*HEADER    DE NOVO PROTEIN                         22-OCT-18   6IMH              
*TITLE     SOLUTION STRUCTURE OF BICYCLIC PEPTIDE PB-18                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: (ACE)-GLY-CYS-PRO-CYS-GLU-PRO-SER-TYR-LEU-CYS-PRO-TRP-LEU- 
*COMPND   3 PRO-GLY-CYS-(NH2);                                                   
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE M13;                       
*SOURCE   4 ORGANISM_TAXID: 10870                                                
*KEYWDS    BICYCLIC PEPTIDE, CYSTINE BRIDGE, PROLINE RICH, DE NOVO PROTEIN       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    H.YAO,P.LIN,J.ZHA,M.ZHA,Y.ZHAO,C.WU                                   
*REVDAT   1   28-AUG-19 6IMH    0                                                
# Restraints file 1: pb18_noe_final.tbl
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assign (resid    2 and name  HB1) (resid    2 and name  HB2) 2.50 0.70 0.30
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assign (resid   15 and name  HA1) (resid   15 and name  HA2) 2.50 0.70 0.30
assign (resid    7 and name  HB1) (resid    7 and name  HB2) 2.50 0.70 0.30
assign (resid    7 and name   HA) (resid    7 and name  HB1) 2.50 0.70 0.30
assign (resid    8 and name  HB1) (resid    8 and name  HB2) 2.50 0.70 0.30
assign (resid   13 and name  HB1) (resid   13 and name  HB2) 2.50 0.70 0.30
assign (resid    3 and name  HD1) (resid    3 and name  HD2) 2.50 0.70 0.30
assign (resid    4 and name  HB1) (resid    4 and name  HB2) 2.50 0.70 0.30
assign (resid   11 and name  HG1) (resid   11 and name  HG2) 2.50 0.70 0.30
assign (resid   11 and name  HB1) (resid   11 and name  HB2) 2.50 0.70 0.30
assign (resid   16 and name   H1) (resid   16 and name   H2) 2.50 0.70 0.30
assign (resid   14 and name  HD1) (resid   14 and name  HD2) 2.50 0.70 0.30
assign (resid   12 and name  HB2) (resid   12 and name  HB1) 2.50 0.70 0.30
assign (resid   10 and name  HB1) (resid   10 and name  HB2) 2.50 0.70 0.30
assign (resid   14 and name  HB1) (resid   14 and name  HB2) 2.50 0.70 0.30
assign (resid   13 and name   HG) (resid   13 and name HD1#) 2.50 0.70 0.30
assign (resid   13 and name   HA) (resid   14 and name  HD1) 2.50 0.70 0.30
assign (resid    9 and name   HG) (resid    9 and name HD1#) 2.50 0.70 0.30
assign (resid    5 and name   HA) (resid    6 and name   HA) 2.50 0.70 0.30
assign (resid    3 and name   HA) (resid    3 and name  HB#) 2.50 0.70 0.30
assign (resid    6 and name  HB1) (resid    6 and name  HB2) 2.50 0.70 0.30
assign (resid    4 and name   HA) (resid    5 and name   HN) 2.50 0.70 0.30
assign (resid    8 and name  HD#) (resid    8 and name  HE#) 2.50 0.70 0.30
assign (resid   12 and name   HA) (resid   12 and name  HB1) 2.50 0.70 0.30
assign (resid    6 and name   HA) (resid    7 and name   HN) 2.50 0.70 0.30
assign (resid   13 and name  HB1) (resid   13 and name HD1#) 2.50 0.70 0.30
assign (resid    2 and name   HA) (resid    3 and name  HD1) 2.50 0.70 0.30
assign (resid   13 and name  HB2) (resid   13 and name   HG) 2.50 0.70 0.30
assign (resid    2 and name   HA) (resid    3 and name  HD2) 2.50 0.70 0.30
assign (resid   11 and name   HA) (resid   11 and name  HB1) 2.50 0.70 0.30
assign (resid    8 and name  HD#) (resid    8 and name  HB1) 2.50 0.70 0.30
assign (resid    6 and name   HA) (resid    6 and name  HB1) 2.50 0.70 0.30
assign (resid    2 and name  HB2) (resid   16 and name   HA) 2.50 0.70 0.30
assign (resid    4 and name   HA) (resid    4 and name  HB1) 2.50 0.70 0.30
assign (resid    5 and name  HB1) (resid    5 and name  HG#) 2.50 0.70 0.30
assign (resid   15 and name   HN) (resid   15 and name  HA1) 2.50 0.70 0.30
assign (resid    9 and name   HA) (resid    9 and name HD2#) 2.50 0.70 0.30
assign (resid    9 and name  HB1) (resid    9 and name HD1#) 2.50 0.70 0.30
assign (resid   14 and name   HA) (resid   14 and name  HB1) 2.50 0.70 0.30
assign (resid   12 and name   HN) (resid   13 and name   HN) 2.50 0.70 0.30
assign (resid   15 and name   HN) (resid   15 and name  HA2) 2.50 0.70 0.30
assign (resid   13 and name   HA) (resid   14 and name  HD2) 2.50 0.70 0.30
assign (resid    8 and name   HA) (resid    8 and name  HB1) 2.50 0.70 0.30
assign (resid   13 and name   HN) (resid   13 and name  HB2) 2.50 0.70 0.30
assign (resid   12 and name   HA) (resid   12 and name  HB2) 2.50 0.70 0.30
assign (resid   16 and name   HN) (resid   16 and name   HA) 2.50 0.70 0.30
assign (resid   11 and name  HG1) (resid   11 and name  HD1) 2.50 0.70 0.30
assign (resid   10 and name   HA) (resid   10 and name  HB1) 3.00 1.20 0.50
assign (resid    9 and name  HB2) (resid    9 and name HD1#) 3.00 1.20 0.50
assign (resid   13 and name   HA) (resid   13 and name HD2#) 3.00 1.20 0.50
assign (resid   12 and name  HE3) (resid   12 and name  HZ3) 3.00 1.20 0.50
assign (resid    2 and name   HA) (resid    2 and name  HB2) 3.00 1.20 0.50
assign (resid    3 and name  HD2) (resid    3 and name  HG2) 3.00 1.20 0.50
assign (resid    8 and name   HA) (resid    8 and name  HB2) 3.00 1.20 0.50
assign (resid    8 and name  HD#) (resid    8 and name  HB2) 3.00 1.20 0.50
assign (resid    9 and name   HN) (resid   10 and name   HN) 3.00 1.20 0.50
assign (resid   10 and name   HA) (resid   11 and name  HD2) 3.00 1.20 0.50
assign (resid    6 and name  HG2) (resid    6 and name  HD2) 3.00 1.20 0.50
assign (resid    2 and name   HN) (resid    2 and name  HB1) 3.00 1.20 0.50
assign (resid    4 and name   HN) (resid    4 and name  HB2) 3.00 1.20 0.50
assign (resid    9 and name   HA) (resid    9 and name  HB1) 3.00 1.20 0.50
assign (resid   11 and name  HG2) (resid   11 and name  HD2) 3.00 1.20 0.50
assign (resid    6 and name  HG1) (resid    6 and name  HD2) 3.00 1.20 0.50
assign (resid    6 and name  HD2) (resid    9 and name HD1#) 3.00 1.20 1.00
assign (resid    9 and name  HB2) (resid    9 and name   HG) 3.00 1.20 0.50
assign (resid    6 and name  HG2) (resid    6 and name  HD1) 3.00 1.20 0.50
assign (resid   15 and name   HN) (resid   16 and name   HN) 3.00 1.20 0.50
assign (resid    4 and name  HB2) (resid    7 and name   HA) 3.00 1.20 0.50
assign (resid   13 and name  HB2) (resid   13 and name HD1#) 3.00 1.20 0.50
assign (resid    1 and name  HA2) (resid    2 and name   HN) 3.00 1.20 0.50
assign (resid   12 and name  HE1) (resid   12 and name  HD1) 3.00 1.20 0.50
assign (resid    9 and name   HN) (resid    9 and name   HG) 3.00 1.20 0.50
assign (resid   11 and name   HA) (resid   11 and name  HB2) 3.00 1.20 0.50
assign (resid    5 and name  HB2) (resid    5 and name  HG#) 3.00 1.20 0.50
assign (resid    5 and name   HA) (resid    5 and name  HB2) 3.00 1.20 0.50
assign (resid   11 and name  HG1) (resid   11 and name  HD2) 3.00 1.20 0.50
assign (resid    2 and name   HN) (resid    2 and name  HB2) 3.00 1.20 0.50
assign (resid    7 and name   HN) (resid    7 and name   HA) 3.00 1.20 0.50
assign (resid   12 and name  HB2) (resid   12 and name  HD1) 3.00 1.20 0.50
assign (resid    3 and name  HD1) (resid    3 and name  HG1) 3.00 1.20 0.50
assign (resid   13 and name   HA) (resid   13 and name  HB1) 3.00 1.20 0.50
assign (resid   10 and name   HN) (resid   10 and name  HB2) 3.00 1.20 0.50
assign (resid   13 and name   HN) (resid   13 and name   HA) 3.00 1.20 0.50
assign (resid   10 and name  HB1) (resid   13 and name HD1#) 3.00 1.20 0.50
assign (resid   14 and name   HA) (resid   15 and name   HN) 3.00 1.20 0.50
assign (resid   16 and name   HN) (resid   16 and name  HB1) 3.00 1.20 0.50
assign (resid    5 and name   HA) (resid    5 and name  HB1) 3.00 1.20 0.50
assign (resid   12 and name  HB1) (resid   12 and name  HE3) 3.00 1.20 0.50
assign (resid    6 and name  HB1) (resid    6 and name  HG2) 3.00 1.20 0.50
assign (resid   12 and name  HZ2) (resid   12 and name  HH2) 3.00 1.20 0.50
assign (resid    9 and name   HA) (resid    9 and name  HB2) 3.00 1.20 0.50
assign (resid   12 and name   HN) (resid   12 and name  HB2) 3.00 1.20 0.50
