HB3  ALA  21           3HB      ALA  21  -5.890   0.135  -0.932
  162    H    TYR  22           H        TYR  22  -3.438   2.163  -3.888
  163    HA   TYR  22           HA       TYR  22  -1.323   2.436  -2.041
  164    HB2  TYR  22           2HB      TYR  22  -0.674   4.388  -3.335
  165    HB3  TYR  22           1HB      TYR  22  -1.168   3.093  -4.424
  166    HD1  TYR  22           1HD      TYR  22  -3.352   3.229  -5.591
  167    HD2  TYR  22           2HD      TYR  22  -1.865   6.453  -3.247
  168    HE1  TYR  22           1HE      TYR  22  -4.956   4.748  -6.671
  169    HE2  TYR  22           2HE      TYR  22  -3.465   7.980  -4.318
  170    HH   TYR  22           HH       TYR  22  -4.760   8.126  -6.403
  171    H    GLY  23           H        GLY  23  -0.829   4.169  -0.628
  172    HA2  GLY  23           2HA      GLY  23  -1.304   5.667   1.046
  173    HA3  GLY  23           1HA      GLY  23  -2.549   6.298  -0.022
  174    H    GLY  24           H        GLY  24  -2.114   3.228   1.744
  175    HA2  GLY  24           2HA      GLY  24  -3.596   3.174   3.841
  176    HA3  GLY  24           1HA      GLY  24  -4.885   3.521   2.699
  177    H    GLY  25           H        GLY  25  -3.264   1.107   4.320
  178    HA2  GLY  25           2HA      GLY  25  -4.636  -0.926   2.750
  179    HA3  GLY  25           1HA      GLY  25  -2.887  -1.063   2.821
  Start of MODEL   13
    1    H1   GLY   1           1HT      GLY   1 -13.448  -4.541  -1.225
    2    H2   GLY   1           2HT      GLY   1 -12.646  -3.420  -2.204
    3    H3   GLY   1           3HT      GLY   1 -14.245  -3.135  -1.728
    4    HA2  GLY   1           1HA      GLY   1 -12.737  -1.765  -0.443
    5    HA3  GLY   1           2HA      GLY   1 -13.571  -2.931   0.575
    6    H    VAL   2           H        VAL   2 -12.423  -4.650   1.480
    7    HA   VAL   2           HA       VAL   2  -9.595  -4.136   1.804
    8    HB   VAL   2           HB       VAL   2 -11.263  -6.339   3.026
    9   HG11  VAL   2          1HG1      VAL   2  -8.875  -6.791   3.089
   10   HG12  VAL   2          2HG1      VAL   2  -9.478  -6.426   4.705
   11   HG13  VAL   2          3HG1      VAL   2  -8.577  -5.207   3.803
   12   HG21  VAL   2          3HG2      VAL   2 -11.392  -4.900   5.007
   13   HG22  VAL   2          1HG2      VAL   2 -12.171  -4.157   3.610
   14   HG23  VAL   2          2HG2      VAL   2 -10.574  -3.613   4.120
   15    H    VAL   3           H        VAL   3  -7.923  -5.568   1.318
   16    HA   VAL   3           HA       VAL   3  -8.536  -7.992  -0.171
   17    HB   VAL   3           HB       VAL   3  -7.068  -7.395  -2.052
   18   HG11  VAL   3          1HG1      VAL   3  -8.595  -5.836  -3.166
   19   HG12  VAL   3          2HG1      VAL   3  -9.333  -5.453  -1.610
   20   HG13  VAL   3          3HG1      VAL   3  -9.470  -7.081  -2.275
   21   HG21  VAL   3          3HG2      VAL   3  -6.374  -5.074  -2.386
   22   HG22  VAL   3          1HG2      VAL   3  -5.668  -5.750  -0.919
   23   HG23  VAL   3          2HG2      VAL   3  -7.040  -4.646  -0.811
   24    H    ARG   4           H        ARG   4  -6.200  -8.843  -1.010
   25    HA   ARG   4           HA       ARG   4  -4.787  -9.450   1.383
   26    HB2  ARG   4           2HB      ARG   4  -3.501 -10.942   0.098
   27    HB3  ARG   4           1HB      ARG   4  -5.091 -10.961  -0.648
   28    HG2  ARG   4           2HG      ARG   4  -2.726  -9.388  -1.650
   29    HG3  ARG   4           1HG      ARG   4  -3.267 -10.941  -2.291
   30    HD2  ARG   4           2HD      ARG   4  -4.815  -8.353  -2.290
   31    HD3  ARG   4           1HD      ARG   4  -4.078  -9.136  -3.686
   32    HE   ARG   4           HE       ARG   4  -5.867 -10.925  -2.469
   33   HH11  ARG   4          1HH1      ARG   4  -5.882  -7.958  -4.305
   34   HH12  ARG   4          2HH1      ARG   4  -7.440  -8.250  -5.000
   35   HH21  ARG   4          1HH2      ARG   4  -7.917 -11.313  -3.384
   36   HH22  ARG   4          2HH2      ARG   4  -8.596 -10.154  -4.478
   37    H    GLN   5           H        GLN   5  -3.066  -8.517   2.265
   38    HA   GLN   5           HA       GLN   5  -1.812  -6.292   0.825
   39    HB2  GLN   5           2HB      GLN   5  -1.012  -5.550   3.006
   40    HB3  GLN   5           1HB      GLN   5  -2.753  -5.793   3.037
   41    HG2  GLN   5           2HG      GLN   5  -2.436  -7.948   4.137
   42    HG3  GLN   5           1HG      GLN   5  -0.689  -7.709   4.101
   43   HE21  GLN   5          1HE2      GLN   5   0.245  -6.183   5.463
   44   HE22  GLN   5          2HE2      GLN   5  -0.594  -5.531   6.825
   45    H    TRP   6           H        TRP   6   0.587  -5.975   1.619
   46    HA   TRP   6           HA       TRP   6   2.145  -8.279   2.141
   47    HB2  TRP   6           2HB      TRP   6   3.172  -8.656  -0.003
   48    HB3  TRP   6           1HB      TRP   6   1.431  -8.737  -0.219
   49    HD1  TRP   6           HD       TRP   6   0.416  -6.083  -0.930
   50    HE1  TRP   6           1HE      TRP   6   1.286  -4.660  -2.890
   51    HE3  TRP   6           3HE      TRP   6   5.033  -8.202  -1.479
   52    HZ2  TRP   6           2HZ      TRP   6   3.623  -4.465  -4.460
   53    HZ3  TRP   6           3HZ      TRP   6   6.526  -7.334  -3.233
   54    HH2  TRP   6           HH       TRP   6   5.834  -5.505  -4.691
   55    H    SER   7           H        SER   7   4.477  -7.331   0.610
   56    HA   SER   7           HA       SER   7   5.164  -5.103   2.361
   57    HB2  SER   7           2HB      SER   7   6.689  -7.015   2.326
   58    HB3  SER   7           1HB      SER   7   6.903  -6.830   0.584
   59    HG   SER   7           HG       SER   7   8.257  -5.251   0.923
   60    H    GLY   8           H        GLY   8   3.492  -4.855  -0.142
   61    HA2  GLY   8           2HA      GLY   8   5.059  -3.518  -2.103
   62    HA3  GLY   8           1HA      GLY   8   3.308  -3.464  -1.966
   63    H    TYR   9           H        TYR   9   3.318  -2.437   0.749
   64    HA   TYR   9           HA       TYR   9   3.243   0.298   0.212
   65    HB2  TYR   9           2HB      TYR   9   1.990  -0.624   2.057
   66    HB3  TYR   9           1HB      TYR   9   3.468  -1.160   2.850
   67    HD1  TYR   9           2HD      TYR   9   2.191   2.059   1.423
   68    HD2  TYR   9           1HD      TYR   9   4.027   0.073   4.706
   69    HE1  TYR   9           2HE      TYR   9   2.304   4.192   2.640
   70    HE2  TYR   9           1HE      TYR   9   4.148   2.202   5.933
   71    HH   TYR   9           HH       TYR   9   4.164   4.609   5.446
   72    H    ASP  10           H        ASP  10   4.756   1.795   0.043
   73    HA   ASP  10           HA       ASP  10   7.432   1.225   1.134
   74    HB2  ASP  10           2HB      ASP  10   7.311   1.339  -1.348
   75    HB3  ASP  10           1HB      ASP  10   6.724   2.994  -1.216
   76    HA   PRO  11           HA       PRO  11   5.966   4.728   3.694
   77    HB2  PRO  11           2HB      PRO  11   7.886   4.343   5.625
   78    HB3  PRO  11           1HB      PRO  11   6.323   3.508   5.601
   79    HG2  PRO  11           2HG      PRO  11   8.991   2.536   4.723
   80    HG3  PRO  11           1HG      PRO  11   7.698   1.678   5.584
   81    HD2  PRO  11           2HD      PRO  11   8.129   1.339   2.947
   82    HD3  PRO  11           1HD      PRO  11   6.507   1.254   3.664
   83    H    ARG  12           H        ARG  12   8.950   4.078   2.121
   84    HA   ARG  12           HA       ARG  12  10.498   6.254   2.976
   85    HB2  ARG  12           2HB      ARG  12  10.555   5.165   0.167
   86    HB3  ARG  12           1HB      ARG  12  11.876   5.870   1.087
   87    HG2  ARG  12           2HG      ARG  12  11.802   3.927   2.610
   88    HG3  ARG  12           1HG      ARG  12  10.561   3.208   1.583
   89    HD2  ARG  12           2HD      ARG  12  12.208   3.448  -0.330
   90    HD3  ARG  12           1HD      ARG  12  13.424   3.807   0.895
   91    HE   ARG  12           HE       ARG  12  11.953   1.364   1.330
   92   HH11  ARG  12          2HH1      ARG  12  14.764   2.822  -0.140
   93   HH12  ARG  12          1HH1      ARG  12  15.658   1.339  -0.193
   94   HH21  ARG  12          1HH2      ARG  12  13.130  -0.583   1.267
   95   HH22  ARG  12          2HH2      ARG  12  14.730  -0.592   0.605
   96    H    THR  13           H        THR  13   7.941   5.991   0.600
   97    HA   THR  13           HA       THR  13   7.908   8.911   0.381
   98    HB   THR  13           HB       THR  13   9.050   8.224  -1.616
   99    HG1  THR  13           1HG      THR  13   7.453   8.935  -3.184
  100   HG21  THR  13          3HG2      THR  13   6.731   6.345  -2.066
  101   HG22  THR  13          1HG2      THR  13   8.390   5.887  -1.683
  102   HG23  THR  13          2HG2      THR  13   8.023   6.662  -3.224
  103    H    GLY  14           H        GLY  14   6.298   6.633   1.622
  104    HA2  GLY  14           2HA      GLY  14   4.093   6.084   1.977
  105    HA3  GLY  14           1HA      GLY  14   3.801   7.782   1.636
  106    H    THR  15           H        THR  15   4.419   4.719  -0.083
  107    HA   THR  15           HA       THR  15   2.100   5.186  -1.750
  108    HB   THR  15           HB       THR  15   3.348   4.891  -3.875
  109    HG1  THR  15           1HG      THR  15   5.382   4.354  -3.727
  110   HG21  THR  15          3HG2      THR  15   4.211   7.296  -2.266
  111   HG22  THR  15          1HG2      THR  15   2.677   7.131  -3.119
  112   HG23  THR  15          2HG2      THR  15   4.190   7.177  -4.024
  113    H    TRP  16           H        TRP  16   1.824   3.341  -3.344
  114    HA   TRP  16           HA       TRP  16   2.834   0.837  -2.165
  115    HB2  TRP  16           2HB      TRP  16   0.075   1.607  -3.049
  116    HB3  TRP  16           1HB      TRP  16   0.570  -0.083  -3.103
  117    HD1  TRP  16           HD       TRP  16   0.621   2.769  -0.453
  118    HE1  TRP  16           1HE      TRP  16  -0.025   1.741   1.815
  119    HE3  TRP  16           3HE      TRP  16   0.087  -2.108  -1.894
  120    HZ2  TRP  16           2HZ      TRP  16  -0.674  -0.801   2.858
  121    HZ3  TRP  16           3HZ      TRP  16  -0.548  -3.774  -0.199
  122    HH2  TRP  16           HH       TRP  16  -0.919  -3.132   2.128
  123    H    ARG  17           H        ARG  17   3.080  -0.954  -3.617
  124    HA   ARG  17           HA       ARG  17   3.835  -0.075  -6.296
  125    HB2  ARG  17           2HB      ARG  17   4.356  -2.739  -4.976
  126    HB3  ARG  17           1HB      ARG  17   5.105  -2.126  -6.444
  127    HG2  ARG  17           2HG      ARG  17   6.175  -0.347  -5.137
  128    HG3  ARG  17           1HG      ARG  17   5.446  -1.003  -3.670
  129    HD2  ARG  17           2HD      ARG  17   7.761  -1.739  -3.914
  130    HD3  ARG  17           1HD      ARG  17   6.645  -3.100  -3.999
  131    HE   ARG  17           HE       ARG  17   7.183  -2.159  -6.598
  132   HH11  ARG  17          2HH1      ARG  17   8.724  -3.870  -3.974
  133   HH12  ARG  17          1HH1      ARG  17   9.797  -4.749  -5.011
  134   HH21  ARG  17          2HH2      ARG  17   8.596  -3.313  -7.963
  135   HH22  ARG  17          1HH2      ARG  17   9.725  -4.432  -7.275
  136    H    SER  18           H        SER  18   2.366  -3.047  -4.995
  137    HA   SER  18           HA       SER  18   1.234  -3.891  -7.403
  138    HB2  SER  18           2HB      SER  18   1.524  -5.375  -5.467
  139    HB3  SER  18           1HB      SER  18   0.290  -4.475  -4.586
  140    HG   SER  18           HG       SER  18  -0.052  -6.006  -6.949
  141    H    SER  19           H        SER  19  -1.357  -4.375  -7.239
  142    HA   SER  19           HA       SER  19  -2.535  -1.775  -7.643
  143    HB2  SER  19           2HB      SER  19  -3.728  -4.544  -7.898
  144    HB3  SER  19           1HB      SER  19  -4.512  -3.048  -8.406
  145    HG   SER  19           HG       SER  19  -3.305  -3.006 -10.133
  146    H    ILE  20           H        ILE  20  -2.037  -3.535  -4.918
  147    HA   ILE  20           HA       ILE  20  -4.523  -3.537  -3.614
  148    HB   ILE  20           HB       ILE  20  -1.821  -3.184  -2.308
  149   HG12  ILE  20          2HG1      ILE  20  -1.740  -5.114  -3.784
  150   HG13  ILE  20          1HG1      ILE  20  -1.818  -5.659  -2.112
  151   HG21  ILE  20          1HG2      ILE  20  -3.603  -2.787  -0.759
  152   HG22  ILE  20          2HG2      ILE  20  -2.932  -4.384  -0.425
  153   HG23  ILE  20          3HG2      ILE  20  -4.458  -4.234  -1.295
  154   HD11  ILE  20          3HD1      ILE  20  -4.200  -6.113  -2.371
  155   HD12  ILE  20          1HD1      ILE  20  -3.235  -7.004  -3.547
  156   HD13  ILE  20          2HD1      ILE  20  -4.122  -5.565  -4.047
  157    H    ALA  21           H        ALA  21  -5.191  -2.121  -1.817
  158    HA   ALA  21           HA       ALA  21  -5.563   0.491  -2.508
  159    HB1  ALA  21           1HB      ALA  21  -6.131   0.941  -0.188
  160    HB2  ALA  21           2HB      ALA  21  -5.316  -0.540   0.315
  161    HB3  ALA  21           3HB      ALA  21  -6.763  -0.627  -0.688
  162    H    TYR  22           H        TYR  22  -4.308   2.210  -2.721
  163    HA   TYR  22           HA       TYR  22  -1.649   2.165  -1.482
  164    HB2  TYR  22           2HB      TYR  22  -0.986   3.784  -3.184
  165    HB3  TYR  22           1HB      TYR  22  -1.687   2.354  -3.933
  166    HD1  TYR  22           1HD      TYR  22  -4.135   2.483  -4.675
  167    HD2  TYR  22           2HD      TYR  22  -1.833   5.913  -3.657
  168    HE1  TYR  22           1HE      TYR  22  -5.718   3.904  -5.907
  169    HE2  TYR  22           2HE      TYR  22  -3.411   7.343  -4.886
  170    HH   TYR  22           HH       TYR  22  -5.059   7.132  -6.703
  171    H    GLY  23           H        GLY  23  -0.775   4.471  -1.074
  172    HA2  GLY  23           2HA      GLY  23  -0.892   6.427   0.127
  173    HA3  GLY  23           1HA      GLY  23  -2.573   6.541  -0.367
  174    H    GLY  24           H        GLY  24  -0.823   4.178   1.645
  175    HA2  GLY  24           2HA      GLY  24  -1.037   4.321   4.090
  176    HA3  GLY  24           1HA      GLY  24  -2.695   4.841   3.835
  177    H    GLY  25           H        GLY  25  -4.117   3.236   2.684
  178    HA2  GLY  25           2HA      GLY  25  -4.643   0.973   2.155
  179    HA3  GLY  25           1HA      GLY  25  -3.305   0.456   3.171
  Start of MODEL   14
    1    H1   GLY   1           1HT      GLY   1 -11.465  -3.105  -5.727
    2    H2   GLY   1           2HT      GLY   1 -11.599  -3.953  -7.185
    3    H3   GLY   1           3HT      GLY   1 -10.146  -3.984  -6.321
    4    HA2  GLY   1           1HA      GLY   1 -12.726  -5.142  -5.420
    5    HA3  GLY   1           2HA      GLY   1 -11.358  -6.056  -6.040
    6    H    VAL   2           H        VAL   2 -12.451  -6.595  -3.558
    7    HA   VAL   2           HA       VAL   2 -10.861  -5.291  -1.524
    8    HB   VAL   2           HB       VAL   2 -12.650  -7.712  -1.254
    9   HG11  VAL   2          1HG1      VAL   2 -11.065  -7.478   0.575
   10   HG12  VAL   2          2HG1      VAL   2 -12.699  -7.108   1.123
   11   HG13  VAL   2          3HG1      VAL   2 -11.557  -5.801   0.808
   12   HG21  VAL   2          3HG2      VAL   2 -13.908  -5.812  -2.112
   13   HG22  VAL   2          1HG2      VAL   2 -13.280  -4.794  -0.817
   14   HG23  VAL   2          2HG2      VAL   2 -14.350  -6.144  -0.437
   15    H    VAL   3           H        VAL   3  -8.932  -5.935  -0.822
   16    HA   VAL   3           HA       VAL   3  -8.140  -8.731  -1.058
   17    HB   VAL   3           HB       VAL   3  -5.970  -8.171  -2.073
   18   HG11  VAL   3          1HG1      VAL   3  -8.346  -7.286  -3.709
   19   HG12  VAL   3          2HG1      VAL   3  -7.785  -8.945  -3.497
   20   HG13  VAL   3          3HG1      VAL   3  -6.779  -7.777  -4.352
   21   HG21  VAL   3          3HG2      VAL   3  -7.152  -5.414  -2.414
   22   HG22  VAL   3          1HG2      VAL   3  -5.634  -5.974  -3.115
   23   HG23  VAL   3          2HG2      VAL   3  -5.804  -5.848  -1.364
   24    H    ARG   4           H        ARG   4  -5.681  -8.808  -0.202
   25    HA   ARG   4           HA       ARG   4  -5.784  -7.487   2.415
   26    HB2  ARG   4           2HB      ARG   4  -4.236  -9.904   1.471
   27    HB3  ARG   4           1HB      ARG   4  -4.108  -9.213   3.083
   28    HG2  ARG   4           2HG      ARG   4  -6.599 -10.375   1.855
   29    HG3  ARG   4           1HG      ARG   4  -5.574 -11.151   3.064
   30    HD2  ARG   4           2HD      ARG   4  -7.114  -8.581   3.420
   31    HD3  ARG   4           1HD      ARG   4  -7.550 -10.153   4.090
   32    HE   ARG   4           HE       ARG   4  -4.998  -9.629   4.989
   33   HH11  ARG   4          1HH1      ARG   4  -8.133  -8.118   5.253
   34   HH12  ARG   4          2HH1      ARG   4  -7.806  -7.424   6.804
   35   HH21  ARG   4          1HH2      ARG   4  -4.566  -8.713   7.029
   36   HH22  ARG   4          2HH2      ARG   4  -5.782  -7.761   7.813
   37    H    GLN   5           H        GLN   5  -3.310  -7.406   3.296
   38    HA   GLN   5           HA       GLN   5  -1.993  -5.543   1.462
   39    HB2  GLN   5           2HB      GLN   5  -0.752  -4.779   3.438
   40    HB3  GLN   5           1HB      GLN   5  -2.490  -4.695   3.693
   41    HG2  GLN   5           2HG      GLN   5  -2.402  -6.776   4.972
   42    HG3  GLN   5           1HG      GLN   5  -0.659  -6.853   4.720
   43   HE21  GLN   5          1HE2      GLN   5   0.679  -5.400   5.799
   44   HE22  GLN   5          2HE2      GLN   5   0.137  -4.497   7.168
   45    H    TRP   6           H        TRP   6   0.540  -5.514   2.016
   46    HA   TRP   6           HA       TRP   6   1.785  -8.031   2.430
   47    HB2  TRP   6           2HB      TRP   6   2.539  -8.532   0.198
   48    HB3  TRP   6           1HB      TRP   6   0.792  -8.355   0.151
   49    HD1  TRP   6           HD       TRP   6   0.156  -5.526  -0.422
   50    HE1  TRP   6           1HE      TRP   6   1.021  -4.242  -2.478
   51    HE3  TRP   6           3HE      TRP   6   4.235  -8.403  -1.515
   52    HZ2  TRP   6           2HZ      TRP   6   3.153  -4.424  -4.317
   53    HZ3  TRP   6           3HZ      TRP   6   5.637  -7.777  -3.437
   54    HH2  TRP   6           HH       TRP   6   5.106  -5.829  -4.810
   55    H    SER   7           H        SER   7   4.086  -7.442   0.709
   56    HA   SER   7           HA       SER   7   5.250  -5.345   2.363
   57    HB2  SER   7           2HB      SER   7   7.412  -6.167   1.495
   58    HB3  SER   7           1HB      SER   7   6.460  -7.465   2.218
   59    HG   SER   7           HG       SER   7   7.474  -7.877   0.091
   60    H    GLY   8           H        GLY   8   3.418  -4.784   0.059
   61    HA2  GLY   8           2HA      GLY   8   5.064  -3.662  -2.013
   62    HA3  GLY   8           1HA      GLY   8   3.328  -3.462  -1.837
   63    H    TYR   9           H        TYR   9   3.549  -2.463   0.910
   64    HA   TYR   9           HA       TYR   9   3.484   0.240   0.486
   65    HB2  TYR   9           2HB      TYR   9   2.677  -0.762   2.547
   66    HB3  TYR   9           1HB      TYR   9   4.316  -1.210   3.005
   67    HD1  TYR   9           2HD      TYR   9   2.037   1.657   2.481
   68    HD2  TYR   9           1HD      TYR   9   5.749   0.336   4.088
   69    HE1  TYR   9           2HE      TYR   9   2.295   3.810   3.642
   70    HE2  TYR   9           1HE      TYR   9   6.019   2.486   5.251
   71    HH   TYR   9           HH       TYR   9   3.487   4.727   5.581
   72    H    ASP  10           H        ASP  10   4.951   1.594  -0.254
   73    HA   ASP  10           HA       ASP  10   7.789   1.046   0.215
   74    HB2  ASP  10           2HB      ASP  10   8.078   2.875  -1.553
   75    HB3  ASP  10           1HB      ASP  10   7.398   1.339  -2.091
   76    HA   PRO  11           HA       PRO  11   7.176   4.327   3.343
   77    HB2  PRO  11           2HB      PRO  11   9.591   3.811   4.573
   78    HB3  PRO  11           1HB      PRO  11   8.070   2.999   4.982
   79    HG2  PRO  11           2HG      PRO  11  10.322   2.045   3.300
   80    HG3  PRO  11           1HG      PRO  11   9.294   1.150   4.437
   81    HD2  PRO  11           2HD      PRO  11   8.954   1.005   1.765
   82    HD3  PRO  11           1HD      PRO  11   7.604   0.875   2.909
   83    H    ARG  12           H        ARG  12   9.619   3.741   0.980
   84    HA   ARG  12           HA       ARG  12  11.319   5.925   1.443
   85    HB2  ARG  12           2HB      ARG  12  11.917   5.686  -0.972
   86    HB3  ARG  12           1HB      ARG  12  12.006   4.184  -0.062
   87    HG2  ARG  12           2HG      ARG  12   9.862   3.485  -0.968
   88    HG3  ARG  12           1HG      ARG  12   9.730   5.005  -1.856
   89    HD2  ARG  12           2HD      ARG  12  10.506   3.214  -3.312
   90    HD3  ARG  12           1HD      ARG  12  11.751   4.447  -3.112
   91    HE   ARG  12           HE       ARG  12  12.167   2.447  -1.200
   92   HH11  ARG  12          2HH1      ARG  12  12.317   2.877  -4.659
   93   HH12  ARG  12          1HH1      ARG  12  13.544   1.677  -4.881
   94   HH21  ARG  12          1HH2      ARG  12  13.781   0.869  -1.490
   95   HH22  ARG  12          2HH2      ARG  12  14.376   0.535  -3.082
   96    H    THR  13           H        THR  13   8.269   5.647  -0.288
   97    HA   THR  13           HA       THR  13   8.261   8.574  -0.584
   98    HB   THR  13           HB       THR  13   6.872   8.339  -2.591
   99    HG1  THR  13           1HG      THR  13   6.307   6.371  -3.364
  100   HG21  THR  13          3HG2      THR  13   9.277   8.509  -2.895
  101   HG22  THR  13          1HG2      THR  13   8.594   7.419  -4.102
  102   HG23  THR  13          2HG2      THR  13   9.447   6.764  -2.703
  103    H    GLY  14           H        GLY  14   7.119   6.415   1.350
  104    HA2  GLY  14           2HA      GLY  14   5.241   6.154   2.646
  105    HA3  GLY  14           1HA      GLY  14   4.979   7.861   2.334
  106    H    THR  15           H        THR  15   4.795   4.944   0.293
  107    HA   THR  15           HA       THR  15   1.938   5.223   0.010
  108    HB   THR  15           HB       THR  15   1.974   5.438  -2.451
  109    HG1  THR  15           1HG      THR  15   4.715   6.148  -2.178
  110   HG21  THR  15          3HG2      THR  15   2.441   7.811  -2.552
  111   HG22  THR  15          1HG2      THR  15   3.420   7.713  -1.088
  112   HG23  THR  15          2HG2      THR  15   1.681   7.432  -1.008
  113    H    TRP  16           H        TRP  16   1.297   3.642  -1.967
  114    HA   TRP  16           HA       TRP  16   2.737   1.131  -1.426
  115    HB2  TRP  16           2HB      TRP  16  -0.149   1.611  -2.187
  116    HB3  TRP  16           1HB      TRP  16   0.589   0.017  -2.082
  117    HD1  TRP  16           HD       TRP  16  -0.380   2.995   0.162
  118    HE1  TRP  16           1HE      TRP  16  -0.660   2.134   2.569
  119    HE3  TRP  16           3HE      TRP  16   1.195  -1.823  -0.509
  120    HZ2  TRP  16           2HZ      TRP  16  -0.269  -0.269   3.997
  121    HZ3  TRP  16           3HZ      TRP  16   1.211  -3.339   1.429
  122    HH2  TRP  16           HH       TRP  16   0.495  -2.576   3.635
  123    H    ARG  17           H        ARG  17   2.924  -0.403  -3.190
  124    HA   ARG  17           HA       ARG  17   3.915   0.771  -5.529
  125    HB2  ARG  17           2HB      ARG  17   3.145  -2.086  -4.938
  126    HB3  ARG  17           1HB      ARG  17   3.950  -1.584  -6.420
  127    HG2  ARG  17           2HG      ARG  17   5.789  -0.657  -5.002
  128    HG3  ARG  17           1HG      ARG  17   5.004  -1.406  -3.612
  129    HD2  ARG  17           2HD      ARG  17   6.779  -2.828  -4.459
  130    HD3  ARG  17           1HD      ARG  17   5.208  -3.598  -4.680
  131    HE   ARG  17           HE       ARG  17   5.858  -2.186  -7.013
  132   HH11  ARG  17          2HH1      ARG  17   6.899  -4.995  -5.223
  133   HH12  ARG  17          1HH1      ARG  17   7.485  -5.825  -6.624
  134   HH21  ARG  17          2HH2      ARG  17   6.627  -3.278  -8.858
  135   HH22  ARG  17          1HH2      ARG  17   7.331  -4.851  -8.687
  136    H    SER  18           H        SER  18   1.393  -1.699  -5.823
  137    HA   SER  18           HA       SER  18  -0.554   0.017  -6.949
  138    HB2  SER  18           2HB      SER  18   1.034   0.160  -8.801
  139    HB3  SER  18           1HB      SER  18   1.087  -1.598  -8.913
  140    HG   SER  18           HG       SER  18  -0.515  -1.358 -10.243
  141    H    SER  19           H        SER  19   0.785  -3.251  -6.850
  142    HA   SER  19           HA       SER  19  -1.327  -4.797  -7.611
  143    HB2  SER  19           2HB      SER  19   0.833  -5.732  -6.942
  144    HB3  SER  19           1HB      SER  19   0.511  -5.309  -5.261
  145    HG   SER  19           HG       SER  19  -1.074  -7.071  -6.823
  146    H    ILE  20           H        ILE  20  -0.984  -3.028  -4.607
  147    HA   ILE  20           HA       ILE  20  -3.734  -3.816  -3.901
  148    HB   ILE  20           HB       ILE  20  -1.527  -3.216  -1.927
  149   HG12  ILE  20          2HG1      ILE  20  -1.138  -5.349  -3.093
  150   HG13  ILE  20          1HG1      ILE  20  -1.567  -5.610  -1.405
  151   HG21  ILE  20          1HG2      ILE  20  -3.148  -4.095  -0.276
  152   HG22  ILE  20          2HG2      ILE  20  -4.358  -4.182  -1.556
  153   HG23  ILE  20          3HG2      ILE  20  -3.699  -2.620  -1.071
  154   HD11  ILE  20          3HD1      ILE  20  -3.438  -5.879  -3.745
  155   HD12  ILE  20          1HD1      ILE  20  -3.831  -6.188  -2.054
  156   HD13  ILE  20          2HD1      ILE  20  -2.658  -7.208  -2.886
  157    H    ALA  21           H        ALA  21  -4.958  -2.213  -2.730
  158    HA   ALA  21           HA       ALA  21  -4.908   0.322  -3.823
  159    HB1  ALA  21           1HB      ALA  21  -6.459   0.977  -2.067
  160    HB2  ALA  21           2HB      ALA  21  -6.024  -0.453  -1.130
  161    HB3  ALA  21           3HB      ALA  21  -6.851  -0.631  -2.678
  162    H    TYR  22           H        TYR  22  -3.868   2.185  -3.420
  163    HA   TYR  22           HA       TYR  22  -1.823   2.159  -1.329
  164    HB2  TYR  22           2HB      TYR  22  -0.830   4.051  -2.531
  165    HB3  TYR  22           1HB      TYR  22  -1.081   2.681  -3.608