assign (resid   13 and name   HN) (resid   13 and name  HB1) 3.00 1.20 0.50
assign (resid   14 and name  HD1) (resid   14 and name  HG1) 3.00 1.20 0.50
assign (resid   10 and name   HN) (resid   10 and name   HA) 3.00 1.20 0.50
assign (resid    5 and name   HA) (resid    5 and name  HG#) 3.00 1.20 0.50
assign (resid    4 and name   HA) (resid    4 and name  HB2) 3.00 1.20 0.50
assign (resid    8 and name   HN) (resid    8 and name  HD#) 3.00 1.20 0.50
assign (resid   16 and name   HA) (resid   16 and name  HB1) 3.00 1.20 0.50
assign (resid   12 and name  HD1) (resid   13 and name HD2#) 3.00 1.20 0.50
assign (resid   12 and name  HD1) (resid   13 and name   HG) 3.00 1.20 0.50
assign (resid    6 and name  HG2) (resid    9 and name   HN) 3.00 1.20 0.50
assign (resid    5 and name   HN) (resid    5 and name  HB1) 3.00 1.20 1.00
assign (resid    1 and name  HA1) (resid    2 and name   HN) 3.00 1.20 0.50
assign (resid   14 and name   HA) (resid   14 and name  HB2) 3.00 1.20 0.50
assign (resid    4 and name  HB1) (resid    9 and name  HB2) 3.00 1.20 0.50
assign (resid    2 and name   HA) (resid    2 and name  HB1) 3.00 1.20 0.50
assign (resid    3 and name  HD2) (resid    4 and name   HN) 3.00 1.20 0.50
assign (resid    4 and name  HB1) (resid    5 and name   HN) 3.00 1.20 0.50
assign (resid    5 and name   HN) (resid    5 and name   HA) 3.00 1.20 0.50
assign (resid    3 and name  HD1) (resid    3 and name  HB#) 3.00 1.20 0.50
assign (resid    9 and name   HN) (resid    9 and name  HB2) 3.00 1.20 0.50
assign (resid    7 and name  HB1) (resid   16 and name   HA) 3.00 1.20 0.50
assign (resid    6 and name   HA) (resid    6 and name  HB2) 3.00 1.20 0.50
assign (resid    6 and name  HG1) (resid    6 and name  HD1) 3.00 1.20 0.50
assign (resid   12 and name   HN) (resid   12 and name   HA) 3.00 1.20 0.50
assign (resid    2 and name   HN) (resid    2 and name   HA) 3.00 1.20 0.50
assign (resid   12 and name   HN) (resid   12 and name  HE3) 3.00 1.20 0.50
assign (resid   10 and name  HB1) (resid   13 and name   HG) 3.00 1.20 0.50
assign (resid   10 and name  HB2) (resid   13 and name HD1#) 3.00 1.20 0.50
assign (resid   11 and name  HG2) (resid   12 and name   HN) 3.00 1.20 0.50
assign (resid   15 and name  HA1) (resid   16 and name   HN) 3.00 1.20 0.50
assign (resid    2 and name  HB1) (resid   16 and name   HA) 3.00 1.20 1.00
assign (resid    3 and name  HG2) (resid   13 and name HD1#) 3.00 1.20 0.50
assign (resid   12 and name   HN) (resid   12 and name  HB1) 3.00 1.20 0.50
assign (resid   13 and name   HA) (resid   13 and name  HB2) 3.00 1.20 0.50
assign (resid    5 and name   HN) (resid    5 and name  HB2) 3.00 1.20 1.00
assign (resid   11 and name  HG2) (resid   11 and name  HD1) 3.00 1.20 0.50
assign (resid    8 and name  HE#) (resid    9 and name HD2#) 3.00 1.20 1.50
assign (resid   13 and name   HA) (resid   13 and name   HG) 3.00 1.20 0.50
assign (resid   14 and name  HD1) (resid   14 and name  HG2) 3.00 1.20 0.50
assign (resid    3 and name  HD1) (resid    3 and name  HG2) 3.00 1.20 0.50
assign (resid   10 and name   HN) (resid   11 and name  HD1) 3.00 1.20 0.50
assign (resid    6 and name  HD1) (resid    9 and name HD1#) 3.00 1.20 0.50
assign (resid   12 and name   HA) (resid   13 and name   HN) 3.00 1.20 0.50
assign (resid    8 and name   HN) (resid    8 and name  HB1) 3.00 1.20 0.50
assign (resid    4 and name   HN) (resid    4 and name   HA) 3.00 1.20 0.50
assign (resid   11 and name  HB1) (resid   11 and name  HD1) 3.00 1.20 0.50
assign (resid    7 and name   HN) (resid    7 and name  HB1) 3.00 1.20 0.50
assign (resid   10 and name   HA) (resid   10 and name  HB2) 3.00 1.20 0.50
assign (resid    9 and name   HN) (resid    9 and name   HA) 3.00 1.20 0.50
assign (resid   11 and name  HD2) (resid   12 and name  HZ3) 3.00 1.20 0.50
assign (resid    8 and name   HN) (resid    9 and name   HN) 3.00 1.20 0.50
assign (resid    5 and name   HA) (resid    7 and name   HN) 3.00 1.20 0.50
assign (resid    7 and name   HN) (resid    8 and name   HN) 3.00 1.20 0.50
assign (resid   10 and name  HB2) (resid   13 and name  HB2) 3.00 1.20 0.50
assign (resid   11 and name  HD2) (resid   12 and name   HN) 3.00 1.20 0.50
assign (resid    3 and name   HA) (resid    4 and name   HN) 3.00 1.20 0.50
assign (resid   11 and name  HD2) (resid   12 and name  HE3) 3.00 1.20 0.50
assign (resid    8 and name   HN) (resid    8 and name   HA) 3.00 1.20 0.50
assign (resid    9 and name   HA) (resid    9 and name   HG) 3.00 1.20 0.50
assign (resid   15 and name  HA2) (resid   16 and name   HN) 3.00 1.20 0.50
assign (resid   14 and name  HB2) (resid   15 and name   HN) 3.00 1.20 0.50
assign (resid   11 and name  HG2) (resid   12 and name  HE3) 3.00 1.20 0.50
assign (resid    9 and name   HN) (resid    9 and name  HB1) 3.00 1.20 0.50
assign (resid   14 and name  HD2) (resid   14 and name  HG2) 3.00 1.20 0.50
assign (resid    6 and name  HB1) (resid    7 and name   HN) 3.00 1.20 1.00
assign (resid    9 and name   HA) (resid   10 and name   HN) 3.00 1.20 0.50
assign (resid   12 and name  HE1) (resid   12 and name  HZ2) 3.00 1.20 0.50
assign (resid    3 and name  HD1) (resid   13 and name HD1#) 3.00 1.20 1.00
assign (resid   14 and name   HA) (resid   14 and name  HG1) 3.00 1.20 0.50
assign (resid   10 and name   HN) (resid   10 and name  HB1) 3.00 1.20 1.00
assign (resid   10 and name  HB1) (resid   13 and name  HB2) 3.00 1.20 0.50
assign (resid    7 and name  HB2) (resid   16 and name   HA) 3.00 1.20 0.50
assign (resid    2 and name  HB2) (resid    7 and name  HB2) 3.00 1.20 0.50
assign (resid    3 and name  HG2) (resid    4 and name   HN) 3.00 1.20 0.50
assign (resid    6 and name  HB2) (resid    7 and name   HN) 3.00 1.20 0.50
assign (resid    2 and name  HB1) (resid    7 and name   HA) 3.00 1.20 0.50
assign (resid    4 and name  HB1) (resid    7 and name   HA) 3.00 1.20 0.50
assign (resid   14 and name  HD2) (resid   14 and name  HG1) 3.00 1.20 0.50
assign (resid   16 and name   HN) (resid   16 and name   H1) 4.00 2.20 0.50
assign (resid    2 and name  HB2) (resid   16 and name  HB1) 4.00 2.20 0.50
assign (resid    4 and name  HB1) (resid   10 and name  HB2) 4.00 2.20 0.50
assign (resid    4 and name   HN) (resid    4 and name  HB1) 4.00 2.20 0.50
assign (resid    6 and name   HA) (resid    6 and name  HG2) 4.00 2.20 0.50
assign (resid   12 and name  HB1) (resid   12 and name  HD1) 4.00 2.20 0.50
assign (resid   14 and name   HA) (resid   16 and name   HN) 4.00 2.20 0.50
assign (resid   10 and name   HN) (resid   11 and name  HD2) 4.00 2.20 0.50
assign (resid    5 and name   HN) (resid    5 and name  HG#) 4.00 2.20 0.50
assign (resid   12 and name   HA) (resid   12 and name  HE3) 4.00 2.20 0.50
assign (resid    8 and name  HD#) (resid    9 and name   HA) 4.00 2.20 0.50
assign (resid    6 and name  HB2) (resid    8 and name  HE#) 4.00 2.20 0.50
assign (resid    6 and name  HB2) (resid    8 and name  HD#) 4.00 2.20 0.50
assign (resid    8 and name  HD#) (resid    9 and name HD2#) 4.00 2.20 1.50
assign (resid   11 and name   HA) (resid   11 and name  HD2) 4.00 2.20 0.50
assign (resid   10 and name  HB1) (resid   13 and name  HB1) 4.00 2.20 0.50
assign (resid    9 and name  HB2) (resid   10 and name   HN) 4.00 2.20 0.50
assign (resid   13 and name HD2#) (resid   14 and name  HD1) 4.00 2.20 0.50
assign (resid    6 and name  HG1) (resid    8 and name  HE#) 4.00 2.20 0.50
assign (resid    6 and name  HB1) (resid    8 and name  HE#) 4.00 2.20 0.50
assign (resid   12 and name  HE1) (resid   13 and name HD1#) 4.00 2.20 0.50
assign (resid    8 and name   HA) (resid    9 and name   HN) 4.00 2.20 0.50
assign (resid    4 and name  HB2) (resid    9 and name  HB2) 4.00 2.20 0.50
assign (resid   11 and name   HA) (resid   12 and name   HN) 4.00 2.20 0.50
assign (resid    1 and name   HN) (resid    1 and name  HA1) 4.00 2.20 0.50
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assign (resid   14 and name  HD1) (resid   14 and name  HB1) 4.00 2.20 0.50