  166    HD1  TYR  22           1HD      TYR  22  -2.920   2.741  -5.273
  167    HD2  TYR  22           2HD      TYR  22  -1.953   6.126  -2.886
  168    HE1  TYR  22           1HE      TYR  22  -4.176   4.183  -6.819
  169    HE2  TYR  22           2HE      TYR  22  -3.206   7.577  -4.423
  170    HH   TYR  22           HH       TYR  22  -5.308   6.364  -6.794
  171    H    GLY  23           H        GLY  23  -1.355   4.574  -0.570
  172    HA2  GLY  23           2HA      GLY  23  -2.184   6.554   0.376
  173    HA3  GLY  23           1HA      GLY  23  -3.815   6.036  -0.024
  174    H    GLY  24           H        GLY  24  -4.228   3.742   1.201
  175    HA2  GLY  24           2HA      GLY  24  -3.564   4.267   4.034
  176    HA3  GLY  24           1HA      GLY  24  -5.158   3.742   3.516
  177    H    GLY  25           H        GLY  25  -5.468   1.587   2.845
  178    HA2  GLY  25           2HA      GLY  25  -4.606  -0.612   2.368
  179    HA3  GLY  25           1HA      GLY  25  -3.208  -0.231   3.361
  Start of MODEL   15
    1    H1   GLY   1           1HT      GLY   1 -10.815  -1.600   1.613
    2    H2   GLY   1           2HT      GLY   1 -11.224  -0.191   0.769
    3    H3   GLY   1           3HT      GLY   1  -9.733  -0.941   0.491
    4    HA2  GLY   1           1HA      GLY   1 -12.396  -2.085  -0.149
    5    HA3  GLY   1           2HA      GLY   1 -11.276  -1.396  -1.314
    6    H    VAL   2           H        VAL   2  -8.875  -2.422  -0.540
    7    HA   VAL   2           HA       VAL   2  -8.999  -5.055  -1.581
    8    HB   VAL   2           HB       VAL   2  -7.055  -3.520  -1.856
    9   HG11  VAL   2          1HG1      VAL   2  -6.480  -4.240   1.015
   10   HG12  VAL   2          2HG1      VAL   2  -6.947  -2.649   0.417
   11   HG13  VAL   2          3HG1      VAL   2  -5.404  -3.351  -0.062
   12   HG21  VAL   2          3HG2      VAL   2  -5.347  -5.252  -1.676
   13   HG22  VAL   2          1HG2      VAL   2  -6.854  -5.911  -2.311
   14   HG23  VAL   2          2HG2      VAL   2  -6.406  -6.197  -0.630
   15    H    VAL   3           H        VAL   3  -8.211  -7.013  -0.525
   16    HA   VAL   3           HA       VAL   3  -8.592  -7.023   2.393
   17    HB   VAL   3           HB       VAL   3  -9.803  -9.179   2.202
   18   HG11  VAL   3          1HG1      VAL   3 -11.941  -8.220   1.481
   19   HG12  VAL   3          2HG1      VAL   3 -11.083  -6.859   0.758
   20   HG13  VAL   3          3HG1      VAL   3 -11.039  -7.104   2.505
   21   HG21  VAL   3          3HG2      VAL   3  -8.988  -9.875   0.018
   22   HG22  VAL   3          1HG2      VAL   3  -9.840  -8.533  -0.745
   23   HG23  VAL   3          2HG2      VAL   3 -10.751  -9.827   0.034
   24    H    ARG   4           H        ARG   4  -6.118  -7.011   1.059
   25    HA   ARG   4           HA       ARG   4  -4.878  -9.262   2.241
   26    HB2  ARG   4           2HB      ARG   4  -3.905 -10.112   0.010
   27    HB3  ARG   4           1HB      ARG   4  -5.532 -10.605   0.455
   28    HG2  ARG   4           2HG      ARG   4  -6.472  -8.925  -1.022
   29    HG3  ARG   4           1HG      ARG   4  -4.851  -8.363  -1.436
   30    HD2  ARG   4           2HD      ARG   4  -5.779  -9.841  -3.162
   31    HD3  ARG   4           1HD      ARG   4  -4.329 -10.518  -2.423
   32    HE   ARG   4           HE       ARG   4  -6.402 -11.578  -0.990
   33   HH11  ARG   4          1HH1      ARG   4  -5.500 -11.526  -4.360
   34   HH12  ARG   4          2HH1      ARG   4  -6.232 -13.056  -4.709
   35   HH21  ARG   4          1HH2      ARG   4  -7.366 -13.591  -1.447
   36   HH22  ARG   4          2HH2      ARG   4  -7.291 -14.228  -3.057
   37    H    GLN   5           H        GLN   5  -2.996  -8.530   2.916
   38    HA   GLN   5           HA       GLN   5  -1.756  -6.280   1.505
   39    HB2  GLN   5           2HB      GLN   5  -0.547  -5.815   3.539
   40    HB3  GLN   5           1HB      GLN   5  -2.252  -6.002   3.921
   41    HG2  GLN   5           2HG      GLN   5  -0.337  -8.287   4.204
   42    HG3  GLN   5           1HG      GLN   5  -0.524  -7.078   5.472
   43   HE21  GLN   5          1HE2      GLN   5  -2.461  -6.956   6.606
   44   HE22  GLN   5          2HE2      GLN   5  -3.619  -8.238   6.586
   45    H    TRP   6           H        TRP   6   0.767  -6.297   1.856
   46    HA   TRP   6           HA       TRP   6   2.097  -8.799   1.838
   47    HB2  TRP   6           2HB      TRP   6   2.717  -8.967  -0.492
   48    HB3  TRP   6           1HB      TRP   6   0.963  -8.916  -0.380
   49    HD1  TRP   6           HD       TRP   6   0.667  -5.721  -0.141
   50    HE1  TRP   6           1HE      TRP   6   1.075  -4.284  -2.238
   51    HE3  TRP   6           3HE      TRP   6   3.465  -9.026  -2.860
   52    HZ2  TRP   6           2HZ      TRP   6   2.405  -4.520  -4.717
   53    HZ3  TRP   6           3HZ      TRP   6   4.267  -8.342  -5.084
   54    HH2  TRP   6           HH       TRP   6   3.746  -6.136  -5.992
   55    H    SER   7           H        SER   7   4.352  -8.255   0.400
   56    HA   SER   7           HA       SER   7   5.486  -6.060   1.939
   57    HB2  SER   7           2HB      SER   7   6.667  -8.204   1.957
   58    HB3  SER   7           1HB      SER   7   6.816  -8.151   0.200
   59    HG   SER   7           HG       SER   7   8.645  -7.369   1.618
   60    H    GLY   8           H        GLY   8   3.795  -5.095   0.007
   61    HA2  GLY   8           2HA      GLY   8   5.655  -4.047  -2.037
   62    HA3  GLY   8           1HA      GLY   8   3.939  -4.293  -2.321
   63    H    TYR   9           H        TYR   9   5.261  -2.950   0.635
   64    HA   TYR   9           HA       TYR   9   3.801  -0.473   0.094
   65    HB2  TYR   9           2HB      TYR   9   3.291  -1.607   2.201
   66    HB3  TYR   9           1HB      TYR   9   4.987  -1.538   2.666
   67    HD1  TYR   9           2HD      TYR   9   2.071   0.626   1.845
   68    HD2  TYR   9           1HD      TYR   9   5.807   0.298   3.857
   69    HE1  TYR   9           2HE      TYR   9   1.681   2.807   2.911
   70    HE2  TYR   9           1HE      TYR   9   5.426   2.479   4.927
   71    HH   TYR   9           HH       TYR   9   4.126   4.507   4.567
   72    H    ASP  10           H        ASP  10   4.757   1.507   0.022
   73    HA   ASP  10           HA       ASP  10   7.697   1.529  -0.006
   74    HB2  ASP  10           2HB      ASP  10   6.679   2.103  -2.150
   75    HB3  ASP  10           1HB      ASP  10   5.734   3.373  -1.381
   76    HA   PRO  11           HA       PRO  11   6.910   4.038   3.707
   77    HB2  PRO  11           2HB      PRO  11   9.684   3.498   4.389
   78    HB3  PRO  11           1HB      PRO  11   8.214   2.943   5.207
   79    HG2  PRO  11           2HG      PRO  11   9.902   1.297   3.863
   80    HG3  PRO  11           1HG      PRO  11   8.174   0.973   4.097
   81    HD2  PRO  11           2HD      PRO  11   9.589   2.014   1.687
   82    HD3  PRO  11           1HD      PRO  11   8.222   0.885   1.798
   83    H    ARG  12           H        ARG  12   9.672   4.164   1.518
   84    HA   ARG  12           HA       ARG  12  10.835   6.547   2.323
   85    HB2  ARG  12           2HB      ARG  12  11.633   6.737  -0.041
   86    HB3  ARG  12           1HB      ARG  12  11.944   5.180   0.709
   87    HG2  ARG  12           2HG      ARG  12   9.970   4.262  -0.450
   88    HG3  ARG  12           1HG      ARG  12   9.756   5.818  -1.254
   89    HD2  ARG  12           2HD      ARG  12  10.924   4.244  -2.700
   90    HD3  ARG  12           1HD      ARG  12  11.962   5.602  -2.274
   91    HE   ARG  12           HE       ARG  12  12.425   3.556  -0.435
   92   HH11  ARG  12          2HH1      ARG  12  12.866   4.176  -3.841
   93   HH12  ARG  12          1HH1      ARG  12  14.245   3.136  -3.978
   94   HH21  ARG  12          1HH2      ARG  12  14.237   2.188  -0.614
   95   HH22  ARG  12          2HH2      ARG  12  15.023   2.008  -2.147
   96    H    THR  13           H        THR  13   7.921   6.022   0.449
   97    HA   THR  13           HA       THR  13   7.498   8.932   0.464
   98    HB   THR  13           HB       THR  13   6.331   8.811  -1.673
   99    HG1  THR  13           1HG      THR  13   6.335   6.852  -2.844
  100   HG21  THR  13          3HG2      THR  13   8.704   9.296  -1.755
  101   HG22  THR  13          1HG2      THR  13   8.261   8.291  -3.134
  102   HG23  THR  13          2HG2      THR  13   9.085   7.574  -1.749
  103    H    GLY  14           H        GLY  14   6.564   6.414   2.029
  104    HA2  GLY  14           2HA      GLY  14   4.636   5.665   3.035
  105    HA3  GLY  14           1HA      GLY  14   4.192   7.362   3.014
  106    H    THR  15           H        THR  15   4.416   4.735   0.606
  107    HA   THR  15           HA       THR  15   1.587   4.914   0.066
  108    HB   THR  15           HB       THR  15   1.897   5.334  -2.374
  109    HG1  THR  15           1HG      THR  15   3.905   6.275  -3.007
  110   HG21  THR  15          3HG2      THR  15   2.135   7.747  -2.188
  111   HG22  THR  15          1HG2      THR  15   2.875   7.572  -0.598
  112   HG23  THR  15          2HG2      THR  15   1.186   7.127  -0.837
  113    H    TRP  16           H        TRP  16   0.998   3.374  -1.773
  114    HA   TRP  16           HA       TRP  16   2.575   0.936  -1.411
  115    HB2  TRP  16           2HB      TRP  16  -0.244   1.411  -2.376
  116    HB3  TRP  16           1HB      TRP  16   0.535  -0.168  -2.430
  117    HD1  TRP  16           HD       TRP  16  -0.756   2.438   0.089
  118    HE1  TRP  16           1HE      TRP  16  -1.159   1.259   2.342
  119    HE3  TRP  16           3HE      TRP  16   1.175  -2.158  -1.044
  120    HZ2  TRP  16           2HZ      TRP  16  -0.715  -1.283   3.487
  121    HZ3  TRP  16           3HZ      TRP  16   1.148  -3.908   0.685
  122    HH2  TRP  16           HH       TRP  16   0.223  -3.477   2.904
  123    H    ARG  17           H        ARG  17   2.185  -0.577  -3.511
  124    HA   ARG  17           HA       ARG  17   3.591   0.836  -5.621
  125    HB2  ARG  17           2HB      ARG  17   3.004  -2.088  -5.168
  126    HB3  ARG  17           1HB      ARG  17   3.819  -1.480  -6.604
  127    HG2  ARG  17           2HG      ARG  17   4.792  -1.124  -3.777
  128    HG3  ARG  17           1HG      ARG  17   5.378  -2.340  -4.915
  129    HD2  ARG  17           2HD      ARG  17   6.096  -0.550  -6.435
  130    HD3  ARG  17           1HD      ARG  17   5.538   0.651  -5.272
  131    HE   ARG  17           HE       ARG  17   7.332  -1.030  -3.960
  132   HH11  ARG  17          2HH1      ARG  17   7.350   1.303  -6.557
  133   HH12  ARG  17          1HH1      ARG  17   8.998   1.768  -6.295
  134   HH21  ARG  17          2HH2      ARG  17   9.497  -0.419  -3.614
  135   HH22  ARG  17          1HH2      ARG  17  10.217   0.791  -4.624
  136    H    SER  18           H        SER  18   1.199  -1.756  -6.002
  137    HA   SER  18           HA       SER  18  -0.725  -0.104  -7.298
  138    HB2  SER  18           2HB      SER  18   0.985  -1.884  -9.053
  139    HB3  SER  18           1HB      SER  18  -0.498  -1.082  -9.570
  140    HG   SER  18           HG       SER  18   0.503   0.812  -9.574
  141    H    SER  19           H        SER  19   0.587  -3.383  -6.998
  142    HA   SER  19           HA       SER  19  -1.648  -4.875  -7.621
  143    HB2  SER  19           2HB      SER  19   0.414  -5.449  -5.479
  144    HB3  SER  19           1HB      SER  19  -0.699  -6.634  -6.163
  145    HG   SER  19           HG       SER  19   1.245  -5.163  -7.621
  146    H    ILE  20           H        ILE  20  -0.973  -3.039  -4.734
  147    HA   ILE  20           HA       ILE  20  -3.601  -3.839  -3.664
  148    HB   ILE  20           HB       ILE  20  -1.177  -3.034  -2.049
  149   HG12  ILE  20          2HG1      ILE  20  -0.877  -5.250  -3.024
  150   HG13  ILE  20          1HG1      ILE  20  -1.171  -5.388  -1.293
  151   HG21  ILE  20          1HG2      ILE  20  -2.551  -3.772  -0.123
  152   HG22  ILE  20          2HG2      ILE  20  -3.922  -3.955  -1.216
  153   HG23  ILE  20          3HG2      ILE  20  -3.211  -2.364  -0.953
  154   HD11  ILE  20          3HD1      ILE  20  -2.372  -7.093  -2.528
  155   HD12  ILE  20          1HD1      ILE  20  -3.196  -5.850  -3.469
  156   HD13  ILE  20          2HD1      ILE  20  -3.492  -5.985  -1.736
  157    H    ALA  21           H        ALA  21  -4.750  -2.197  -2.472
  158    HA   ALA  21           HA       ALA  21  -4.935   0.251  -3.736
  159    HB1  ALA  21           1HB      ALA  21  -6.691  -0.687  -2.308
  160    HB2  ALA  21           2HB      ALA  21  -6.306   0.976  -1.864
  161    HB3  ALA  21           3HB      ALA  21  -5.701  -0.361  -0.884
  162    H    TYR  22           H        TYR  22  -3.822   2.096  -3.671
  163    HA   TYR  22           HA       TYR  22  -1.713   2.353  -1.643
  164    HB2  TYR  22           2HB      TYR  22  -0.589   3.858  -3.198
  165    HB3  TYR  22           1HB      TYR  22  -0.958   2.330  -3.991
  166    HD1  TYR  22           2HD      TYR  22  -2.968   2.227  -5.533
  167    HD2  TYR  22           1HD      TYR  22  -1.381   5.894  -4.071