assign (resid    7 and name  HB1) (resid   16 and name  HB1) 4.00 2.20 0.50
assign (resid   11 and name   HA) (resid   13 and name   HN) 4.00 2.20 0.50
assign (resid    4 and name  HB1) (resid    9 and name HD1#) 4.00 2.20 0.50
assign (resid    6 and name  HG2) (resid    8 and name  HE#) 4.00 2.20 0.50
assign (resid    4 and name  HB2) (resid    5 and name   HN) 4.00 2.20 0.50
assign (resid   14 and name  HD1) (resid   14 and name  HB2) 4.00 2.20 0.50
assign (resid    4 and name  HB1) (resid    9 and name  HB1) 4.00 2.20 0.50
assign (resid    8 and name  HE#) (resid    9 and name   HG) 4.00 2.20 0.50
assign (resid   13 and name  HB2) (resid   16 and name   HN) 4.00 2.20 0.50
assign (resid    3 and name   HA) (resid    3 and name  HD1) 4.00 2.20 0.50
assign (resid    3 and name  HD2) (resid    3 and name  HG1) 4.00 2.20 0.50
assign (resid    6 and name  HB2) (resid    8 and name   HN) 4.00 2.20 0.50
assign (resid   14 and name  HB1) (resid   15 and name   HN) 4.00 2.20 0.50
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assign (resid   12 and name  HB2) (resid   12 and name  HE3) 4.00 2.20 0.50
assign (resid   10 and name   HA) (resid   12 and name   HN) 4.00 2.20 0.50
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assign (resid    1 and name   HN) (resid    1 and name  HA2) 4.00 2.20 0.50
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assign (resid   11 and name  HB2) (resid   11 and name  HD2) 4.00 2.20 0.50
assign (resid   13 and name  HB1) (resid   15 and name   HN) 4.00 2.20 0.50
assign (resid   11 and name  HD2) (resid   12 and name  HH2) 4.00 2.20 0.50
assign (resid    3 and name  HD2) (resid    3 and name  HB#) 4.00 2.20 0.50
assign (resid   14 and name   HA) (resid   14 and name  HG2) 4.00 2.20 0.50
assign (resid    4 and name  HB1) (resid   10 and name   HN) 4.00 2.20 0.50
assign (resid   13 and name   HN) (resid   14 and name  HD1) 4.00 2.20 0.50
assign (resid   13 and name  HB1) (resid   14 and name  HD1) 4.00 2.20 0.50
assign (resid   11 and name  HG1) (resid   12 and name   HN) 4.00 2.20 0.50
assign (resid    4 and name  HB2) (resid    7 and name  HB1) 4.00 2.20 0.50
assign (resid    3 and name  HD1) (resid    4 and name   HN) 4.00 2.20 0.50
assign (resid    9 and name   HN) (resid    9 and name HD1#) 4.00 2.20 0.50
assign (resid    5 and name   HA) (resid    7 and name   HA) 4.00 2.20 0.50
assign (resid   11 and name  HB2) (resid   12 and name   HA) 4.00 2.20 0.50
assign (resid   10 and name   HA) (resid   13 and name   HN) 4.00 2.20 0.50
assign (resid    8 and name  HB2) (resid    9 and name   HN) 4.00 2.20 0.50
assign (resid   10 and name   HA) (resid   12 and name  HH2) 4.00 2.20 0.50
assign (resid    6 and name   HA) (resid    6 and name  HG1) 4.00 2.20 0.50
assign (resid    6 and name  HB2) (resid    9 and name   HN) 4.00 2.20 0.50
assign (resid    4 and name   HN) (resid   13 and name HD1#) 4.00 2.20 1.00
assign (resid   10 and name  HB2) (resid   13 and name   HG) 4.00 2.20 0.50
assign (resid    7 and name  HB1) (resid    8 and name   HN) 4.00 2.20 0.50
assign (resid    3 and name  HG1) (resid    4 and name   HN) 4.00 2.20 0.50
assign (resid    4 and name   HN) (resid    7 and name   HA) 4.00 2.20 0.50
assign (resid   12 and name  HE1) (resid   13 and name   HG) 4.00 2.20 0.50
assign (resid   11 and name  HB1) (resid   11 and name  HD2) 4.00 2.20 0.50
assign (resid    6 and name  HB1) (resid    6 and name  HD2) 4.00 2.20 0.50
assign (resid    6 and name  HB1) (resid    6 and name  HD1) 4.00 2.20 0.50
assign (resid   11 and name  HG2) (resid   12 and name  HZ3) 4.00 2.20 0.50
assign (resid   14 and name  HD1) (resid   15 and name   HN) 4.00 2.20 0.50
assign (resid   14 and name  HD1) (resid   15 and name   HN) 4.00 2.20 0.50
assign (resid    3 and name  HG1) (resid    3 and name   HA) 4.00 2.20 0.50
assign (resid    5 and name  HB1) (resid    6 and name   HA) 4.00 2.20 0.50
assign (resid    1 and name   HN) (resid    2 and name   HN) 5.00 2.00 0.50
assign (resid    5 and name  HB2) (resid    6 and name   HA) 5.00 2.00 0.50
assign (resid    2 and name   HA) (resid   16 and name   HA) 5.00 2.00 0.50
assign (resid    9 and name HD2#) (resid   10 and name   HN) 5.00 2.00 1.00
assign (resid    6 and name  HB1) (resid    8 and name   HN) 5.00 2.00 0.50
assign (resid    2 and name  HB1) (resid    7 and name  HB1) 5.00 2.00 0.50
assign (resid    2 and name   HN) (resid   15 and name  HA1) 5.00 2.00 0.50
assign (resid    4 and name  HB2) (resid    9 and name HD1#) 5.00 2.00 1.00
assign (resid    2 and name   HA) (resid    3 and name  HG2) 5.00 2.00 0.50
assign (resid    9 and name HD2#) (resid   10 and name   HA) 5.00 2.00 1.00
assign (resid   13 and name HD1#) (resid   16 and name  HB1) 5.00 2.00 1.00
assign (resid   12 and name   HN) (resid   13 and name   HG) 5.00 2.00 0.50
assign (resid    4 and name  HB2) (resid    5 and name   HA) 5.00 2.00 0.50
assign (resid    2 and name  HB2) (resid   16 and name   HN) 5.00 2.00 0.50
assign (resid   12 and name   HN) (resid   13 and name  HB2) 5.00 2.00 0.50
assign (resid    6 and name  HD2) (resid    9 and name  HB1) 5.00 2.00 0.50
assign (resid    2 and name  HB2) (resid    7 and name  HB1) 5.00 2.00 0.50
assign (resid    2 and name   HA) (resid    3 and name  HB#) 5.00 2.00 1.00
assign (resid   12 and name  HE3) (resid   12 and name  HD1) 5.00 2.00 0.50
assign (resid    2 and name   HA) (resid   13 and name HD1#) 5.00 2.00 1.00
assign (resid   13 and name  HB2) (resid   14 and name  HD2) 5.00 2.00 0.50
assign (resid    8 and name  HE#) (resid    8 and name  HB2) 5.00 2.00 0.50
assign (resid   16 and name   HN) (resid    2 and name   HA) 5.00 2.00 0.50
assign (resid    8 and name   HA) (resid   11 and name  HB1) 5.00 2.00 0.50
assign (resid   13 and name  HB2) (resid   15 and name   HN) 5.00 2.00 0.50
assign (resid   11 and name  HG2) (resid   12 and name   HA) 5.00 2.00 0.50
assign (resid   12 and name  HZ2) (resid   13 and name HD1#) 5.00 2.00 0.50
assign (resid    9 and name   HG) (resid   10 and name   HN) 5.00 2.00 0.50
assign (resid    6 and name  HB2) (resid    6 and name  HD1) 5.00 2.00 0.50
assign (resid   10 and name  HB1) (resid   12 and name  HZ2) 5.00 2.00 0.50
assign (resid   13 and name   HA) (resid   14 and name  HG1) 5.00 2.00 0.50
assign (resid    6 and name  HG2) (resid    7 and name   HN) 5.00 2.00 0.50
assign (resid   12 and name   HN) (resid   13 and name HD1#) 5.00 2.00 0.50
assign (resid   10 and name   HA) (resid   11 and name  HG2) 5.00 2.00 0.50
assign (resid   13 and name HD2#) (resid   16 and name   HN) 5.00 2.00 0.50
assign (resid    4 and name  HB1) (resid    5 and name   HA) 5.00 2.00 0.50
assign (resid    2 and name   HN) (resid   16 and name   HA) 5.00 2.00 0.50
assign (resid    4 and name  HB2) (resid    9 and name   HN) 5.00 2.00 0.50
assign (resid    4 and name  HB2) (resid    9 and name  HB1) 5.00 2.00 0.50
assign (resid    4 and name  HB1) (resid    9 and name   HN) 5.00 2.00 0.50
assign (resid   11 and name  HB1) (resid   12 and name   HN) 5.00 2.00 0.50
assign (resid   14 and name  HG1) (resid   15 and name   HN) 5.00 2.00 0.50
assign (resid    7 and name   HA) (resid    9 and name  HB2) 5.00 2.00 0.50
assign (resid   16 and name  HB1) (resid   16 and name   H2) 5.00 2.00 0.50
assign (resid   10 and name   HA) (resid   11 and name  HG1) 5.00 2.00 0.50
assign (resid   11 and name  HD1) (resid   12 and name  HZ3) 5.00 2.00 0.50
assign (resid    2 and name   HA) (resid    3 and name  HG1) 5.00 2.00 0.50
assign (resid   10 and name   HN) (resid   11 and name   HA) 5.00 2.00 0.50
assign (resid   13 and name   HN) (resid   14 and name  HD2) 5.00 2.00 0.50
assign (resid   13 and name   HA) (resid   15 and name   HN) 5.00 2.00 0.50
assign (resid   12 and name  HE1) (resid   13 and name  HB1) 5.00 2.00 0.50
assign (resid   13 and name   HA) (resid   14 and name  HG2) 5.00 2.00 0.50
assign (resid    5 and name   HN) (resid    6 and name  HD2) 5.00 2.00 0.50