  168    HE1  TYR  22           2HE      TYR  22  -4.122   3.439  -7.336
  169    HE2  TYR  22           1HE      TYR  22  -2.531   7.116  -5.868
  170    HH   TYR  22           HH       TYR  22  -3.439   6.668  -8.111
  171    H    GLY  23           H        GLY  23  -1.175   4.586  -0.968
  172    HA2  GLY  23           2HA      GLY  23  -1.768   6.771  -0.371
  173    HA3  GLY  23           1HA      GLY  23  -3.348   6.517  -1.094
  174    H    GLY  24           H        GLY  24  -1.391   5.307   1.633
  175    HA2  GLY  24           2HA      GLY  24  -2.026   5.458   3.903
  176    HA3  GLY  24           1HA      GLY  24  -3.677   5.777   3.396
  177    H    GLY  25           H        GLY  25  -4.048   3.616   1.646
  178    HA2  GLY  25           2HA      GLY  25  -3.928   1.203   1.657
  179    HA3  GLY  25           1HA      GLY  25  -3.661   1.273   3.393
  Start of MODEL   16
    1    H1   GLY   1           1HT      GLY   1  -9.890  -5.789  -7.287
    2    H2   GLY   1           2HT      GLY   1 -11.444  -6.284  -7.735
    3    H3   GLY   1           3HT      GLY   1 -10.317  -7.423  -7.192
    4    HA2  GLY   1           1HA      GLY   1 -11.498  -5.235  -5.569
    5    HA3  GLY   1           2HA      GLY   1 -11.940  -6.932  -5.469
    6    H    VAL   2           H        VAL   2  -9.969  -4.518  -4.228
    7    HA   VAL   2           HA       VAL   2  -7.773  -6.163  -3.387
    8    HB   VAL   2           HB       VAL   2  -7.025  -4.261  -2.103
    9   HG11  VAL   2          1HG1      VAL   2  -8.162  -3.397  -4.759
   10   HG12  VAL   2          2HG1      VAL   2  -6.612  -4.197  -4.497
   11   HG13  VAL   2          3HG1      VAL   2  -6.881  -2.570  -3.872
   12   HG21  VAL   2          3HG2      VAL   2  -9.695  -3.006  -2.735
   13   HG22  VAL   2          1HG2      VAL   2  -8.352  -2.212  -1.914
   14   HG23  VAL   2          2HG2      VAL   2  -9.166  -3.581  -1.154
   15    H    VAL   3           H        VAL   3  -7.462  -7.187  -1.473
   16    HA   VAL   3           HA       VAL   3  -8.985  -6.692   0.863
   17    HB   VAL   3           HB       VAL   3 -10.687  -7.853  -0.537
   18   HG11  VAL   3          1HG1      VAL   3  -8.824 -10.203  -0.270
   19   HG12  VAL   3          2HG1      VAL   3  -9.255  -9.366  -1.762
   20   HG13  VAL   3          3HG1      VAL   3 -10.478 -10.277  -0.878
   21   HG21  VAL   3          3HG2      VAL   3 -10.657  -7.885   1.971
   22   HG22  VAL   3          1HG2      VAL   3  -9.913  -9.480   1.873
   23   HG23  VAL   3          2HG2      VAL   3 -11.529  -9.219   1.218
   24    H    ARG   4           H        ARG   4  -6.269  -7.024   0.055
   25    HA   ARG   4           HA       ARG   4  -5.347  -8.656   2.168
   26    HB2  ARG   4           2HB      ARG   4  -3.991 -10.185   0.548
   27    HB3  ARG   4           1HB      ARG   4  -5.658 -10.589   0.935
   28    HG2  ARG   4           2HG      ARG   4  -6.393  -9.560  -1.161
   29    HG3  ARG   4           1HG      ARG   4  -4.714  -9.172  -1.551
   30    HD2  ARG   4           2HD      ARG   4  -5.452 -11.201  -2.701
   31    HD3  ARG   4           1HD      ARG   4  -4.154 -11.544  -1.559
   32    HE   ARG   4           HE       ARG   4  -6.570 -11.954  -0.237
   33   HH11  ARG   4          1HH1      ARG   4  -4.786 -13.326  -2.904
   34   HH12  ARG   4          2HH1      ARG   4  -5.442 -14.914  -2.690
   35   HH21  ARG   4          1HH2      ARG   4  -7.437 -14.040   0.044
   36   HH22  ARG   4          2HH2      ARG   4  -6.948 -15.320  -1.016
   37    H    GLN   5           H        GLN   5  -3.474  -7.831   2.842
   38    HA   GLN   5           HA       GLN   5  -2.028  -6.039   1.032
   39    HB2  GLN   5           2HB      GLN   5  -1.021  -5.095   3.045
   40    HB3  GLN   5           1HB      GLN   5  -2.775  -5.087   3.164
   41    HG2  GLN   5           2HG      GLN   5  -2.688  -7.079   4.575
   42    HG3  GLN   5           1HG      GLN   5  -0.928  -7.083   4.455
   43   HE21  GLN   5          1HE2      GLN   5  -0.667  -6.863   6.670
   44   HE22  GLN   5          2HE2      GLN   5  -0.994  -5.381   7.497
   45    H    TRP   6           H        TRP   6   0.378  -5.966   1.317
   46    HA   TRP   6           HA       TRP   6   1.603  -8.482   2.108
   47    HB2  TRP   6           2HB      TRP   6   2.641  -8.912  -0.018
   48    HB3  TRP   6           1HB      TRP   6   0.916  -8.725  -0.297
   49    HD1  TRP   6           HD       TRP   6   0.522  -5.726  -0.663
   50    HE1  TRP   6           1HE      TRP   6   1.607  -4.431  -2.603
   51    HE3  TRP   6           3HE      TRP   6   4.342  -8.943  -1.740
   52    HZ2  TRP   6           2HZ      TRP   6   3.803  -4.732  -4.354
   53    HZ3  TRP   6           3HZ      TRP   6   5.893  -8.364  -3.562
   54    HH2  TRP   6           HH       TRP   6   5.624  -6.303  -4.841
   55    H    SER   7           H        SER   7   4.119  -7.972   0.891
   56    HA   SER   7           HA       SER   7   5.009  -5.774   2.594
   57    HB2  SER   7           2HB      SER   7   6.590  -7.932   1.177
   58    HB3  SER   7           1HB      SER   7   7.269  -6.723   2.268
   59    HG   SER   7           HG       SER   7   6.906  -8.508   3.497
   60    H    GLY   8           H        GLY   8   3.703  -4.827   0.394
   61    HA2  GLY   8           2HA      GLY   8   5.886  -3.932  -1.383
   62    HA3  GLY   8           1HA      GLY   8   4.206  -4.057  -1.876
   63    H    TYR   9           H        TYR   9   5.128  -2.758   1.227
   64    HA   TYR   9           HA       TYR   9   3.943  -0.207   0.467
   65    HB2  TYR   9           2HB      TYR   9   3.175  -1.175   2.554
   66    HB3  TYR   9           1HB      TYR   9   4.828  -1.287   3.151
   67    HD1  TYR   9           2HD      TYR   9   2.256   1.179   2.060
   68    HD2  TYR   9           1HD      TYR   9   5.752   0.467   4.380
   69    HE1  TYR   9           2HE      TYR   9   2.047   3.418   3.055
   70    HE2  TYR   9           1HE      TYR   9   5.554   2.705   5.378
   71    HH   TYR   9           HH       TYR   9   4.532   4.878   4.841
   72    H    ASP  10           H        ASP  10   5.140   1.439  -0.172
   73    HA   ASP  10           HA       ASP  10   8.011   1.414   0.412
   74    HB2  ASP  10           2HB      ASP  10   6.406   2.906  -1.668
   75    HB3  ASP  10           1HB      ASP  10   8.137   3.120  -1.420
   76    HA   PRO  11           HA       PRO  11   6.571   4.553   3.456
   77    HB2  PRO  11           2HB      PRO  11   8.953   4.412   4.868
   78    HB3  PRO  11           1HB      PRO  11   7.520   3.422   5.200
   79    HG2  PRO  11           2HG      PRO  11   9.988   2.723   3.709
   80    HG3  PRO  11           1HG      PRO  11   9.001   1.732   4.802
   81    HD2  PRO  11           2HD      PRO  11   8.871   1.457   2.132
   82    HD3  PRO  11           1HD      PRO  11   7.451   1.232   3.173
   83    H    ARG  12           H        ARG  12   9.316   4.319   1.359
   84    HA   ARG  12           HA       ARG  12  10.626   6.724   1.883
   85    HB2  ARG  12           2HB      ARG  12  10.250   5.502  -0.854
   86    HB3  ARG  12           1HB      ARG  12  11.557   6.553  -0.331
   87    HG2  ARG  12           2HG      ARG  12  12.315   4.801   1.222
   88    HG3  ARG  12           1HG      ARG  12  11.037   3.745   0.617
   89    HD2  ARG  12           2HD      ARG  12  12.030   4.100  -1.688
   90    HD3  ARG  12           1HD      ARG  12  13.412   4.832  -0.875
   91    HE   ARG  12           HE       ARG  12  12.728   2.222   0.112
   92   HH11  ARG  12          2HH1      ARG  12  14.533   3.988  -2.295
   93   HH12  ARG  12          1HH1      ARG  12  15.669   2.709  -2.563
   94   HH21  ARG  12          1HH2      ARG  12  14.224   0.537  -0.235
   95   HH22  ARG  12          2HH2      ARG  12  15.495   0.751  -1.394
   96    H    THR  13           H        THR  13   7.848   6.021  -0.180
   97    HA   THR  13           HA       THR  13   7.407   8.917  -0.456
   98    HB   THR  13           HB       THR  13   6.412   8.585  -2.596
   99    HG1  THR  13           1HG      THR  13   6.604   5.804  -1.999
  100   HG21  THR  13          3HG2      THR  13   8.854   8.591  -2.626
  101   HG22  THR  13          1HG2      THR  13   8.225   7.525  -3.881
  102   HG23  THR  13          2HG2      THR  13   8.875   6.842  -2.390
  103    H    GLY  14           H        GLY  14   6.438   6.659   1.444
  104    HA2  GLY  14           2HA      GLY  14   4.492   6.048   2.515
  105    HA3  GLY  14           1HA      GLY  14   4.068   7.735   2.274
  106    H    THR  15           H        THR  15   4.405   5.047  -0.039
  107    HA   THR  15           HA       THR  15   1.551   4.963  -0.477
  108    HB   THR  15           HB       THR  15   1.727   5.424  -2.916
  109    HG1  THR  15           1HG      THR  15   4.367   6.149  -2.156
  110   HG21  THR  15          3HG2      THR  15   2.599   7.726  -1.165
  111   HG22  THR  15          1HG2      THR  15   0.943   7.146  -1.333
  112   HG23  THR  15          2HG2      THR  15   1.776   7.847  -2.721
  113    H    TRP  16           H        TRP  16   0.891   3.225  -1.847
  114    HA   TRP  16           HA       TRP  16   2.746   0.997  -1.757
  115    HB2  TRP  16           2HB      TRP  16  -0.177   1.171  -2.509
  116    HB3  TRP  16           1HB      TRP  16   0.746  -0.330  -2.473
  117    HD1  TRP  16           HD       TRP  16  -0.425   2.462  -0.065
  118    HE1  TRP  16           1HE      TRP  16  -0.659   1.445   2.286
  119    HE3  TRP  16           3HE      TRP  16   1.357  -2.231  -1.031
  120    HZ2  TRP  16           2HZ      TRP  16  -0.156  -1.019   3.564
  121    HZ3  TRP  16           3HZ      TRP  16   1.447  -3.859   0.814
  122    HH2  TRP  16           HH       TRP  16   0.707  -3.263   3.062
  123    H    ARG  17           H        ARG  17   3.135  -0.385  -3.594
  124    HA   ARG  17           HA       ARG  17   3.208   1.140  -6.102
  125    HB2  ARG  17           2HB      ARG  17   4.987  -0.534  -6.750
  126    HB3  ARG  17           1HB      ARG  17   5.407   0.559  -5.438
  127    HG2  ARG  17           2HG      ARG  17   4.925  -1.194  -3.812
  128    HG3  ARG  17           1HG      ARG  17   4.485  -2.292  -5.122
  129    HD2  ARG  17           2HD      ARG  17   6.746  -2.155  -6.014
  130    HD3  ARG  17           1HD      ARG  17   7.191  -1.012  -4.747
  131    HE   ARG  17           HE       ARG  17   6.221  -3.324  -3.522
  132   HH11  ARG  17          2HH1      ARG  17   8.929  -2.332  -5.486
  133   HH12  ARG  17          1HH1      ARG  17  10.004  -3.516  -4.824
  134   HH21  ARG  17          2HH2      ARG  17   7.633  -4.882  -2.649
  135   HH22  ARG  17          1HH2      ARG  17   9.269  -4.965  -3.214
  136    H    SER  18           H        SER  18   2.441  -2.035  -4.769
  137    HA   SER  18           HA       SER  18   1.680  -3.247  -7.200
  138    HB2  SER  18           2HB      SER  18   0.455  -4.867  -5.713
  139    HB3  SER  18           1HB      SER  18   2.153  -4.641  -5.303
  140    HG   SER  18           HG       SER  18   0.000  -4.232  -3.776
  141    H    SER  19           H        SER  19  -0.716  -4.199  -7.249
  142    HA   SER  19           HA       SER  19  -2.385  -1.987  -7.879
  143    HB2  SER  19           2HB      SER  19  -2.515  -4.089  -9.130
  144    HB3  SER  19           1HB      SER  19  -3.056  -4.932  -7.679
  145    HG   SER  19           HG       SER  19  -4.493  -3.493  -9.448
  146    H    ILE  20           H        ILE  20  -1.747  -3.565  -4.957
  147    HA   ILE  20           HA       ILE  20  -4.246  -3.546  -3.695
  148    HB   ILE  20           HB       ILE  20  -1.523  -3.126  -2.452
  149   HG12  ILE  20          2HG1      ILE  20  -1.691  -5.218  -3.729
  150   HG13  ILE  20          1HG1      ILE  20  -1.598  -5.538  -2.000
  151   HG21  ILE  20          1HG2      ILE  20  -3.221  -2.431  -0.908
  152   HG22  ILE  20          2HG2      ILE  20  -2.619  -4.008  -0.398
  153   HG23  ILE  20          3HG2      ILE  20  -4.171  -3.883  -1.225
  154   HD11  ILE  20          3HD1      ILE  20  -4.080  -5.600  -3.700
  155   HD12  ILE  20          1HD1      ILE  20  -4.033  -5.859  -1.955
  156   HD13  ILE  20          2HD1      ILE  20  -3.217  -6.989  -3.038
  157    H    ALA  21           H        ALA  21  -5.040  -2.060  -2.052
  158    HA   ALA  21           HA       ALA  21  -5.388   0.523  -2.903
  159    HB1  ALA  21           1HB      ALA  21  -5.414  -0.385  -0.028
  160    HB2  ALA  21           2HB      ALA  21  -6.748  -0.567  -1.167
  161    HB3  ALA  21           3HB      ALA  21  -6.212   1.043  -0.686
  162    H    TYR  22           H        TYR  22  -4.132   2.251  -3.044
  163    HA   TYR  22           HA       TYR  22  -1.549   2.235  -1.685
  164    HB2  TYR  22           2HB      TYR  22  -0.915   4.008  -3.226
  165    HB3  TYR  22           1HB      TYR  22  -1.598   2.652  -4.118
  166    HD1  TYR  22           1HD      TYR  22  -3.991   2.824  -4.929
  167    HD2  TYR  22           2HD      TYR  22  -1.844   6.163  -3.397
  168    HE1  TYR  22           1HE      TYR  22  -5.592   4.344  -6.013
  169    HE2  TYR  22           2HE      TYR  22  -3.441   7.691  -4.474
  170    HH   TYR  22           HH       TYR  22  -6.404   6.649  -5.760