assign (resid   13 and name HD2#) (resid   15 and name   HN) 5.00 2.00 0.50
assign (resid    6 and name  HG1) (resid    7 and name   HN) 5.00 2.00 0.50
assign (resid    7 and name   HA) (resid    8 and name  HD#) 5.00 2.00 0.50
assign (resid   10 and name   HA) (resid   12 and name  HE3) 5.00 2.00 0.50
assign (resid   16 and name   HA) (resid   16 and name   H2) 5.00 2.00 0.50
assign (resid   13 and name  HB2) (resid   14 and name  HD1) 5.00 2.00 0.50
assign (resid    9 and name   HN) (resid   10 and name  HB2) 5.00 2.00 0.50
assign (resid   11 and name  HB2) (resid   12 and name  HE3) 5.00 2.00 0.50
assign (resid   11 and name  HB1) (resid   13 and name   HN) 5.00 2.00 0.50
assign (resid   11 and name  HG1) (resid   12 and name  HE3) 5.00 2.00 0.50
assign (resid    9 and name  HB2) (resid   12 and name  HH2) 5.00 2.00 0.50
assign (resid   10 and name   HA) (resid   12 and name  HZ2) 5.00 2.00 0.50
assign (resid    6 and name   HA) (resid    8 and name   HN) 5.00 2.00 0.50
assign (resid    5 and name   HA) (resid    6 and name  HB2) 5.00 2.00 0.50
assign (resid   10 and name  HB2) (resid   12 and name  HZ2) 5.00 2.00 0.50
assign (resid   11 and name  HG1) (resid   12 and name  HZ3) 5.00 2.00 0.50
assign (resid    5 and name   HN) (resid    7 and name   HA) 5.00 2.00 0.50
assign (resid   10 and name   HA) (resid   13 and name HD1#) 5.00 2.00 1.00
assign (resid    5 and name   HA) (resid    9 and name HD1#) 5.00 2.00 1.00
assign (resid    8 and name  HE#) (resid    9 and name   HA) 5.00 2.00 0.50
assign (resid    9 and name  HB2) (resid   10 and name   HA) 5.00 2.00 0.50
assign (resid    6 and name  HB2) (resid    7 and name   HA) 5.00 2.00 0.50
assign (resid    3 and name  HB#) (resid    4 and name   HA) 5.00 2.00 0.50
assign (resid    5 and name  HB2) (resid    4 and name   HA) 5.00 2.00 0.50
assign (resid    5 and name  HB1) (resid    4 and name   HA) 5.00 2.00 0.50
assign (resid   16 and name   HN) (resid   16 and name   H2) 5.00 2.00 0.50
assign (resid    3 and name  HG1) (resid   13 and name HD1#) 5.00 2.00 1.00
assign (resid   13 and name  HB2) (resid    3 and name  HD2) 5.00 2.00 0.50
assign (resid   10 and name  HB2) (resid    4 and name   HA) 5.00 2.00 0.50
assign (resid    9 and name HD1#) (resid    4 and name   HA) 5.00 2.00 1.00
assign (resid    3 and name  HD1) (resid    2 and name  HB2) 5.00 2.00 0.50
assign (resid    3 and name  HD2) (resid    2 and name  HB2) 5.00 2.00 0.50
assign (resid   14 and name  HD2) (resid   13 and name   HG) 5.00 2.00 0.50
# Restraints file 2: pb18_talosn.tbl
! generated by convertToTalos
! Xplor-NIH version 2.48
! date: 2018/07/24 11:01:37

! PHI restraints
assign
  ( resid   1 and name    C)
  ( resid   2 and name    N)
  ( resid   2 and name   CA)
  ( resid   2 and name    C)
  1.0 -83.55 32.45 2
assign
  ( resid   3 and name    C)
  ( resid   4 and name    N)
  ( resid   4 and name   CA)
  ( resid   4 and name    C)
  1.0 -122.95 47.95 2
assign
  ( resid   4 and name    C)
  ( resid   5 and name    N)
  ( resid   5 and name   CA)
  ( resid   5 and name    C)
  1.0 -104.75 46.75 2
assign
  ( resid   5 and name    C)
  ( resid   6 and name    N)
  ( resid   6 and name   CA)
  ( resid   6 and name    C)
  1.0 -63.05 20.00 2
assign
  ( resid   6 and name    C)
  ( resid   7 and name    N)
  ( resid   7 and name   CA)
  ( resid   7 and name    C)
  1.0 -61.65 20.00 2
assign
  ( resid   7 and name    C)
  ( resid   8 and name    N)
  ( resid   8 and name   CA)
  ( resid   8 and name    C)
  1.0 -82.45 24.45 2
assign
  ( resid   8 and name    C)
  ( resid   9 and name    N)
  ( resid   9 and name   CA)
  ( resid   9 and name    C)
  1.0 -96.40 42.60 2
assign
  ( resid   9 and name    C)
  ( resid  10 and name    N)
  ( resid  10 and name   CA)
  ( resid  10 and name    C)
  1.0 -114.30 55.90 2
assign
  ( resid  10 and name    C)
  ( resid  11 and name    N)
  ( resid  11 and name   CA)
  ( resid  11 and name    C)
  1.0 -70.50 21.20 2
assign
  ( resid  11 and name    C)
  ( resid  12 and name    N)
  ( resid  12 and name   CA)
  ( resid  12 and name    C)
  1.0 -85.00 31.60 2
assign
  ( resid  12 and name    C)
  ( resid  13 and name    N)
  ( resid  13 and name   CA)
  ( resid  13 and name    C)
  1.0 -91.80 43.70 2
assign
  ( resid  15 and name    C)
  ( resid  16 and name    N)
  ( resid  16 and name   CA)
  ( resid  16 and name    C)
  1.0 -86.90 34.10 2

! PSI restraints
assign
  ( resid   2 and name    N)
  ( resid   2 and name   CA)
  ( resid   2 and name    C)
  ( resid   3 and name    N)
  1.0 143.80 31.80 2
assign
  ( resid   4 and name    N)
  ( resid   4 and name   CA)
  ( resid   4 and name    C)
  ( resid   5 and name    N)
  1.0 144.10 38.20 2
assign
  ( resid   5 and name    N)
  ( resid   5 and name   CA)
  ( resid   5 and name    C)
  ( resid   6 and name    N)
  1.0 144.90 33.40 2
assign
  ( resid   6 and name    N)
  ( resid   6 and name   CA)
  ( resid   6 and name    C)
  ( resid   7 and name    N)
  1.0 147.35 26.75 2
assign
  ( resid   7 and name    N)
  ( resid   7 and name   CA)
  ( resid   7 and name    C)
  ( resid   8 and name    N)
  1.0 -24.70 22.00 2
assign
  ( resid   8 and name    N)
  ( resid   8 and name   CA)
  ( resid   8 and name    C)
  ( resid   9 and name    N)
  1.0 -4.55 29.75 2
assign
  ( resid   9 and name    N)
  ( resid   9 and name   CA)
  ( resid   9 and name    C)
  ( resid  10 and name    N)
  1.0 -17.45 40.25 2
!assign
!  ( resid  10 and name    N)
!  ( resid  10 and name   CA)
!  ( resid  10 and name    C)
!  ( resid  11 and name    N)
!  1.0 129.75 31.75 2
assign
  ( resid  11 and name    N)
  ( resid  11 and name   CA)
  ( resid  11 and name    C)
  ( resid  12 and name    N)
  1.0 -18.45 20.65 2
assign
  ( resid  12 and name    N)
  ( resid  12 and name   CA)
  ( resid  12 and name    C)
  ( resid  13 and name    N)
  1.0 -3.90 41.70 2
assign
  ( resid  13 and name    N)
  ( resid  13 and name   CA)
  ( resid  13 and name    C)
  ( resid  14 and name    N)
  1.0 120.55 38.25 2
assign
  ( resid  16 and name    N)
  ( resid  16 and name   CA)
  ( resid  16 and name    C)
  ( resid  16 and name   NT)
  1.0 144.25 21.25 2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ACE   1           H1       ACE 101 -10.314  -6.424   0.379
    2    H2   ACE   1           H2       ACE 101 -10.320  -4.782  -0.266
    3    H3   ACE   1           H3       ACE 101 -10.262  -5.044   1.477
    4    H    GLY   2           H1       GLY   1  -8.359  -7.125   1.534
    5    HA2  GLY   2           HA2      GLY   1  -6.085  -7.449   1.653
    6    HA3  GLY   2           HA3      GLY   1  -6.001  -6.646   0.087
    7    H    CYS   3           H        CYS   2  -4.411  -5.181   0.255
    8    HA   CYS   3           HA       CYS   2  -3.690  -3.888   2.633
    9    HB2  CYS   3           HB2      CYS   2  -2.512  -4.177   0.206
   10    HB3  CYS   3           HB3      CYS   2  -3.011  -2.486   0.134
   11    HA   PRO   4           HA       PRO   3  -6.867  -0.744   2.714
   12    HB2  PRO   4           HB2      PRO   3  -5.663   0.965   4.495
   13    HB3  PRO   4           HB3      PRO   3  -6.487  -0.532   4.967
   14    HG2  PRO   4           HG2      PRO   3  -3.579   0.008   4.645
   15    HG3  PRO   4           HG3      PRO   3  -4.423  -0.977   5.855
   16    HD2  PRO   4           HD2      PRO   3  -3.130  -2.042   3.711
   17    HD3  PRO   4           HD3      PRO   3  -4.533  -2.816   4.476
   18    H    CYS   5           H        CYS   4  -3.645  -0.229   1.636
   19    HA   CYS   5           HA       CYS   4  -4.079   2.554   0.893
   20    HB2  CYS   5           HB2      CYS   4  -1.756   0.679   0.391
   21    HB3  CYS   5           HB3      CYS   4  -1.779   2.393  -0.027
   22    H    GLU   6           H        GLU   5  -4.843   3.212  -1.009
   23    HA   GLU   6           HA       GLU   5  -4.686   1.386  -3.288
   24    HB2  GLU   6           HB2      GLU   5  -6.881   1.080  -2.339