  171    H    GLY  23           H        GLY  23  -0.726   4.291  -0.798
  172    HA2  GLY  23           2HA      GLY  23  -0.881   6.062   0.658
  173    HA3  GLY  23           1HA      GLY  23  -2.441   6.414  -0.073
  174    H    GLY  24           H        GLY  24  -0.871   4.259   2.278
  175    HA2  GLY  24           2HA      GLY  24  -1.681   4.136   4.537
  176    HA3  GLY  24           1HA      GLY  24  -3.293   4.492   3.936
  177    H    GLY  25           H        GLY  25  -3.489   2.673   1.852
  178    HA2  GLY  25           2HA      GLY  25  -3.356   0.325   1.406
  179    HA3  GLY  25           1HA      GLY  25  -3.033   0.055   3.111
  Start of MODEL   17
    1    H1   GLY   1           1HT      GLY   1 -14.001  -8.984   0.199
    2    H2   GLY   1           2HT      GLY   1 -12.467  -9.204   0.877
    3    H3   GLY   1           3HT      GLY   1 -12.671  -9.297  -0.800
    4    HA2  GLY   1           1HA      GLY   1 -13.282  -6.960  -0.888
    5    HA3  GLY   1           2HA      GLY   1 -13.067  -6.862   0.853
    6    H    VAL   2           H        VAL   2 -11.642  -5.073  -0.280
    7    HA   VAL   2           HA       VAL   2  -9.090  -5.992  -1.236
    8    HB   VAL   2           HB       VAL   2 -10.039  -3.877  -2.043
    9   HG11  VAL   2          1HG1      VAL   2 -11.162  -3.166   0.003
   10   HG12  VAL   2          2HG1      VAL   2 -10.094  -1.902  -0.604
   11   HG13  VAL   2          3HG1      VAL   2  -9.601  -2.888   0.773
   12   HG21  VAL   2          3HG2      VAL   2  -7.468  -3.534  -0.502
   13   HG22  VAL   2          1HG2      VAL   2  -8.022  -2.498  -1.818
   14   HG23  VAL   2          2HG2      VAL   2  -7.630  -4.190  -2.132
   15    H    VAL   3           H        VAL   3  -7.304  -6.392  -0.092
   16    HA   VAL   3           HA       VAL   3  -6.907  -5.213   2.528
   17    HB   VAL   3           HB       VAL   3  -6.506  -7.371   3.644
   18   HG11  VAL   3          1HG1      VAL   3  -9.278  -7.113   2.480
   19   HG12  VAL   3          2HG1      VAL   3  -8.665  -6.252   3.892
   20   HG13  VAL   3          3HG1      VAL   3  -8.845  -8.006   3.939
   21   HG21  VAL   3          3HG2      VAL   3  -6.004  -8.728   1.686
   22   HG22  VAL   3          1HG2      VAL   3  -7.669  -8.570   1.129
   23   HG23  VAL   3          2HG2      VAL   3  -7.317  -9.448   2.617
   24    H    ARG   4           H        ARG   4  -4.749  -5.735   3.416
   25    HA   ARG   4           HA       ARG   4  -2.727  -5.345   1.536
   26    HB2  ARG   4           2HB      ARG   4  -2.495  -6.438   4.346
   27    HB3  ARG   4           1HB      ARG   4  -1.162  -5.811   3.387
   28    HG2  ARG   4           2HG      ARG   4  -2.221  -3.609   3.352
   29    HG3  ARG   4           1HG      ARG   4  -3.557  -4.240   4.317
   30    HD2  ARG   4           2HD      ARG   4  -1.951  -3.045   5.711
   31    HD3  ARG   4           1HD      ARG   4  -2.013  -4.756   6.133
   32    HE   ARG   4           HE       ARG   4   0.036  -4.360   4.259
   33   HH11  ARG   4          1HH1      ARG   4  -0.727  -3.603   7.579
   34   HH12  ARG   4          2HH1      ARG   4   0.931  -3.558   8.080
   35   HH21  ARG   4          1HH2      ARG   4   2.215  -4.301   4.916
   36   HH22  ARG   4          2HH2      ARG   4   2.601  -3.955   6.569
   37    H    GLN   5           H        GLN   5  -2.007  -6.705   0.051
   38    HA   GLN   5           HA       GLN   5  -2.254  -9.578   0.457
   39    HB2  GLN   5           2HB      GLN   5  -3.027  -8.742  -1.669
   40    HB3  GLN   5           1HB      GLN   5  -1.493  -7.935  -1.958
   41    HG2  GLN   5           2HG      GLN   5  -0.369 -10.089  -2.100
   42    HG3  GLN   5           1HG      GLN   5  -1.897 -10.912  -1.783
   43   HE21  GLN   5          1HE2      GLN   5  -0.111 -11.087  -4.087
   44   HE22  GLN   5          2HE2      GLN   5  -1.066 -10.670  -5.464
   45    H    TRP   6           H        TRP   6   0.150  -7.100   0.457
   46    HA   TRP   6           HA       TRP   6   2.143  -8.927   1.401
   47    HB2  TRP   6           2HB      TRP   6   3.752  -8.645  -0.395
   48    HB3  TRP   6           1HB      TRP   6   2.252  -9.265  -1.069
   49    HD1  TRP   6           HD       TRP   6   0.610  -6.656  -1.465
   50    HE1  TRP   6           1HE      TRP   6   1.328  -4.902  -3.208
   51    HE3  TRP   6           3HE      TRP   6   5.543  -7.919  -1.896
   52    HZ2  TRP   6           2HZ      TRP   6   3.680  -4.153  -4.582
   53    HZ3  TRP   6           3HZ      TRP   6   6.960  -6.633  -3.444
   54    HH2  TRP   6           HH       TRP   6   6.046  -4.790  -4.759
   55    H    SER   7           H        SER   7   4.407  -7.322   0.884
   56    HA   SER   7           HA       SER   7   3.807  -5.060   2.630
   57    HB2  SER   7           2HB      SER   7   5.611  -6.557   3.334
   58    HB3  SER   7           1HB      SER   7   6.461  -6.269   1.816
   59    HG   SER   7           HG       SER   7   5.772  -4.173   3.587
   60    H    GLY   8           H        GLY   8   3.156  -5.049  -0.250
   61    HA2  GLY   8           2HA      GLY   8   4.933  -3.619  -1.822
   62    HA3  GLY   8           1HA      GLY   8   3.186  -3.521  -1.961
   63    H    TYR   9           H        TYR   9   2.983  -2.502   0.830
   64    HA   TYR   9           HA       TYR   9   2.844   0.218   0.305
   65    HB2  TYR   9           2HB      TYR   9   1.654  -0.814   2.167
   66    HB3  TYR   9           1HB      TYR   9   3.178  -1.176   2.970
   67    HD1  TYR   9           1HD      TYR   9   1.261   1.738   1.629
   68    HD2  TYR   9           2HD      TYR   9   3.945   0.285   4.592
   69    HE1  TYR   9           1HE      TYR   9   1.161   3.910   2.777
   70    HE2  TYR   9           2HE      TYR   9   3.852   2.453   5.748
   71    HH   TYR   9           HH       TYR   9   1.533   4.820   5.035
   72    H    ASP  10           H        ASP  10   4.351   1.701   0.003
   73    HA   ASP  10           HA       ASP  10   7.063   1.195   1.002
   74    HB2  ASP  10           2HB      ASP  10   6.829   1.552  -1.426
   75    HB3  ASP  10           1HB      ASP  10   6.125   3.136  -1.120
   76    HA   PRO  11           HA       PRO  11   5.914   4.383   4.015
   77    HB2  PRO  11           2HB      PRO  11   8.500   3.729   5.229
   78    HB3  PRO  11           1HB      PRO  11   6.872   3.553   5.905
   79    HG2  PRO  11           2HG      PRO  11   8.402   1.450   5.217
   80    HG3  PRO  11           1HG      PRO  11   6.630   1.427   5.147
   81    HD2  PRO  11           2HD      PRO  11   8.602   1.725   2.933
   82    HD3  PRO  11           1HD      PRO  11   7.052   0.859   2.961
   83    H    ARG  12           H        ARG  12   9.092   3.936   2.531
   84    HA   ARG  12           HA       ARG  12  10.245   6.387   3.100
   85    HB2  ARG  12           2HB      ARG  12  10.533   4.505   0.780
   86    HB3  ARG  12           1HB      ARG  12  11.411   6.027   0.809
   87    HG2  ARG  12           2HG      ARG  12  12.847   4.315   1.636
   88    HG3  ARG  12           1HG      ARG  12  12.395   5.354   2.987
   89    HD2  ARG  12           2HD      ARG  12  12.307   3.032   3.659
   90    HD3  ARG  12           1HD      ARG  12  10.684   3.717   3.649
   91    HE   ARG  12           HE       ARG  12  10.867   2.599   1.205
   92   HH11  ARG  12          2HH1      ARG  12  11.526   1.374   4.406
   93   HH12  ARG  12          1HH1      ARG  12  11.122  -0.260   3.999
   94   HH21  ARG  12          1HH2      ARG  12  10.334   0.451   0.670
   95   HH22  ARG  12          2HH2      ARG  12  10.445  -0.784   1.879
   96    H    THR  13           H        THR  13   7.694   5.632   0.864
   97    HA   THR  13           HA       THR  13   7.552   8.476   0.164
   98    HB   THR  13           HB       THR  13   6.908   7.937  -2.139
   99    HG1  THR  13           1HG      THR  13   6.590   5.922  -2.757
  100   HG21  THR  13          3HG2      THR  13   9.537   6.696  -1.319
  101   HG22  THR  13          1HG2      THR  13   9.259   8.401  -1.676
  102   HG23  THR  13          2HG2      THR  13   9.105   7.197  -2.955
  103    H    GLY  14           H        GLY  14   6.093   6.411   1.921
  104    HA2  GLY  14           2HA      GLY  14   3.926   5.819   2.467
  105    HA3  GLY  14           1HA      GLY  14   3.645   7.522   2.149
  106    H    THR  15           H        THR  15   4.278   4.702   0.046
  107    HA   THR  15           HA       THR  15   1.621   4.894  -1.083
  108    HB   THR  15           HB       THR  15   2.487   5.088  -3.430
  109    HG1  THR  15           1HG      THR  15   4.580   5.820  -3.730
  110   HG21  THR  15          3HG2      THR  15   2.757   7.526  -3.362
  111   HG22  THR  15          1HG2      THR  15   2.995   7.448  -1.617
  112   HG23  THR  15          2HG2      THR  15   1.442   6.993  -2.316
  113    H    TRP  16           H        TRP  16   1.064   3.116  -2.421
  114    HA   TRP  16           HA       TRP  16   2.598   0.726  -1.802
  115    HB2  TRP  16           2HB      TRP  16  -0.136   1.224  -2.954
  116    HB3  TRP  16           1HB      TRP  16   0.593  -0.378  -2.999
  117    HD1  TRP  16           HD       TRP  16  -0.426   2.294  -0.384
  118    HE1  TRP  16           1HE      TRP  16  -1.059   1.073   1.790
  119    HE3  TRP  16           3HE      TRP  16   0.728  -2.488  -1.773
  120    HZ2  TRP  16           2HZ      TRP  16  -1.069  -1.570   2.785
  121    HZ3  TRP  16           3HZ      TRP  16   0.378  -4.304  -0.151
  122    HH2  TRP  16           HH       TRP  16  -0.502  -3.852   2.082
  123    H    ARG  17           H        ARG  17   2.353  -0.981  -3.758
  124    HA   ARG  17           HA       ARG  17   3.443   0.342  -6.155
  125    HB2  ARG  17           2HB      ARG  17   4.318  -2.312  -5.001
  126    HB3  ARG  17           1HB      ARG  17   4.965  -1.547  -6.448
  127    HG2  ARG  17           2HG      ARG  17   5.802   0.308  -5.087
  128    HG3  ARG  17           1HG      ARG  17   5.166  -0.476  -3.640
  129    HD2  ARG  17           2HD      ARG  17   6.621  -2.402  -4.048
  130    HD3  ARG  17           1HD      ARG  17   7.257  -1.614  -5.491
  131    HE   ARG  17           HE       ARG  17   7.627   0.119  -3.339
  132   HH11  ARG  17          2HH1      ARG  17   8.760  -3.000  -4.420
  133   HH12  ARG  17          1HH1      ARG  17  10.296  -2.853  -3.633
  134   HH21  ARG  17          2HH2      ARG  17   9.645   0.312  -2.303
  135   HH22  ARG  17          1HH2      ARG  17  10.799  -0.973  -2.432
  136    H    SER  18           H        SER  18   2.286  -2.866  -5.129
  137    HA   SER  18           HA       SER  18   1.405  -3.693  -7.648
  138    HB2  SER  18           2HB      SER  18   0.411  -4.543  -4.919
  139    HB3  SER  18           1HB      SER  18   0.111  -5.409  -6.424
  140    HG   SER  18           HG       SER  18   2.394  -5.654  -6.619
  141    H    SER  19           H        SER  19  -1.149  -4.500  -7.579
  142    HA   SER  19           HA       SER  19  -2.585  -2.123  -8.178
  143    HB2  SER  19           2HB      SER  19  -4.474  -3.643  -8.646
  144    HB3  SER  19           1HB      SER  19  -2.985  -4.195  -9.411
  145    HG   SER  19           HG       SER  19  -2.746  -5.704  -7.744
  146    H    ILE  20           H        ILE  20  -1.994  -3.643  -5.237
  147    HA   ILE  20           HA       ILE  20  -4.454  -3.412  -3.915
  148    HB   ILE  20           HB       ILE  20  -1.622  -3.319  -2.882
  149   HG12  ILE  20          2HG1      ILE  20  -2.236  -5.542  -1.964
  150   HG13  ILE  20          1HG1      ILE  20  -3.818  -5.395  -2.717
  151   HG21  ILE  20          1HG2      ILE  20  -2.921  -2.015  -1.327
  152   HG22  ILE  20          2HG2      ILE  20  -2.574  -3.588  -0.610
  153   HG23  ILE  20          3HG2      ILE  20  -4.173  -3.257  -1.275
  154   HD11  ILE  20          3HD1      ILE  20  -2.852  -5.467  -4.900
  155   HD12  ILE  20          1HD1      ILE  20  -2.220  -6.818  -3.960
  156   HD13  ILE  20          2HD1      ILE  20  -1.222  -5.389  -4.233
  157    H    ALA  21           H        ALA  21  -5.142  -1.803  -2.361
  158    HA   ALA  21           HA       ALA  21  -5.324   0.755  -3.313
  159    HB1  ALA  21           1HB      ALA  21  -6.735  -0.147  -1.526
  160    HB2  ALA  21           2HB      ALA  21  -6.064   1.427  -1.100
  161    HB3  ALA  21           3HB      ALA  21  -5.377  -0.042  -0.406
  162    H    TYR  22           H        TYR  22  -4.045   2.483  -3.424
  163    HA   TYR  22           HA       TYR  22  -1.435   2.351  -2.099
  164    HB2  TYR  22           2HB      TYR  22  -0.686   3.986  -3.740
  165    HB3  TYR  22           1HB      TYR  22  -1.439   2.617  -4.553
  166    HD1  TYR  22           1HD      TYR  22  -3.784   2.867  -5.433
  167    HD2  TYR  22           2HD      TYR  22  -1.519   6.177  -4.016
  168    HE1  TYR  22           1HE      TYR  22  -5.295   4.402  -6.621
  169    HE2  TYR  22           2HE      TYR  22  -3.024   7.722  -5.196
  170    HH   TYR  22           HH       TYR  22  -6.006   6.748  -6.498
  171    H    GLY  23           H        GLY  23  -0.513   4.357  -1.255
  172    HA2  GLY  23           2HA      GLY  23  -0.653   6.449  -0.220