   25    HB3  GLU   6           HB3      GLU   5  -7.198   2.810  -2.470
   26    HG2  GLU   6           HG2      GLU   5  -6.940   2.694  -4.910
   27    HG3  GLU   6           HG3      GLU   5  -6.527   0.983  -4.806
   28    HA   PRO   7           HA       PRO   6  -3.860   1.428  -5.182
   29    HB2  PRO   7           HB2      PRO   6  -1.369   2.108  -6.057
   30    HB3  PRO   7           HB3      PRO   6  -2.841   2.304  -7.025
   31    HG2  PRO   7           HG2      PRO   6  -1.377   4.338  -5.415
   32    HG3  PRO   7           HG3      PRO   6  -2.084   4.483  -7.027
   33    HD2  PRO   7           HD2      PRO   6  -3.320   5.469  -4.838
   34    HD3  PRO   7           HD3      PRO   6  -4.240   4.770  -6.190
   35    H    SER   8           H        SER   7  -2.399  -0.146  -4.363
   36    HA   SER   8           HA       SER   7  -1.621   0.239  -1.656
   37    HB2  SER   8           HB2      SER   7  -0.827  -2.038  -1.754
   38    HB3  SER   8           HB3      SER   7  -2.330  -1.943  -2.669
   39    HG   SER   8           HG       SER   7   0.334  -2.052  -3.611
   40    H    TYR   9           H        TYR   8  -0.009   0.668  -4.685
   41    HA   TYR   9           HA       TYR   8   2.662   0.330  -3.940
   42    HB2  TYR   9           HB2      TYR   8   3.082   1.064  -6.029
   43    HB3  TYR   9           HB3      TYR   8   1.329   1.128  -6.223
   44    HD1  TYR   9           HD1      TYR   8   4.382   3.078  -5.665
   45    HD2  TYR   9           HD2      TYR   8   0.118   3.250  -5.974
   46    HE1  TYR   9           HE1      TYR   8   4.501   5.542  -5.902
   47    HE2  TYR   9           HE2      TYR   8   0.217   5.708  -6.211
   48    HH   TYR   9           HH       TYR   8   3.230   7.372  -6.699
   49    H    LEU  10           H        LEU   9   0.388   2.721  -2.985
   50    HA   LEU  10           HA       LEU   9   2.165   4.860  -2.447
   51    HB2  LEU  10           HB2      LEU   9  -0.569   4.142  -1.389
   52    HB3  LEU  10           HB3      LEU   9   0.284   5.613  -0.924
   53    HG   LEU  10           HG       LEU   9  -0.228   4.856  -3.805
   54   HD11  LEU  10          HD11      LEU   9  -2.017   6.680  -3.624
   55   HD12  LEU  10          HD12      LEU   9  -1.880   6.503  -1.875
   56   HD13  LEU  10          HD13      LEU   9  -2.408   5.140  -2.862
   57   HD21  LEU  10          HD21      LEU   9   0.106   7.395  -4.018
   58   HD22  LEU  10          HD22      LEU   9   1.542   6.451  -3.625
   59   HD23  LEU  10          HD23      LEU   9   0.703   7.347  -2.359
   60    H    CYS  11           H        CYS  10   1.396   1.918  -0.778
   61    HA   CYS  11           HA       CYS  10   3.021   2.840   1.518
   62    HB2  CYS  11           HB2      CYS  10   0.825   0.754   1.569
   63    HB3  CYS  11           HB3      CYS  10   1.721   1.384   2.951
   64    HA   PRO  12           HA       PRO  11   5.137  -0.709  -0.651
   65    HB2  PRO  12           HB2      PRO  11   7.642   0.437  -0.430
   66    HB3  PRO  12           HB3      PRO  11   6.576   0.620  -1.836
   67    HG2  PRO  12           HG2      PRO  11   7.097   2.497   0.407
   68    HG3  PRO  12           HG3      PRO  11   6.786   2.830  -1.306
   69    HD2  PRO  12           HD2      PRO  11   4.892   3.159   0.636
   70    HD3  PRO  12           HD3      PRO  11   4.494   2.755  -1.046
   71    H    TRP  13           H        TRP  12   5.629   1.059   2.312
   72    HA   TRP  13           HA       TRP  12   7.481  -0.739   3.526
   73    HB2  TRP  13           HB2      TRP  12   6.829   0.420   5.625
   74    HB3  TRP  13           HB3      TRP  12   7.265   1.541   4.333
   75    HD1  TRP  13           HD1      TRP  12   4.202   0.105   6.137
   76    HE1  TRP  13           HE1      TRP  12   2.220   1.718   5.797
   77    HE3  TRP  13           HE3      TRP  12   6.318   3.432   2.892
   78    HZ2  TRP  13           HZ2      TRP  12   1.617   4.113   4.354
   79    HZ3  TRP  13           HZ3      TRP  12   5.022   5.372   2.058
   80    HH2  TRP  13           HH2      TRP  12   2.675   5.716   2.783
   81    H    LEU  14           H        LEU  13   4.162  -0.984   2.810
   82    HA   LEU  14           HA       LEU  13   3.628  -2.789   5.008
   83    HB2  LEU  14           HB2      LEU  13   1.991  -1.276   3.089
   84    HB3  LEU  14           HB3      LEU  13   1.363  -2.863   3.544
   85    HG   LEU  14           HG       LEU  13   2.317  -0.834   5.578
   86   HD11  LEU  14          HD11      LEU  13   0.381   0.001   4.193
   87   HD12  LEU  14          HD12      LEU  13   0.013  -0.191   5.908
   88   HD13  LEU  14          HD13      LEU  13  -0.539  -1.398   4.746
   89   HD21  LEU  14          HD21      LEU  13   2.262  -3.013   6.543
   90   HD22  LEU  14          HD22      LEU  13   0.793  -3.450   5.673
   91   HD23  LEU  14          HD23      LEU  13   0.718  -2.297   7.005
   92    HA   PRO  15           HA       PRO  14   5.059  -6.163   2.334
   93    HB2  PRO  15           HB2      PRO  14   3.661  -7.743   4.447
   94    HB3  PRO  15           HB3      PRO  14   5.307  -7.919   3.808
   95    HG2  PRO  15           HG2      PRO  14   4.859  -6.853   6.202
   96    HG3  PRO  15           HG3      PRO  14   6.152  -6.252   5.148
   97    HD2  PRO  15           HD2      PRO  14   3.505  -5.029   5.773
   98    HD3  PRO  15           HD3      PRO  14   5.065  -4.254   5.423
   99    H    GLY  16           H        GLY  15   1.811  -6.021   3.759
  100    HA2  GLY  16           HA2      GLY  15   0.553  -7.870   2.042
  101    HA3  GLY  16           HA3      GLY  15  -0.266  -6.596   2.942
  102    H    CYS  17           H        CYS  16   1.103  -4.390   1.771
  103    HA   CYS  17           HA       CYS  16  -0.522  -3.889  -0.461
  104    HB2  CYS  17           HB2      CYS  16   1.839  -2.542   0.778
  105    HB3  CYS  17           HB3      CYS  16   1.340  -2.041  -0.834
  106    HN1  NH2  18           HN1      NH2 102  -0.296  -4.566  -2.574
  107    HN2  NH2  18           HN2      NH2 102   1.155  -5.112  -3.279
  Start of MODEL    2
    1    H1   ACE   1           H1       ACE 101  -8.730  -9.258   3.066
    2    H2   ACE   1           H2       ACE 101  -8.768  -7.793   4.048
    3    H3   ACE   1           H3       ACE 101  -7.711  -9.132   4.499
    4    H    GLY   2           H1       GLY   1  -8.351  -7.003   1.698
    5    HA2  GLY   2           HA2      GLY   1  -5.661  -7.276   0.698
    6    HA3  GLY   2           HA3      GLY   1  -6.911  -6.209   0.065
    7    H    CYS   3           H        CYS   2  -4.488  -5.114   0.115
    8    HA   CYS   3           HA       CYS   2  -3.727  -3.916   2.561
    9    HB2  CYS   3           HB2      CYS   2  -2.585  -4.129   0.084
   10    HB3  CYS   3           HB3      CYS   2  -3.041  -2.423   0.122
   11    HA   PRO   4           HA       PRO   3  -6.877  -0.737   2.731
   12    HB2  PRO   4           HB2      PRO   3  -5.667   0.997   4.471
   13    HB3  PRO   4           HB3      PRO   3  -6.439  -0.518   4.980
   14    HG2  PRO   4           HG2      PRO   3  -3.553   0.078   4.519
   15    HG3  PRO   4           HG3      PRO   3  -4.320  -0.863   5.814
   16    HD2  PRO   4           HD2      PRO   3  -3.120  -2.052   3.689
   17    HD3  PRO   4           HD3      PRO   3  -4.534  -2.762   4.500
   18    H    CYS   5           H        CYS   4  -3.612  -0.136   1.733
   19    HA   CYS   5           HA       CYS   4  -4.108   2.609   0.917
   20    HB2  CYS   5           HB2      CYS   4  -1.758   0.760   0.435
   21    HB3  CYS   5           HB3      CYS   4  -1.811   2.464  -0.021
   22    H    GLU   6           H        GLU   5  -4.924   3.213  -0.985
   23    HA   GLU   6           HA       GLU   5  -4.708   1.365  -3.266
   24    HB2  GLU   6           HB2      GLU   5  -6.942   1.084  -2.313
   25    HB3  GLU   6           HB3      GLU   5  -7.229   2.820  -2.447