  173    HA3  GLY  23           1HA      GLY  23  -2.378   6.475  -0.557
  174    H    GLY  24           H        GLY  24  -3.427   4.373   0.646
  175    HA2  GLY  24           2HA      GLY  24  -2.399   4.321   3.400
  176    HA3  GLY  24           1HA      GLY  24  -4.062   4.817   3.120
  177    H    GLY  25           H        GLY  25  -1.897   2.182   3.448
  178    HA2  GLY  25           2HA      GLY  25  -4.173   0.341   3.337
  179    HA3  GLY  25           1HA      GLY  25  -2.785  -0.013   2.320
  Start of MODEL   18
    1    H1   GLY   1           1HT      GLY   1 -14.757  -2.482   0.164
    2    H2   GLY   1           2HT      GLY   1 -15.310  -3.827   1.028
    3    H3   GLY   1           3HT      GLY   1 -16.153  -3.296  -0.339
    4    HA2  GLY   1           1HA      GLY   1 -14.871  -5.264  -0.865
    5    HA3  GLY   1           2HA      GLY   1 -14.298  -3.867  -1.763
    6    H    VAL   2           H        VAL   2 -13.313  -6.484  -0.056
    7    HA   VAL   2           HA       VAL   2 -10.885  -5.189   0.970
    8    HB   VAL   2           HB       VAL   2 -10.474  -7.283   2.193
    9   HG11  VAL   2          1HG1      VAL   2 -11.720  -5.506   3.285
   10   HG12  VAL   2          2HG1      VAL   2 -12.320  -7.082   3.799
   11   HG13  VAL   2          3HG1      VAL   2 -13.230  -6.133   2.623
   12   HG21  VAL   2          3HG2      VAL   2 -13.126  -8.160   1.049
   13   HG22  VAL   2          1HG2      VAL   2 -12.197  -9.022   2.275
   14   HG23  VAL   2          2HG2      VAL   2 -11.547  -8.835   0.646
   15    H    VAL   3           H        VAL   3  -8.846  -6.476   0.722
   16    HA   VAL   3           HA       VAL   3  -8.724  -8.184  -1.627
   17    HB   VAL   3           HB       VAL   3  -7.018  -6.876  -2.760
   18   HG11  VAL   3          1HG1      VAL   3  -8.394  -5.001  -3.520
   19   HG12  VAL   3          2HG1      VAL   3  -9.464  -5.226  -2.137
   20   HG13  VAL   3          3HG1      VAL   3  -9.342  -6.480  -3.371
   21   HG21  VAL   3          3HG2      VAL   3  -6.466  -4.597  -2.033
   22   HG22  VAL   3          1HG2      VAL   3  -6.001  -5.800  -0.830
   23   HG23  VAL   3          2HG2      VAL   3  -7.452  -4.825  -0.588
   24    H    ARG   4           H        ARG   4  -6.131  -8.502  -2.035
   25    HA   ARG   4           HA       ARG   4  -5.213  -9.670   0.458
   26    HB2  ARG   4           2HB      ARG   4  -3.500 -10.748  -0.924
   27    HB3  ARG   4           1HB      ARG   4  -5.109 -11.006  -1.585
   28    HG2  ARG   4           2HG      ARG   4  -4.718  -9.252  -3.235
   29    HG3  ARG   4           1HG      ARG   4  -3.104  -8.987  -2.571
   30    HD2  ARG   4           2HD      ARG   4  -4.109 -11.549  -3.805
   31    HD3  ARG   4           1HD      ARG   4  -3.034 -10.385  -4.578
   32    HE   ARG   4           HE       ARG   4  -1.893 -11.191  -2.147
   33   HH11  ARG   4          1HH1      ARG   4  -2.635 -12.485  -5.302
   34   HH12  ARG   4          2HH1      ARG   4  -1.341 -13.634  -5.274
   35   HH21  ARG   4          1HH2      ARG   4  -0.190 -12.701  -2.106
   36   HH22  ARG   4          2HH2      ARG   4   0.048 -13.758  -3.459
   37    H    GLN   5           H        GLN   5  -3.723  -8.804   1.747
   38    HA   GLN   5           HA       GLN   5  -2.300  -6.419   0.811
   39    HB2  GLN   5           2HB      GLN   5  -1.926  -5.896   3.152
   40    HB3  GLN   5           1HB      GLN   5  -3.633  -6.204   2.877
   41    HG2  GLN   5           2HG      GLN   5  -1.884  -8.428   3.807
   42    HG3  GLN   5           1HG      GLN   5  -2.410  -7.200   4.955
   43   HE21  GLN   5          1HE2      GLN   5  -3.637  -8.675   6.116
   44   HE22  GLN   5          2HE2      GLN   5  -5.132  -9.305   5.520
   45    H    TRP   6           H        TRP   6  -0.053  -6.126   1.690
   46    HA   TRP   6           HA       TRP   6   1.496  -8.375   2.444
   47    HB2  TRP   6           2HB      TRP   6   2.736  -8.788   0.423
   48    HB3  TRP   6           1HB      TRP   6   1.024  -8.935   0.047
   49    HD1  TRP   6           HD       TRP   6   0.258  -5.949  -0.481
   50    HE1  TRP   6           1HE      TRP   6   1.187  -4.710  -2.537
   51    HE3  TRP   6           3HE      TRP   6   4.355  -8.863  -1.399
   52    HZ2  TRP   6           2HZ      TRP   6   3.372  -4.938  -4.314
   53    HZ3  TRP   6           3HZ      TRP   6   5.814  -8.285  -3.295
   54    HH2  TRP   6           HH       TRP   6   5.331  -6.363  -4.722
   55    H    SER   7           H        SER   7   3.983  -7.625   1.427
   56    HA   SER   7           HA       SER   7   4.413  -5.157   2.911
   57    HB2  SER   7           2HB      SER   7   6.807  -5.757   2.768
   58    HB3  SER   7           1HB      SER   7   5.842  -7.073   3.437
   59    HG   SER   7           HG       SER   7   7.071  -8.044   1.932
   60    H    GLY   8           H        GLY   8   3.103  -4.713   0.504
   61    HA2  GLY   8           2HA      GLY   8   5.161  -3.775  -1.361
   62    HA3  GLY   8           1HA      GLY   8   3.440  -3.896  -1.699
   63    H    TYR   9           H        TYR   9   4.673  -2.436   1.225
   64    HA   TYR   9           HA       TYR   9   3.551   0.125   0.347
   65    HB2  TYR   9           2HB      TYR   9   2.652  -0.726   2.437
   66    HB3  TYR   9           1HB      TYR   9   4.273  -0.886   3.105
   67    HD1  TYR   9           1HD      TYR   9   2.020   1.715   1.646
   68    HD2  TYR   9           2HD      TYR   9   5.072   0.805   4.467
   69    HE1  TYR   9           1HE      TYR   9   1.866   4.001   2.542
   70    HE2  TYR   9           2HE      TYR   9   4.927   3.087   5.370
   71    HH   TYR   9           HH       TYR   9   2.381   5.202   4.622
   72    H    ASP  10           H        ASP  10   4.756   1.921   0.105
   73    HA   ASP  10           HA       ASP  10   7.632   1.706   0.707
   74    HB2  ASP  10           2HB      ASP  10   7.156   1.772  -1.709
   75    HB3  ASP  10           1HB      ASP  10   6.296   3.295  -1.495
   76    HA   PRO  11           HA       PRO  11   6.180   5.068   3.461
   77    HB2  PRO  11           2HB      PRO  11   8.320   4.859   5.159
   78    HB3  PRO  11           1HB      PRO  11   6.862   3.858   5.296
   79    HG2  PRO  11           2HG      PRO  11   9.501   3.185   4.101
   80    HG3  PRO  11           1HG      PRO  11   8.424   2.193   5.105
   81    HD2  PRO  11           2HD      PRO  11   8.567   1.906   2.424
   82    HD3  PRO  11           1HD      PRO  11   7.070   1.626   3.337
   83    H    ARG  12           H        ARG  12   9.164   4.545   1.754
   84    HA   ARG  12           HA       ARG  12  10.488   6.944   2.326
   85    HB2  ARG  12           2HB      ARG  12  10.554   5.294  -0.207
   86    HB3  ARG  12           1HB      ARG  12  11.711   6.551   0.214
   87    HG2  ARG  12           2HG      ARG  12  12.384   5.257   2.183
   88    HG3  ARG  12           1HG      ARG  12  11.245   3.989   1.728
   89    HD2  ARG  12           2HD      ARG  12  13.595   4.935   0.089
   90    HD3  ARG  12           1HD      ARG  12  13.523   3.441   1.025
   91    HE   ARG  12           HE       ARG  12  11.372   3.470  -0.766
   92   HH11  ARG  12          2HH1      ARG  12  14.857   3.265  -0.812
   93   HH12  ARG  12          1HH1      ARG  12  14.909   2.344  -2.277
   94   HH21  ARG  12          1HH2      ARG  12  11.440   2.258  -2.695
   95   HH22  ARG  12          2HH2      ARG  12  12.968   1.772  -3.346
   96    H    THR  13           H        THR  13   7.866   6.212   0.133
   97    HA   THR  13           HA       THR  13   7.670   9.074  -0.482
   98    HB   THR  13           HB       THR  13   7.020   8.597  -2.791
   99    HG1  THR  13           1HG      THR  13   7.456   6.367  -3.524
  100   HG21  THR  13          3HG2      THR  13   9.384   9.034  -2.320
  101   HG22  THR  13          1HG2      THR  13   9.203   7.897  -3.656
  102   HG23  THR  13          2HG2      THR  13   9.653   7.311  -2.054
  103    H    GLY  14           H        GLY  14   6.270   7.009   1.282
  104    HA2  GLY  14           2HA      GLY  14   4.127   6.428   1.898
  105    HA3  GLY  14           1HA      GLY  14   3.769   8.081   1.429
  106    H    THR  15           H        THR  15   4.422   4.985  -0.236
  107    HA   THR  15           HA       THR  15   1.835   5.119  -1.533
  108    HB   THR  15           HB       THR  15   2.832   4.863  -3.822
  109    HG1  THR  15           1HG      THR  15   4.970   5.346  -4.119
  110   HG21  THR  15          3HG2      THR  15   1.851   6.981  -3.113
  111   HG22  THR  15          1HG2      THR  15   3.255   7.262  -4.142
  112   HG23  THR  15          2HG2      THR  15   3.387   7.465  -2.396
  113    H    TRP  16           H        TRP  16   1.365   3.185  -2.810
  114    HA   TRP  16           HA       TRP  16   2.777   0.853  -1.724
  115    HB2  TRP  16           2HB      TRP  16  -0.032   1.330  -2.647
  116    HB3  TRP  16           1HB      TRP  16   0.622  -0.305  -2.691
  117    HD1  TRP  16           HD       TRP  16  -0.017   2.535  -0.138
  118    HE1  TRP  16           1HE      TRP  16  -0.419   1.459   2.165
  119    HE3  TRP  16           3HE      TRP  16   0.881  -2.348  -1.355
  120    HZ2  TRP  16           2HZ      TRP  16  -0.362  -1.118   3.314
  121    HZ3  TRP  16           3HZ      TRP  16   0.686  -4.057   0.404
  122    HH2  TRP  16           HH       TRP  16   0.077  -3.453   2.690
  123    H    ARG  17           H        ARG  17   3.112  -1.002  -3.119
  124    HA   ARG  17           HA       ARG  17   3.996  -0.169  -5.759
  125    HB2  ARG  17           2HB      ARG  17   4.399  -2.695  -4.163
  126    HB3  ARG  17           1HB      ARG  17   4.967  -2.508  -5.816
  127    HG2  ARG  17           2HG      ARG  17   5.783  -0.778  -3.491
  128    HG3  ARG  17           1HG      ARG  17   6.732  -2.100  -4.171
  129    HD2  ARG  17           2HD      ARG  17   6.764  -0.927  -6.336
  130    HD3  ARG  17           1HD      ARG  17   5.883   0.411  -5.605
  131    HE   ARG  17           HE       ARG  17   8.676  -0.302  -5.158
  132   HH11  ARG  17          2HH1      ARG  17   5.972   1.760  -4.345
  133   HH12  ARG  17          1HH1      ARG  17   6.964   2.970  -3.604
  134   HH21  ARG  17          2HH2      ARG  17   9.971   1.292  -4.188
  135   HH22  ARG  17          1HH2      ARG  17   9.231   2.704  -3.514
  136    H    SER  18           H        SER  18   2.490  -3.196  -4.689
  137    HA   SER  18           HA       SER  18   1.413  -3.931  -7.124
  138    HB2  SER  18           2HB      SER  18   1.536  -5.458  -5.215
  139    HB3  SER  18           1HB      SER  18   0.312  -4.516  -4.364
  140    HG   SER  18           HG       SER  18  -0.041  -5.912  -6.811
  141    H    SER  19           H        SER  19  -1.162  -4.306  -7.222
  142    HA   SER  19           HA       SER  19  -2.233  -1.690  -7.675
  143    HB2  SER  19           2HB      SER  19  -4.228  -2.900  -8.495
  144    HB3  SER  19           1HB      SER  19  -2.740  -3.514  -9.216
  145    HG   SER  19           HG       SER  19  -3.228  -5.382  -8.420
  146    H    ILE  20           H        ILE  20  -2.022  -3.524  -4.911
  147    HA   ILE  20           HA       ILE  20  -4.535  -3.331  -3.723
  148    HB   ILE  20           HB       ILE  20  -1.870  -3.100  -2.316
  149   HG12  ILE  20          2HG1      ILE  20  -1.883  -5.082  -3.717
  150   HG13  ILE  20          1HG1      ILE  20  -2.067  -5.562  -2.032
  151   HG21  ILE  20          1HG2      ILE  20  -3.130  -4.154  -0.433
  152   HG22  ILE  20          2HG2      ILE  20  -4.612  -3.894  -1.355
  153   HG23  ILE  20          3HG2      ILE  20  -3.643  -2.515  -0.831
  154   HD11  ILE  20          3HD1      ILE  20  -4.470  -5.831  -2.378
  155   HD12  ILE  20          1HD1      ILE  20  -3.530  -6.849  -3.470
  156   HD13  ILE  20          2HD1      ILE  20  -4.274  -5.365  -4.067
  157    H    ALA  21           H        ALA  21  -5.233  -1.860  -1.993
  158    HA   ALA  21           HA       ALA  21  -5.465   0.751  -2.737
  159    HB1  ALA  21           1HB      ALA  21  -6.143   1.258  -0.463
  160    HB2  ALA  21           2HB      ALA  21  -5.403  -0.236   0.112
  161    HB3  ALA  21           3HB      ALA  21  -6.797  -0.301  -0.966
  162    H    TYR  22           H        TYR  22  -4.156   2.435  -2.882
  163    HA   TYR  22           HA       TYR  22  -1.513   2.286  -1.640
  164    HB2  TYR  22           2HB      TYR  22  -0.868   4.045  -3.194
  165    HB3  TYR  22           1HB      TYR  22  -1.647   2.730  -4.068
  166    HD1  TYR  22           1HD      TYR  22  -4.058   3.015  -4.781
  167    HD2  TYR  22           2HD      TYR  22  -1.712   6.241  -3.299
  168    HE1  TYR  22           1HE      TYR  22  -5.635   4.614  -5.782
  169    HE2  TYR  22           2HE      TYR  22  -3.285   7.849  -4.292
  170    HH   TYR  22           HH       TYR  22  -6.337   6.950  -5.467
  171    H    GLY  23           H        GLY  23  -0.585   4.337  -0.785
  172    HA2  GLY  23           2HA      GLY  23  -1.048   6.566   0.106
  173    HA3  GLY  23           1HA      GLY  23  -2.655   5.991   0.524
  174    H    GLY  24           H        GLY  24  -2.620   4.022   2.051
  175    HA2  GLY  24           2HA      GLY  24  -0.381   4.153   3.939
  176    HA3  GLY  24           1HA      GLY  24  -1.987   4.538   4.538
  177    H    GLY  25           H        GLY  25  -3.519   2.656   3.202
  178    HA2  GLY  25           2HA      GLY  25  -4.187   0.460   3.300
  179    HA3  GLY  25           1HA      GLY  25  -2.483   0.029   3.322
  Start of MODEL   19
    1    H1   GLY   1           1HT      GLY   1 -13.412  -6.869  -4.701
    2    H2   GLY   1           2HT      GLY   1 -12.707  -5.601  -5.571
    3    H3   GLY   1           3HT      GLY   1 -14.319  -5.487  -5.068
    4    HA2  GLY   1           1HA      GLY   1 -12.910  -4.133  -3.661
    5    HA3  GLY   1           2HA      GLY   1 -13.642  -5.451  -2.757
    6    H    VAL   2           H        VAL   2 -11.141  -3.872  -2.343
    7    HA   VAL   2           HA       VAL   2  -9.126  -5.994  -2.544
    8    HB   VAL   2           HB       VAL   2  -8.462  -3.800  -3.408
    9   HG11  VAL   2          1HG1      VAL   2  -8.169  -1.894  -1.907
   10   HG12  VAL   2          2HG1      VAL   2  -8.871  -2.825  -0.584
   11   HG13  VAL   2          3HG1      VAL   2  -9.857  -2.397  -1.982
   12   HG21  VAL   2          3HG2      VAL   2  -7.007  -4.548  -0.873
   13   HG22  VAL   2          1HG2      VAL   2  -6.356  -3.570  -2.189
   14   HG23  VAL   2          2HG2      VAL   2  -6.755  -5.266  -2.464
   15    H    VAL   3           H        VAL   3  -8.473  -7.104  -0.816
   16    HA   VAL   3           HA       VAL   3  -8.655  -5.989   1.848
   17    HB   VAL   3           HB       VAL   3  -9.946  -7.878   2.767
   18   HG11  VAL   3          1HG1      VAL   3 -11.064  -5.767   2.218
   19   HG12  VAL   3          2HG1      VAL   3 -12.140  -7.149   2.014
   20   HG13  VAL   3          3HG1      VAL   3 -11.417  -6.380   0.602
   21   HG21  VAL   3          3HG2      VAL   3 -11.214  -9.339   1.259
   22   HG22  VAL   3          1HG2      VAL   3  -9.476  -9.533   1.043
   23   HG23  VAL   3          2HG2      VAL   3 -10.411  -8.600  -0.127
   24    H    ARG   4           H        ARG   4  -6.491  -6.778   0.207
   25    HA   ARG   4           HA       ARG   4  -5.312  -8.819   1.938
   26    HB2  ARG   4           2HB      ARG   4  -5.183  -8.916  -1.083
   27    HB3  ARG   4           1HB      ARG   4  -4.306  -9.978   0.009
   28    HG2  ARG   4           2HG      ARG   4  -6.417 -10.870   0.849
   29    HG3  ARG   4           1HG      ARG   4  -7.302  -9.797  -0.237
   30    HD2  ARG   4           2HD      ARG   4  -7.151 -12.038  -1.175
   31    HD3  ARG   4           1HD      ARG   4  -6.254 -10.885  -2.162
   32    HE   ARG   4           HE       ARG   4  -4.472 -12.011  -0.340
   33   HH11  ARG   4          1HH1      ARG   4  -6.417 -13.010  -3.059
   34   HH12  ARG   4          2HH1      ARG   4  -5.341 -14.286  -3.520
   35   HH21  ARG   4          1HH2      ARG   4  -3.054 -13.688  -0.944
   36   HH22  ARG   4          2HH2      ARG   4  -3.432 -14.671  -2.321
   37    H    GLN   5           H        GLN   5  -3.532  -7.977   2.775
   38    HA   GLN   5           HA       GLN   5  -2.112  -5.879   1.301
   39    HB2  GLN   5           2HB      GLN   5  -1.054  -5.343   3.447
   40    HB3  GLN   5           1HB      GLN   5  -2.808  -5.313   3.571
   41    HG2  GLN   5           2HG      GLN   5  -2.779  -7.527   4.596
   42    HG3  GLN   5           1HG      GLN   5  -1.020  -7.562   4.471
   43   HE21  GLN   5          1HE2      GLN   5  -2.736  -7.717   6.827
   44   HE22  GLN   5          2HE2      GLN   5  -2.253  -6.418   7.858
   45    H    TRP   6           H        TRP   6   0.352  -5.878   1.864
   46    HA   TRP   6           HA       TRP   6   1.654  -8.366   2.238
   47    HB2  TRP   6           2HB      TRP   6   2.442  -8.831   0.017
   48    HB3  TRP   6           1HB      TRP   6   0.692  -8.679  -0.065
   49    HD1  TRP   6           HD       TRP   6   0.301  -5.618  -0.383
   50    HE1  TRP   6           1HE      TRP   6   1.105  -4.393  -2.499
   51    HE3  TRP   6           3HE      TRP   6   3.794  -8.986  -1.990
   52    HZ2  TRP   6           2HZ      TRP   6   2.975  -4.801  -4.575
   53    HZ3  TRP   6           3HZ      TRP   6   5.047  -8.493  -4.050
   54    HH2  TRP   6           HH       TRP   6   4.645  -6.445  -5.315
   55    H    SER   7           H        SER   7   4.008  -7.890   0.792
   56    HA   SER   7           HA       SER   7   5.064  -5.642   2.305
   57    HB2  SER   7           2HB      SER   7   7.274  -6.529   1.641
   58    HB3  SER   7           1HB      SER   7   6.274  -7.765   2.403
   59    HG   SER   7           HG       SER   7   6.667  -7.410  -0.386
   60    H    GLY   8           H        GLY   8   3.409  -4.763   0.286
   61    HA2  GLY   8           2HA      GLY   8   5.269  -3.820  -1.801
   62    HA3  GLY   8           1HA      GLY   8   3.525  -3.923  -1.986
   63    H    TYR   9           H        TYR   9   4.992  -2.682   0.920
   64    HA   TYR   9           HA       TYR   9   3.783  -0.078   0.363
   65    HB2  TYR   9           2HB      TYR   9   3.172  -1.082   2.484
   66    HB3  TYR   9           1HB      TYR   9   4.865  -1.279   2.919
   67    HD1  TYR   9           1HD      TYR   9   2.192   1.216   2.363
   68    HD2  TYR   9           2HD      TYR   9   6.094   0.499   3.900
   69    HE1  TYR   9           1HE      TYR   9   2.167   3.425   3.444
   70    HE2  TYR   9           2HE      TYR   9   6.079   2.704   4.987
   71    HH   TYR   9           HH       TYR   9   4.950   4.872   4.736
   72    H    ASP  10           H        ASP  10   4.942   1.699  -0.048
   73    HA   ASP  10           HA       ASP  10   7.869   1.483   0.106
   74    HB2  ASP  10           2HB      ASP  10   6.929   1.893  -2.142
   75    HB3  ASP  10           1HB      ASP  10   6.184   3.374  -1.548
   76    HA   PRO  11           HA       PRO  11   6.981   4.378   3.561
   77    HB2  PRO  11           2HB      PRO  11   9.456   3.979   4.711
   78    HB3  PRO  11           1HB      PRO  11   8.024   2.996   5.064
   79    HG2  PRO  11           2HG      PRO  11  10.317   2.409   3.272
   80    HG3  PRO  11           1HG      PRO  11   9.406   1.327   4.343
   81    HD2  PRO  11           2HD      PRO  11   9.013   1.375   1.676
   82    HD3  PRO  11           1HD      PRO  11   7.705   1.030   2.826
   83    H    ARG  12           H        ARG  12   9.569   4.157   1.245
   84    HA   ARG  12           HA       ARG  12  10.960   6.516   1.862
   85    HB2  ARG  12           2HB      ARG  12  10.587   5.158  -0.815
   86    HB3  ARG  12           1HB      ARG  12  11.782   6.399  -0.469
   87    HG2  ARG  12           2HG      ARG  12  12.860   4.939   1.148
   88    HG3  ARG  12           1HG      ARG  12  11.642   3.698   0.853
   89    HD2  ARG  12           2HD      ARG  12  13.572   4.799  -1.188
   90    HD3  ARG  12           1HD      ARG  12  13.718   3.245  -0.368
   91    HE   ARG  12           HE       ARG  12  11.219   3.475  -1.701
   92   HH11  ARG  12          2HH1      ARG  12  14.612   2.876  -2.261
   93   HH12  ARG  12          1HH1      ARG  12  14.339   1.949  -3.696
   94   HH21  ARG  12          1HH2      ARG  12  10.860   2.255  -3.590
   95   HH22  ARG  12          2HH2      ARG  12  12.210   1.596  -4.453
   96    H    THR  13           H        THR  13   8.068   5.925  -0.046
   97    HA   THR  13           HA       THR  13   7.764   8.837  -0.354
   98    HB   THR  13           HB       THR  13   6.478   8.433  -2.410
   99    HG1  THR  13           1HG      THR  13   5.855   6.240  -1.842
  100   HG21  THR  13          3HG2      THR  13   8.874   8.877  -2.591
  101   HG22  THR  13          1HG2      THR  13   8.347   7.759  -3.849
  102   HG23  THR  13          2HG2      THR  13   9.213   7.153  -2.437
  103    H    GLY  14           H        GLY  14   6.785   6.701   1.634
  104    HA2  GLY  14           2HA      GLY  14   4.861   6.191   2.793
  105    HA3  GLY  14           1HA      GLY  14   4.475   7.878   2.496
  106    H    THR  15           H        THR  15   4.673   5.122   0.256
  107    HA   THR  15           HA       THR  15   1.797   5.101  -0.080
  108    HB   THR  15           HB       THR  15   1.924   5.430  -2.546
  109    HG1  THR  15           1HG      THR  15   3.981   5.208  -3.166
  110   HG21  THR  15          3HG2      THR  15   1.216   7.261  -1.081
  111   HG22  THR  15          1HG2      THR  15   2.110   7.871  -2.474
  112   HG23  THR  15          2HG2      THR  15   2.894   7.769  -0.898
  113    H    TRP  16           H        TRP  16   1.102   3.400  -1.626
  114    HA   TRP  16           HA       TRP  16   2.768   1.050  -1.275
  115    HB2  TRP  16           2HB      TRP  16  -0.047   1.437  -2.296
  116    HB3  TRP  16           1HB      TRP  16   0.756  -0.129  -2.260
  117    HD1  TRP  16           HD       TRP  16  -0.539   2.603   0.133
  118    HE1  TRP  16           1HE      TRP  16  -0.981   1.521   2.426
  119    HE3  TRP  16           3HE      TRP  16   1.309  -2.071  -0.804
  120    HZ2  TRP  16           2HZ      TRP  16  -0.597  -0.983   3.673
  121    HZ3  TRP  16           3HZ      TRP  16   1.236  -3.751   0.992
  122    HH2  TRP  16           HH       TRP  16   0.301  -3.216   3.184
  123    H    ARG  17           H        ARG  17   2.425  -0.562  -3.301
  124    HA   ARG  17           HA       ARG  17   3.905   0.704  -5.431
  125    HB2  ARG  17           2HB      ARG  17   3.114  -2.140  -4.858
  126    HB3  ARG  17           1HB      ARG  17   3.876  -1.680  -6.374
  127    HG2  ARG  17           2HG      ARG  17   5.074  -1.163  -3.662
  128    HG3  ARG  17           1HG      ARG  17   5.431  -2.580  -4.653
  129    HD2  ARG  17           2HD      ARG  17   7.163  -1.137  -5.189
  130    HD3  ARG  17           1HD      ARG  17   6.006  -0.856  -6.488
  131    HE   ARG  17           HE       ARG  17   5.566   0.952  -4.355
  132   HH11  ARG  17          2HH1      ARG  17   7.737   0.316  -7.013
  133   HH12  ARG  17          1HH1      ARG  17   8.194   1.976  -7.201
  134   HH21  ARG  17          2HH2      ARG  17   6.167   3.136  -4.599
  135   HH22  ARG  17          1HH2      ARG  17   7.304   3.578  -5.830
  136    H    SER  18           H        SER  18   1.408  -1.744  -5.928
  137    HA   SER  18           HA       SER  18  -0.460  -0.011  -7.167
  138    HB2  SER  18           2HB      SER  18   1.251   0.117  -8.914
  139    HB3  SER  18           1HB      SER  18   1.286  -1.643  -9.026
  140    HG   SER  18           HG       SER  18  -0.918  -1.546  -9.681
  141    H    SER  19           H        SER  19   0.852  -3.292  -7.007
  142    HA   SER  19           HA       SER  19  -1.301  -4.773  -7.865
  143    HB2  SER  19           2HB      SER  19  -0.459  -6.585  -6.414
  144    HB3  SER  19           1HB      SER  19   0.853  -5.777  -7.274
  145    HG   SER  19           HG       SER  19   1.064  -4.482  -5.285
  146    H    ILE  20           H        ILE  20  -0.885  -3.093  -4.828
  147    HA   ILE  20           HA       ILE  20  -3.608  -3.920  -4.055
  148    HB   ILE  20           HB       ILE  20  -1.355  -3.246  -2.160
  149   HG12  ILE  20          2HG1      ILE  20  -0.943  -5.384  -3.277
  150   HG13  ILE  20          1HG1      ILE  20  -1.372  -5.643  -1.589
  151   HG21  ILE  20          1HG2      ILE  20  -2.907  -4.125  -0.443
  152   HG22  ILE  20          2HG2      ILE  20  -4.157  -4.249  -1.680
  153   HG23  ILE  20          3HG2      ILE  20  -3.505  -2.670  -1.238
  154   HD11  ILE  20          3HD1      ILE  20  -2.448  -7.270  -3.026
  155   HD12  ILE  20          1HD1      ILE  20  -3.206  -5.974  -3.952
  156   HD13  ILE  20          2HD1      ILE  20  -3.646  -6.225  -2.262
  157    H    ALA  21           H        ALA  21  -4.847  -2.337  -2.880
  158    HA   ALA  21           HA       ALA  21  -4.864   0.196  -3.991
  159    HB1  ALA  21           1HB      ALA  21  -6.419   0.821  -2.224
  160    HB2  ALA  21           2HB      ALA  21  -5.954  -0.605  -1.295
  161    HB3  ALA  21           3HB      ALA  21  -6.782  -0.791  -2.840
  162    H    TYR  22           H        TYR  22  -3.762   2.018  -3.666
  163    HA   TYR  22           HA       TYR  22  -1.761   2.064  -1.537
  164    HB2  TYR  22           2HB      TYR  22  -0.744   3.904  -2.778
  165    HB3  TYR  22           1HB      TYR  22  -1.020   2.528  -3.841
  166    HD1  TYR  22           2HD      TYR  22  -2.914   2.595  -5.468
  167    HD2  TYR  22           1HD      TYR  22  -1.781   6.002  -3.186
  168    HE1  TYR  22           2HE      TYR  22  -4.150   4.042  -7.025
  169    HE2  TYR  22           1HE      TYR  22  -3.015   7.458  -4.734
  170    HH   TYR  22           HH       TYR  22  -3.816   7.419  -7.056
  171    H    GLY  23           H        GLY  23  -1.327   4.297  -0.579
  172    HA2  GLY  23           2HA      GLY  23  -2.071   6.243   0.455
  173    HA3  GLY  23           1HA      GLY  23  -3.634   6.024  -0.316
  174    H    GLY  24           H        GLY  24  -1.584   4.559   2.204
  175    HA2  GLY  24           2HA      GLY  24  -2.408   4.487   4.487
  176    HA3  GLY  24           1HA      GLY  24  -4.025   4.261   3.838
  177    H    GLY  25           H        GLY  25  -4.158   2.227   2.351