   26    HG2  GLU   6           HG2      GLU   5  -6.950   2.706  -4.879
   27    HG3  GLU   6           HG3      GLU   5  -6.585   0.984  -4.773
   28    HA   PRO   7           HA       PRO   6  -3.838   1.415  -5.182
   29    HB2  PRO   7           HB2      PRO   6  -1.370   2.167  -6.106
   30    HB3  PRO   7           HB3      PRO   6  -2.865   2.385  -7.037
   31    HG2  PRO   7           HG2      PRO   6  -1.395   4.367  -5.360
   32    HG3  PRO   7           HG3      PRO   6  -2.090   4.562  -6.974
   33    HD2  PRO   7           HD2      PRO   6  -3.376   5.474  -4.792
   34    HD3  PRO   7           HD3      PRO   6  -4.267   4.772  -6.165
   35    H    SER   8           H        SER   7  -2.426  -0.129  -4.328
   36    HA   SER   8           HA       SER   7  -1.569   0.263  -1.658
   37    HB2  SER   8           HB2      SER   7  -0.750  -2.007  -1.790
   38    HB3  SER   8           HB3      SER   7  -2.279  -1.918  -2.661
   39    HG   SER   8           HG       SER   7  -0.339  -2.977  -3.686
   40    H    TYR   9           H        TYR   8   0.003   0.759  -4.705
   41    HA   TYR   9           HA       TYR   8   2.684   0.401  -3.963
   42    HB2  TYR   9           HB2      TYR   8   3.125   1.146  -6.044
   43    HB3  TYR   9           HB3      TYR   8   1.374   1.180  -6.257
   44    HD1  TYR   9           HD1      TYR   8   4.391   3.176  -5.752
   45    HD2  TYR   9           HD2      TYR   8   0.112   3.290  -5.952
   46    HE1  TYR   9           HE1      TYR   8   4.469   5.641  -6.001
   47    HE2  TYR   9           HE2      TYR   8   0.178   5.747  -6.203
   48    HH   TYR   9           HH       TYR   8   2.040   7.448  -7.130
   49    H    LEU  10           H        LEU   9   0.412   2.790  -2.995
   50    HA   LEU  10           HA       LEU   9   2.200   4.929  -2.434
   51    HB2  LEU  10           HB2      LEU   9  -0.550   4.228  -1.392
   52    HB3  LEU  10           HB3      LEU   9   0.315   5.696  -0.933
   53    HG   LEU  10           HG       LEU   9  -0.187   4.929  -3.813
   54   HD11  LEU  10          HD11      LEU   9  -1.836   6.636  -1.927
   55   HD12  LEU  10          HD12      LEU   9  -2.367   5.209  -2.817
   56   HD13  LEU  10          HD13      LEU   9  -1.997   6.700  -3.683
   57   HD21  LEU  10          HD21      LEU   9   0.152   7.451  -4.052
   58   HD22  LEU  10          HD22      LEU   9   1.585   6.530  -3.603
   59   HD23  LEU  10          HD23      LEU   9   0.704   7.442  -2.378
   60    H    CYS  11           H        CYS  10   1.418   1.966  -0.812
   61    HA   CYS  11           HA       CYS  10   3.022   2.854   1.514
   62    HB2  CYS  11           HB2      CYS  10   0.769   0.826   1.525
   63    HB3  CYS  11           HB3      CYS  10   1.677   1.404   2.925
   64    HA   PRO  12           HA       PRO  11   5.033  -0.745  -0.679
   65    HB2  PRO  12           HB2      PRO  11   7.557   0.345  -0.590
   66    HB3  PRO  12           HB3      PRO  11   6.417   0.600  -1.925
   67    HG2  PRO  12           HG2      PRO  11   7.075   2.383   0.365
   68    HG3  PRO  12           HG3      PRO  11   6.771   2.788  -1.333
   69    HD2  PRO  12           HD2      PRO  11   4.891   3.134   0.608
   70    HD3  PRO  12           HD3      PRO  11   4.467   2.746  -1.071
   71    H    TRP  13           H        TRP  12   5.591   1.050   2.247
   72    HA   TRP  13           HA       TRP  12   7.461  -0.737   3.444
   73    HB2  TRP  13           HB2      TRP  12   6.797   0.410   5.560
   74    HB3  TRP  13           HB3      TRP  12   7.273   1.525   4.280
   75    HD1  TRP  13           HD1      TRP  12   4.153   0.137   6.029
   76    HE1  TRP  13           HE1      TRP  12   2.209   1.793   5.672
   77    HE3  TRP  13           HE3      TRP  12   6.389   3.448   2.849
   78    HZ2  TRP  13           HZ2      TRP  12   1.677   4.208   4.235
   79    HZ3  TRP  13           HZ3      TRP  12   5.145   5.418   2.006
   80    HH2  TRP  13           HH2      TRP  12   2.793   5.803   2.695
   81    H    LEU  14           H        LEU  13   4.106  -0.980   2.800
   82    HA   LEU  14           HA       LEU  13   3.619  -2.779   5.027
   83    HB2  LEU  14           HB2      LEU  13   1.960  -1.337   3.051
   84    HB3  LEU  14           HB3      LEU  13   1.350  -2.912   3.569
   85    HG   LEU  14           HG       LEU  13   2.282  -0.793   5.521
   86   HD11  LEU  14          HD11      LEU  13  -0.030  -0.157   5.821
   87   HD12  LEU  14          HD12      LEU  13  -0.569  -1.413   4.707
   88   HD13  LEU  14          HD13      LEU  13   0.340  -0.028   4.102
   89   HD21  LEU  14          HD21      LEU  13   2.244  -2.945   6.556
   90   HD22  LEU  14          HD22      LEU  13   0.762  -3.405   5.718
   91   HD23  LEU  14          HD23      LEU  13   0.710  -2.205   7.009
   92    HA   PRO  15           HA       PRO  14   5.106  -6.205   2.434
   93    HB2  PRO  15           HB2      PRO  14   3.672  -7.743   4.564
   94    HB3  PRO  15           HB3      PRO  14   5.307  -7.977   3.913
   95    HG2  PRO  15           HG2      PRO  14   4.963  -6.875   6.283
   96    HG3  PRO  15           HG3      PRO  14   6.195  -6.249   5.168
   97    HD2  PRO  15           HD2      PRO  14   3.514  -5.097   5.853
   98    HD3  PRO  15           HD3      PRO  14   5.051  -4.264   5.521
   99    H    GLY  16           H        GLY  15   1.849  -6.082   3.824
  100    HA2  GLY  16           HA2      GLY  15   0.611  -7.950   2.116
  101    HA3  GLY  16           HA3      GLY  15  -0.216  -6.668   2.997
  102    H    CYS  17           H        CYS  16   1.121  -4.460   1.815
  103    HA   CYS  17           HA       CYS  16  -0.490  -3.994  -0.434
  104    HB2  CYS  17           HB2      CYS  16   1.861  -2.628   0.801
  105    HB3  CYS  17           HB3      CYS  16   1.376  -2.148  -0.824
  106    HN1  NH2  18           HN1      NH2 102  -0.267  -4.745  -2.517
  107    HN2  NH2  18           HN2      NH2 102   1.189  -5.277  -3.218
  Start of MODEL    3
    1    H1   ACE   1           H1       ACE 101  -9.822  -8.007   2.421
    2    H2   ACE   1           H2       ACE 101 -10.789  -6.623   1.910
    3    H3   ACE   1           H3       ACE 101  -9.831  -6.533   3.389
    4    H    GLY   2           H1       GLY   1  -7.465  -7.736   2.432
    5    HA2  GLY   2           HA2      GLY   1  -5.606  -7.388   1.087
    6    HA3  GLY   2           HA3      GLY   1  -6.577  -6.343   0.055
    7    H    CYS   3           H        CYS   2  -4.376  -5.195   0.224
    8    HA   CYS   3           HA       CYS   2  -3.666  -3.895   2.623
    9    HB2  CYS   3           HB2      CYS   2  -2.474  -4.161   0.185
   10    HB3  CYS   3           HB3      CYS   2  -3.001  -2.475   0.130
   11    HA   PRO   4           HA       PRO   3  -6.877  -0.751   2.673
   12    HB2  PRO   4           HB2      PRO   3  -5.740   0.997   4.447
   13    HB3  PRO   4           HB3      PRO   3  -6.503  -0.530   4.934
   14    HG2  PRO   4           HG2      PRO   3  -3.616   0.107   4.556
   15    HG3  PRO   4           HG3      PRO   3  -4.408  -0.846   5.827
   16    HD2  PRO   4           HD2      PRO   3  -3.125  -2.008   3.728
   17    HD3  PRO   4           HD3      PRO   3  -4.538  -2.751   4.513
   18    H    CYS   5           H        CYS   4  -3.615  -0.158   1.712
   19    HA   CYS   5           HA       CYS   4  -4.081   2.588   0.901
   20    HB2  CYS   5           HB2      CYS   4  -1.748   0.705   0.420
   21    HB3  CYS   5           HB3      CYS   4  -1.773   2.412  -0.032
   22    H    GLU   6           H        GLU   5  -4.916   3.204  -0.963
   23    HA   GLU   6           HA       GLU   5  -4.722   1.374  -3.250
   24    HB2  GLU   6           HB2      GLU   5  -7.212   2.808  -2.362
   25    HB3  GLU   6           HB3      GLU   5  -7.035   1.912  -3.869
   26    HG2  GLU   6           HG2      GLU   5  -6.494  -0.121  -2.636
   27    HG3  GLU   6           HG3      GLU   5  -6.611   0.749  -1.108