  178    HA2  GLY  25           2HA      GLY  25  -2.681   0.025   2.309
  179    HA3  GLY  25           1HA      GLY  25  -3.204   0.009   3.987
  Start of MODEL   20
    1    H1   GLY   1           1HT      GLY   1 -13.811  -2.437  -2.800
    2    H2   GLY   1           2HT      GLY   1 -13.773  -4.012  -3.416
    3    H3   GLY   1           3HT      GLY   1 -14.127  -2.713  -4.441
    4    HA2  GLY   1           1HA      GLY   1 -11.866  -3.463  -4.796
    5    HA3  GLY   1           2HA      GLY   1 -11.906  -1.826  -4.157
    6    H    VAL   2           H        VAL   2 -12.262  -4.984  -2.560
    7    HA   VAL   2           HA       VAL   2 -10.131  -4.177  -0.704
    8    HB   VAL   2           HB       VAL   2 -12.186  -6.360  -0.336
    9   HG11  VAL   2          1HG1      VAL   2 -10.259  -5.086   1.604
   10   HG12  VAL   2          2HG1      VAL   2 -10.152  -6.720   0.948
   11   HG13  VAL   2          3HG1      VAL   2 -11.487  -6.283   2.013
   12   HG21  VAL   2          3HG2      VAL   2 -13.297  -4.813   1.211
   13   HG22  VAL   2          1HG2      VAL   2 -13.272  -4.185  -0.436
   14   HG23  VAL   2          2HG2      VAL   2 -12.147  -3.552   0.765
   15    H    VAL   3           H        VAL   3  -8.345  -5.424  -0.380
   16    HA   VAL   3           HA       VAL   3  -8.161  -8.042  -1.644
   17    HB   VAL   3           HB       VAL   3  -6.082  -7.522  -2.814
   18   HG11  VAL   3          1HG1      VAL   3  -7.010  -6.149  -4.616
   19   HG12  VAL   3          2HG1      VAL   3  -8.330  -5.657  -3.557
   20   HG13  VAL   3          3HG1      VAL   3  -8.173  -7.343  -4.042
   21   HG21  VAL   3          3HG2      VAL   3  -5.277  -5.719  -1.390
   22   HG22  VAL   3          1HG2      VAL   3  -6.584  -4.676  -1.949
   23   HG23  VAL   3          2HG2      VAL   3  -5.333  -5.202  -3.076
   24    H    ARG   4           H        ARG   4  -5.611  -8.704  -1.297
   25    HA   ARG   4           HA       ARG   4  -5.318  -8.638   1.597
   26    HB2  ARG   4           2HB      ARG   4  -3.809 -10.230  -0.483
   27    HB3  ARG   4           1HB      ARG   4  -3.669 -10.427   1.258
   28    HG2  ARG   4           2HG      ARG   4  -6.116 -10.950  -0.415
   29    HG3  ARG   4           1HG      ARG   4  -5.076 -12.154   0.347
   30    HD2  ARG   4           2HD      ARG   4  -6.695 -10.066   1.801
   31    HD3  ARG   4           1HD      ARG   4  -7.142 -11.761   1.621
   32    HE   ARG   4           HE       ARG   4  -4.572 -11.546   2.777
   33   HH11  ARG   4          1HH1      ARG   4  -7.950 -11.101   3.538
   34   HH12  ARG   4          2HH1      ARG   4  -7.739 -11.416   5.228
   35   HH21  ARG   4          1HH2      ARG   4  -4.293 -11.963   4.998
   36   HH22  ARG   4          2HH2      ARG   4  -5.663 -11.906   6.056
   37    H    GLN   5           H        GLN   5  -3.455  -7.997   2.676
   38    HA   GLN   5           HA       GLN   5  -1.812  -6.072   1.196
   39    HB2  GLN   5           2HB      GLN   5  -2.963  -5.203   3.162
   40    HB3  GLN   5           1HB      GLN   5  -2.233  -6.447   4.166
   41    HG2  GLN   5           2HG      GLN   5  -0.018  -5.496   3.704
   42    HG3  GLN   5           1HG      GLN   5  -0.779  -4.228   2.744
   43   HE21  GLN   5          1HE2      GLN   5  -0.248  -5.482   5.939
   44   HE22  GLN   5          2HE2      GLN   5  -0.779  -4.084   6.800
   45    H    TRP   6           H        TRP   6   0.469  -6.012   1.478
   46    HA   TRP   6           HA       TRP   6   1.763  -8.271   2.758
   47    HB2  TRP   6           2HB      TRP   6   2.864  -9.104   0.805
   48    HB3  TRP   6           1HB      TRP   6   1.151  -9.003   0.420
   49    HD1  TRP   6           HD       TRP   6   0.533  -6.474  -0.856
   50    HE1  TRP   6           1HE      TRP   6   1.791  -5.464  -2.863
   51    HE3  TRP   6           3HE      TRP   6   4.949  -9.003  -0.396
   52    HZ2  TRP   6           2HZ      TRP   6   4.325  -5.705  -4.084
   53    HZ3  TRP   6           3HZ      TRP   6   6.740  -8.555  -2.023
   54    HH2  TRP   6           HH       TRP   6   6.432  -6.941  -3.829
   55    H    SER   7           H        SER   7   4.271  -7.799   1.288
   56    HA   SER   7           HA       SER   7   5.087  -5.410   2.739
   57    HB2  SER   7           2HB      SER   7   6.731  -7.507   1.303
   58    HB3  SER   7           1HB      SER   7   7.386  -6.181   2.264
   59    HG   SER   7           HG       SER   7   7.220  -8.151   3.445
   60    H    GLY   8           H        GLY   8   3.499  -5.021   0.372
   61    HA2  GLY   8           2HA      GLY   8   5.423  -4.032  -1.604
   62    HA3  GLY   8           1HA      GLY   8   3.689  -4.181  -1.837
   63    H    TYR   9           H        TYR   9   5.045  -2.723   1.024
   64    HA   TYR   9           HA       TYR   9   3.857  -0.166   0.224
   65    HB2  TYR   9           2HB      TYR   9   3.052  -1.017   2.337
   66    HB3  TYR   9           1HB      TYR   9   4.696  -1.235   2.925
   67    HD1  TYR   9           1HD      TYR   9   2.205   1.330   1.936
   68    HD2  TYR   9           2HD      TYR   9   5.838   0.523   3.999
   69    HE1  TYR   9           1HE      TYR   9   2.154   3.592   2.902
   70    HE2  TYR   9           2HE      TYR   9   5.796   2.781   4.970
   71    HH   TYR   9           HH       TYR   9   3.059   4.784   4.850
   72    H    ASP  10           H        ASP  10   5.079   1.528  -0.290
   73    HA   ASP  10           HA       ASP  10   7.975   1.331   0.144
   74    HB2  ASP  10           2HB      ASP  10   7.072   1.651  -2.187
   75    HB3  ASP  10           1HB      ASP  10   6.507   3.241  -1.680
   76    HA   PRO  11           HA       PRO  11   6.869   4.419   3.358
   77    HB2  PRO  11           2HB      PRO  11   9.189   4.013   4.777
   78    HB3  PRO  11           1HB      PRO  11   7.710   3.065   5.008
   79    HG2  PRO  11           2HG      PRO  11  10.170   2.379   3.496
   80    HG3  PRO  11           1HG      PRO  11   9.131   1.352   4.504
   81    HD2  PRO  11           2HD      PRO  11   9.028   1.313   1.804
   82    HD3  PRO  11           1HD      PRO  11   7.611   1.000   2.824
   83    H    ARG  12           H        ARG  12   9.598   4.056   1.250
   84    HA   ARG  12           HA       ARG  12  11.140   6.267   1.908
   85    HB2  ARG  12           2HB      ARG  12  10.594   5.117  -0.833
   86    HB3  ARG  12           1HB      ARG  12  11.896   6.234  -0.450
   87    HG2  ARG  12           2HG      ARG  12  12.874   4.592   1.064
   88    HG3  ARG  12           1HG      ARG  12  11.558   3.473   0.703
   89    HD2  ARG  12           2HD      ARG  12  13.530   4.565  -1.302
   90    HD3  ARG  12           1HD      ARG  12  13.597   2.961  -0.573
   91    HE   ARG  12           HE       ARG  12  11.087   3.346  -1.797
   92   HH11  ARG  12          2HH1      ARG  12  14.443   2.831  -2.604
   93   HH12  ARG  12          1HH1      ARG  12  14.092   2.062  -4.115
   94   HH21  ARG  12          1HH2      ARG  12  10.623   2.339  -3.784
   95   HH22  ARG  12          2HH2      ARG  12  11.922   1.783  -4.786
   96    H    THR  13           H        THR  13   8.129   6.084   0.118
   97    HA   THR  13           HA       THR  13   8.014   9.014   0.169
   98    HB   THR  13           HB       THR  13   8.608   8.375  -2.124
   99    HG1  THR  13           1HG      THR  13   6.971   9.574  -3.092
  100   HG21  THR  13          3HG2      THR  13   7.039   7.098  -3.504
  101   HG22  THR  13          1HG2      THR  13   6.011   6.834  -2.095
  102   HG23  THR  13          2HG2      THR  13   7.626   6.132  -2.151
  103    H    GLY  14           H        GLY  14   6.774   6.551   1.563
  104    HA2  GLY  14           2HA      GLY  14   4.749   5.977   2.477
  105    HA3  GLY  14           1HA      GLY  14   4.379   7.688   2.343
  106    H    THR  15           H        THR  15   4.577   4.807   0.248
  107    HA   THR  15           HA       THR  15   1.867   5.232  -0.648
  108    HB   THR  15           HB       THR  15   2.422   5.327  -3.045
  109    HG1  THR  15           1HG      THR  15   4.454   4.541  -3.237
  110   HG21  THR  15          3HG2      THR  15   3.730   7.566  -1.497
  111   HG22  THR  15          1HG2      THR  15   1.995   7.408  -1.768
  112   HG23  THR  15          2HG2      THR  15   3.083   7.655  -3.135
  113    H    TRP  16           H        TRP  16   1.159   3.516  -2.155
  114    HA   TRP  16           HA       TRP  16   2.554   1.007  -1.534
  115    HB2  TRP  16           2HB      TRP  16  -0.316   1.586  -2.270
  116    HB3  TRP  16           1HB      TRP  16   0.342  -0.046  -2.165
  117    HD1  TRP  16           HD       TRP  16  -0.479   2.988   0.053
  118    HE1  TRP  16           1HE      TRP  16  -0.708   2.177   2.485
  119    HE3  TRP  16           3HE      TRP  16   0.992  -1.869  -0.568
  120    HZ2  TRP  16           2HZ      TRP  16  -0.315  -0.205   3.945
  121    HZ3  TRP  16           3HZ      TRP  16   1.039  -3.347   1.398
  122    HH2  TRP  16           HH       TRP  16   0.400  -2.530   3.608
  123    H    ARG  17           H        ARG  17   2.634  -0.653  -3.194
  124    HA   ARG  17           HA       ARG  17   3.697   0.281  -5.599
  125    HB2  ARG  17           2HB      ARG  17   2.699  -2.444  -4.789
  126    HB3  ARG  17           1HB      ARG  17   3.466  -2.138  -6.342
  127    HG2  ARG  17           2HG      ARG  17   4.734  -1.615  -3.661
  128    HG3  ARG  17           1HG      ARG  17   5.010  -3.049  -4.652
  129    HD2  ARG  17           2HD      ARG  17   5.867  -1.620  -6.455
  130    HD3  ARG  17           1HD      ARG  17   5.613  -0.200  -5.440
  131    HE   ARG  17           HE       ARG  17   7.229  -1.997  -4.039
  132   HH11  ARG  17          2HH1      ARG  17   7.376   0.016  -6.886
  133   HH12  ARG  17          1HH1      ARG  17   9.090   0.243  -6.791
  134   HH21  ARG  17          2HH2      ARG  17   9.484  -1.699  -3.911
  135   HH22  ARG  17          1HH2      ARG  17  10.287  -0.732  -5.101
  136    H    SER  18           H        SER  18   0.991  -1.992  -5.783
  137    HA   SER  18           HA       SER  18  -0.831  -0.183  -6.974
  138    HB2  SER  18           2HB      SER  18   0.759  -0.235  -8.831
  139    HB3  SER  18           1HB      SER  18   0.672  -1.997  -8.876
  140    HG   SER  18           HG       SER  18  -0.697  -1.073 -10.436
  141    H    SER  19           H        SER  19   0.268  -3.542  -6.812
  142    HA   SER  19           HA       SER  19  -2.053  -4.876  -7.454
  143    HB2  SER  19           2HB      SER  19  -0.031  -6.115  -7.110
  144    HB3  SER  19           1HB      SER  19   0.078  -5.585  -5.433
  145    HG   SER  19           HG       SER  19  -1.292  -7.089  -4.875
  146    H    ILE  20           H        ILE  20  -1.308  -3.117  -4.542
  147    HA   ILE  20           HA       ILE  20  -3.965  -3.841  -3.490
  148    HB   ILE  20           HB       ILE  20  -1.542  -3.122  -1.831
  149   HG12  ILE  20          2HG1      ILE  20  -1.933  -5.575  -1.044
  150   HG13  ILE  20          1HG1      ILE  20  -2.778  -5.756  -2.580
  151   HG21  ILE  20          1HG2      ILE  20  -3.639  -2.433  -0.807
  152   HG22  ILE  20          2HG2      ILE  20  -2.935  -3.791   0.071
  153   HG23  ILE  20          3HG2      ILE  20  -4.292  -4.058  -1.021
  154   HD11  ILE  20          3HD1      ILE  20  -0.436  -6.489  -2.665
  155   HD12  ILE  20          1HD1      ILE  20   0.071  -4.844  -2.279
  156   HD13  ILE  20          2HD1      ILE  20  -0.778  -5.174  -3.787
  157    H    ALA  21           H        ALA  21  -5.126  -2.183  -2.400
  158    HA   ALA  21           HA       ALA  21  -5.149   0.294  -3.616
  159    HB1  ALA  21           1HB      ALA  21  -6.606   1.031  -1.811
  160    HB2  ALA  21           2HB      ALA  21  -6.111  -0.347  -0.829
  161    HB3  ALA  21           3HB      ALA  21  -7.021  -0.606  -2.318
  162    H    TYR  22           H        TYR  22  -4.061   2.153  -3.392
  163    HA   TYR  22           HA       TYR  22  -1.929   2.239  -1.392
  164    HB2  TYR  22           2HB      TYR  22  -0.965   4.029  -2.754
  165    HB3  TYR  22           1HB      TYR  22  -1.293   2.606  -3.738
  166    HD1  TYR  22           2HD      TYR  22  -3.237   2.607  -5.294
  167    HD2  TYR  22           1HD      TYR  22  -2.042   6.106  -3.189
  168    HE1  TYR  22           2HE      TYR  22  -4.543   3.985  -6.857
  169    HE2  TYR  22           1HE      TYR  22  -3.345   7.494  -4.747
  170    HH   TYR  22           HH       TYR  22  -5.612   6.195  -6.914
  171    H    GLY  23           H        GLY  23  -1.403   4.601  -0.681
  172    HA2  GLY  23           2HA      GLY  23  -2.070   6.572   0.339
  173    HA3  GLY  23           1HA      GLY  23  -3.687   6.318  -0.302
  174    H    GLY  24           H        GLY  24  -1.513   4.684   2.016
  175    HA2  GLY  24           2HA      GLY  24  -2.047   4.711   4.385
  176    HA3  GLY  24           1HA      GLY  24  -3.748   4.714   3.942
  177    H    GLY  25           H        GLY  25  -4.368   2.735   2.530
  178    HA2  GLY  25           2HA      GLY  25  -4.077   0.413   2.083
  179    HA3  GLY  25           1HA      GLY  25  -2.911   0.337   3.395