   28    HA   PRO   7           HA       PRO   6  -3.848   1.395  -5.156
   29    HB2  PRO   7           HB2      PRO   6  -1.355   2.132  -6.061
   30    HB3  PRO   7           HB3      PRO   6  -2.831   2.276  -7.024
   31    HG2  PRO   7           HG2      PRO   6  -1.377   4.368  -5.486
   32    HG3  PRO   7           HG3      PRO   6  -2.154   4.469  -7.074
   33    HD2  PRO   7           HD2      PRO   6  -3.326   5.443  -4.828
   34    HD3  PRO   7           HD3      PRO   6  -4.269   4.756  -6.169
   35    H    SER   8           H        SER   7  -2.408  -0.153  -4.339
   36    HA   SER   8           HA       SER   7  -1.590   0.228  -1.646
   37    HB2  SER   8           HB2      SER   7  -0.796  -2.035  -1.763
   38    HB3  SER   8           HB3      SER   7  -2.307  -1.940  -2.669
   39    HG   SER   8           HG       SER   7  -0.810  -3.020  -3.917
   40    H    TYR   9           H        TYR   8   0.000   0.702  -4.686
   41    HA   TYR   9           HA       TYR   8   2.676   0.351  -3.919
   42    HB2  TYR   9           HB2      TYR   8   3.128   1.080  -6.008
   43    HB3  TYR   9           HB3      TYR   8   1.378   1.121  -6.231
   44    HD1  TYR   9           HD1      TYR   8   4.404   3.114  -5.673
   45    HD2  TYR   9           HD2      TYR   8   0.130   3.230  -5.999
   46    HE1  TYR   9           HE1      TYR   8   4.489   5.579  -5.943
   47    HE2  TYR   9           HE2      TYR   8   0.207   5.684  -6.269
   48    HH   TYR   9           HH       TYR   8   2.692   7.541  -5.432
   49    H    LEU  10           H        LEU   9   0.382   2.740  -2.995
   50    HA   LEU  10           HA       LEU   9   2.164   4.885  -2.439
   51    HB2  LEU  10           HB2      LEU   9  -0.585   4.192  -1.400
   52    HB3  LEU  10           HB3      LEU   9   0.278   5.658  -0.937
   53    HG   LEU  10           HG       LEU   9  -0.251   4.888  -3.815
   54   HD11  LEU  10          HD11      LEU   9  -2.403   5.228  -2.778
   55   HD12  LEU  10          HD12      LEU   9  -2.017   6.695  -3.679
   56   HD13  LEU  10          HD13      LEU   9  -1.823   6.659  -1.927
   57   HD21  LEU  10          HD21      LEU   9   0.135   7.427  -4.048
   58   HD22  LEU  10          HD22      LEU   9   1.553   6.448  -3.687
   59   HD23  LEU  10          HD23      LEU   9   0.768   7.366  -2.403
   60    H    CYS  11           H        CYS  10   1.437   1.921  -0.814
   61    HA   CYS  11           HA       CYS  10   3.028   2.845   1.505
   62    HB2  CYS  11           HB2      CYS  10   0.808   0.787   1.531
   63    HB3  CYS  11           HB3      CYS  10   1.714   1.382   2.925
   64    HA   PRO  12           HA       PRO  11   5.107  -0.738  -0.666
   65    HB2  PRO  12           HB2      PRO  11   7.618   0.373  -0.536
   66    HB3  PRO  12           HB3      PRO  11   6.492   0.639  -1.884
   67    HG2  PRO  12           HG2      PRO  11   7.087   2.384   0.459
   68    HG3  PRO  12           HG3      PRO  11   6.843   2.822  -1.244
   69    HD2  PRO  12           HD2      PRO  11   4.894   3.143   0.613
   70    HD3  PRO  12           HD3      PRO  11   4.526   2.735  -1.071
   71    H    TRP  13           H        TRP  12   5.589   1.037   2.282
   72    HA   TRP  13           HA       TRP  12   7.466  -0.751   3.487
   73    HB2  TRP  13           HB2      TRP  12   6.802   0.398   5.597
   74    HB3  TRP  13           HB3      TRP  12   7.269   1.520   4.318
   75    HD1  TRP  13           HD1      TRP  12   4.177   0.135   6.108
   76    HE1  TRP  13           HE1      TRP  12   2.217   1.769   5.749
   77    HE3  TRP  13           HE3      TRP  12   6.352   3.417   2.860
   78    HZ2  TRP  13           HZ2      TRP  12   1.653   4.165   4.293
   79    HZ3  TRP  13           HZ3      TRP  12   5.088   5.373   2.014
   80    HH2  TRP  13           HH2      TRP  12   2.742   5.751   2.725
   81    H    LEU  14           H        LEU  13   4.126  -0.976   2.794
   82    HA   LEU  14           HA       LEU  13   3.614  -2.780   5.018
   83    HB2  LEU  14           HB2      LEU  13   1.966  -1.307   3.065
   84    HB3  LEU  14           HB3      LEU  13   1.345  -2.886   3.556
   85    HG   LEU  14           HG       LEU  13   2.290  -0.806   5.537
   86   HD11  LEU  14          HD11      LEU  13  -0.109  -0.311   5.897
   87   HD12  LEU  14          HD12      LEU  13  -0.519  -1.370   4.547
   88   HD13  LEU  14          HD13      LEU  13   0.404   0.106   4.261
   89   HD21  LEU  14          HD21      LEU  13   0.755  -3.412   5.709
   90   HD22  LEU  14          HD22      LEU  13   0.714  -2.227   7.012
   91   HD23  LEU  14          HD23      LEU  13   2.240  -2.972   6.548
   92    HA   PRO  15           HA       PRO  14   5.063  -6.205   2.400
   93    HB2  PRO  15           HB2      PRO  14   3.600  -7.756   4.496
   94    HB3  PRO  15           HB3      PRO  14   5.249  -7.976   3.873
   95    HG2  PRO  15           HG2      PRO  14   4.819  -6.896   6.255
   96    HG3  PRO  15           HG3      PRO  14   6.119  -6.307   5.203
   97    HD2  PRO  15           HD2      PRO  14   3.468  -5.059   5.816
   98    HD3  PRO  15           HD3      PRO  14   5.037  -4.280   5.492
   99    H    GLY  16           H        GLY  15   1.800  -6.042   3.772
  100    HA2  GLY  16           HA2      GLY  15   0.542  -7.875   2.041
  101    HA3  GLY  16           HA3      GLY  15  -0.268  -6.592   2.935
  102    H    CYS  17           H        CYS  16   1.098  -4.395   1.795
  103    HA   CYS  17           HA       CYS  16  -0.491  -3.876  -0.458
  104    HB2  CYS  17           HB2      CYS  16   1.850  -2.543   0.827
  105    HB3  CYS  17           HB3      CYS  16   1.393  -2.037  -0.796
  106    HN1  NH2  18           HN1      NH2 102  -0.258  -4.591  -2.548
  107    HN2  NH2  18           HN2      NH2 102   1.204  -5.115  -3.250
  Start of MODEL    4
    1    H1   ACE   1           H1       ACE 101  -7.704  -8.222   4.822
    2    H2   ACE   1           H2       ACE 101  -7.834  -9.509   3.623
    3    H3   ACE   1           H3       ACE 101  -9.188  -8.409   3.891
    4    H    GLY   2           H1       GLY   1  -5.797  -8.496   2.821
    5    HA2  GLY   2           HA2      GLY   1  -4.877  -7.491   0.927
    6    HA3  GLY   2           HA3      GLY   1  -6.405  -6.663   0.649
    7    H    CYS   3           H        CYS   2  -4.245  -5.166   0.260
    8    HA   CYS   3           HA       CYS   2  -3.409  -3.867   2.681
    9    HB2  CYS   3           HB2      CYS   2  -2.231  -4.149   0.250
   10    HB3  CYS   3           HB3      CYS   2  -2.875  -2.512   0.116
   11    HA   PRO   4           HA       PRO   3  -6.810  -0.934   2.619
   12    HB2  PRO   4           HB2      PRO   3  -5.865   0.850   4.445
   13    HB3  PRO   4           HB3      PRO   3  -6.466  -0.759   4.900
   14    HG2  PRO   4           HG2      PRO   3  -3.655   0.171   4.524
   15    HG3  PRO   4           HG3      PRO   3  -4.344  -0.848   5.801
   16    HD2  PRO   4           HD2      PRO   3  -2.973  -1.869   3.690
   17    HD3  PRO   4           HD3      PRO   3  -4.284  -2.754   4.500
   18    H    CYS   5           H        CYS   4  -3.584  -0.204   1.663
   19    HA   CYS   5           HA       CYS   4  -4.111   2.549   0.920
   20    HB2  CYS   5           HB2      CYS   4  -1.751   0.720   0.419
   21    HB3  CYS   5           HB3      CYS   4  -1.806   2.420  -0.050
   22    H    GLU   6           H        GLU   5  -4.881   3.238  -0.979
   23    HA   GLU   6           HA       GLU   5  -4.696   1.431  -3.285
   24    HB2  GLU   6           HB2      GLU   5  -6.916   1.123  -2.379
   25    HB3  GLU   6           HB3      GLU   5  -7.217   2.860  -2.450
   26    HG2  GLU   6           HG2      GLU   5  -6.935   2.835  -4.889
   27    HG3  GLU   6           HG3      GLU   5  -6.528   1.120  -4.844
   28    HA   PRO   7           HA       PRO   6  -3.849   1.511  -5.203
   29    HB2  PRO   7           HB2      PRO   6  -1.319   2.257  -6.010
   30    HB3  PRO   7           HB3      PRO   6  -2.767   2.370  -7.025
   31    HG2  PRO   7           HG2      PRO   6  -1.375   4.496  -5.489
   32    HG3  PRO   7           HG3      PRO   6  -2.172   4.576  -7.066
   33    HD2  PRO   7           HD2      PRO   6  -3.303   5.541  -4.799
   34    HD3  PRO   7           HD3      PRO   6  -4.262   4.883  -6.145
   35    H    SER   8           H        SER   7  -2.400  -0.074  -4.417
   36    HA   SER   8           HA       SER   7  -1.630   0.242  -1.697
   37    HB2  SER   8           HB2      SER   7  -0.806  -2.031  -1.872
   38    HB3  SER   8           HB3      SER   7  -2.341  -1.915  -2.728
   39    HG   SER   8           HG       SER   7  -0.400  -2.961  -3.779
   40    H    TYR   9           H        TYR   8  -0.020   0.762  -4.712
   41    HA   TYR   9           HA       TYR   8   2.652   0.408  -3.955
   42    HB2  TYR   9           HB2      TYR   8   3.073   1.143  -6.042
   43    HB3  TYR   9           HB3      TYR   8   1.321   1.239  -6.239
   44    HD1  TYR   9           HD1      TYR   8   4.404   3.131  -5.684
   45    HD2  TYR   9           HD2      TYR   8   0.140   3.374  -5.947
   46    HE1  TYR   9           HE1      TYR   8   4.556   5.597  -5.893
   47    HE2  TYR   9           HE2      TYR   8   0.271   5.825  -6.161
   48    HH   TYR   9           HH       TYR   8   3.242   7.546  -5.606
   49    H    LEU  10           H        LEU   9   0.360   2.782  -2.976
   50    HA   LEU  10           HA       LEU   9   2.131   4.923  -2.414
   51    HB2  LEU  10           HB2      LEU   9  -0.587   4.177  -1.327
   52    HB3  LEU  10           HB3      LEU   9   0.262   5.656  -0.876
   53    HG   LEU  10           HG       LEU   9  -0.328   4.888  -3.744
   54   HD11  LEU  10          HD11      LEU   9  -2.091   6.717  -3.532
   55   HD12  LEU  10          HD12      LEU   9  -1.886   6.591  -1.785
   56   HD13  LEU  10          HD13      LEU   9  -2.468   5.205  -2.707
   57   HD21  LEU  10          HD21      LEU   9   1.469   6.465  -3.629
   58   HD22  LEU  10          HD22      LEU   9   0.671   7.384  -2.351
   59   HD23  LEU  10          HD23      LEU   9   0.030   7.417  -3.993
   60    H    CYS  11           H        CYS  10   1.344   1.960  -0.780
   61    HA   CYS  11           HA       CYS  10   3.046   2.818   1.482
   62    HB2  CYS  11           HB2      CYS  10   0.792   0.808   1.609
   63    HB3  CYS  11           HB3      CYS  10   1.710   1.469   2.960
   64    HA   PRO  12           HA       PRO  11   4.913  -0.859  -0.692
   65    HB2  PRO  12           HB2      PRO  11   7.473   0.130  -0.647
   66    HB3  PRO  12           HB3      PRO  11   6.325   0.407  -1.971
   67    HG2  PRO  12           HG2      PRO  11   7.110   2.204   0.261
   68    HG3  PRO  12           HG3      PRO  11   6.747   2.587  -1.429
   69    HD2  PRO  12           HD2      PRO  11   4.985   3.012   0.616
   70    HD3  PRO  12           HD3      PRO  11   4.479   2.689  -1.055
   71    H    TRP  13           H        TRP  12   5.731   0.969   2.185
   72    HA   TRP  13           HA       TRP  12   7.506  -0.897   3.359
   73    HB2  TRP  13           HB2      TRP  12   6.964   0.258   5.478
   74    HB3  TRP  13           HB3      TRP  12   7.339   1.397   4.187
   75    HD1  TRP  13           HD1      TRP  12   4.388  -0.029   6.163
   76    HE1  TRP  13           HE1      TRP  12   2.395   1.590   5.949
   77    HE3  TRP  13           HE3      TRP  12   6.308   3.292   2.794
   78    HZ2  TRP  13           HZ2      TRP  12   1.711   3.991   4.547
   79    HZ3  TRP  13           HZ3      TRP  12   4.969   5.238   2.043
   80    HH2  TRP  13           HH2      TRP  12   2.674   5.591   2.914
   81    H    LEU  14           H        LEU  13   4.070  -0.837   2.919
   82    HA   LEU  14           HA       LEU  13   3.502  -2.654   5.055
   83    HB2  LEU  14           HB2      LEU  13   1.966  -1.222   2.989
   84    HB3  LEU  14           HB3      LEU  13   1.293  -2.774   3.497
   85    HG   LEU  14           HG       LEU  13   2.212  -0.673   5.474
   86   HD11  LEU  14          HD11      LEU  13  -0.577  -1.171   4.393
   87   HD12  LEU  14          HD12      LEU  13   0.406   0.261   4.082
   88   HD13  LEU  14          HD13      LEU  13  -0.172  -0.076   5.714
   89   HD21  LEU  14          HD21      LEU  13   0.544  -2.007   6.912
   90   HD22  LEU  14          HD22      LEU  13   2.045  -2.833   6.501
   91   HD23  LEU  14          HD23      LEU  13   0.564  -3.212   5.624
   92    HA   PRO  15           HA       PRO  14   4.963  -6.221   2.649
   93    HB2  PRO  15           HB2      PRO  14   3.349  -7.669   4.696
   94    HB3  PRO  15           HB3      PRO  14   5.034  -7.921   4.201
   95    HG2  PRO  15           HG2      PRO  14   4.429  -6.749   6.507
   96    HG3  PRO  15           HG3      PRO  14   5.824  -6.231   5.543
   97    HD2  PRO  15           HD2      PRO  14   3.179  -4.914   5.906
   98    HD3  PRO  15           HD3      PRO  14   4.785  -4.190   5.668
   99    H    GLY  16           H        GLY  15   1.627  -5.932   3.817
  100    HA2  GLY  16           HA2      GLY  15   0.444  -7.792   2.052
  101    HA3  GLY  16           HA3      GLY  15  -0.397  -6.472   2.860
  102    H    CYS  17           H        CYS  16   1.117  -4.337   1.772
  103    HA   CYS  17           HA       CYS  16  -0.305  -3.830  -0.600
  104    HB2  CYS  17           HB2      CYS  16   1.957  -2.520   0.842
  105    HB3  CYS  17           HB3      CYS  16   1.638  -2.033  -0.821
  106    HN1  NH2  18           HN1      NH2 102   0.118  -4.438  -2.702
  107    HN2  NH2  18           HN2      NH2 102   1.598  -5.062  -3.263
  Start of MODEL    5
    1    H1   ACE   1           H1       ACE 101  -8.607  -9.248   3.436
    2    H2   ACE   1           H2       ACE 101  -9.691  -9.555   2.079
    3    H3   ACE   1           H3       ACE 101  -9.710  -7.987   2.885
    4    H    GLY   2           H1       GLY   1  -7.509  -6.844   2.882
    5    HA2  GLY   2           HA2      GLY   1  -5.511  -7.406   0.999
    6    HA3  GLY   2           HA3      GLY   1  -6.706  -6.377   0.218
    7    H    CYS   3           H        CYS   2  -4.479  -5.144   0.228
    8    HA   CYS   3           HA       CYS   2  -3.724  -3.894   2.648
    9    HB2  CYS   3           HB2      CYS   2  -2.558  -4.148   0.189
   10    HB3  CYS   3           HB3      CYS   2  -3.040  -2.450   0.185
   11    HA   PRO   4           HA       PRO   3  -6.916  -0.752   2.688
   12    HB2  PRO   4           HB2      PRO   3  -5.761   0.983   4.462
   13    HB3  PRO   4           HB3      PRO   3  -6.516  -0.547   4.947
   14    HG2  PRO   4           HG2      PRO   3  -3.634   0.097   4.550
   15    HG3  PRO   4           HG3      PRO   3  -4.413  -0.873   5.814
   16    HD2  PRO   4           HD2      PRO   3  -3.148  -1.971   3.682
   17    HD3  PRO   4           HD3      PRO   3  -4.526  -2.753   4.488
   18    H    CYS   5           H        CYS   4  -3.644  -0.155   1.731
   19    HA   CYS   5           HA       CYS   4  -4.091   2.591   0.920
   20    HB2  CYS   5           HB2      CYS   4  -1.783   0.693   0.428
   21    HB3  CYS   5           HB3      CYS   4  -1.795   2.399  -0.023
   22    H    GLU   6           H        GLU   5  -4.811   3.269  -1.003
   23    HA   GLU   6           HA       GLU   5  -4.698   1.401  -3.253
   24    HB2  GLU   6           HB2      GLU   5  -6.905   1.155  -2.314
   25    HB3  GLU   6           HB3      GLU   5  -7.186   2.891  -2.437
   26    HG2  GLU   6           HG2      GLU   5  -8.193   1.764  -4.364
   27    HG3  GLU   6           HG3      GLU   5  -6.825   2.723  -4.917
   28    HA   PRO   7           HA       PRO   6  -3.851   1.417  -5.151
   29    HB2  PRO   7           HB2      PRO   6  -1.358   2.057  -6.057
   30    HB3  PRO   7           HB3      PRO   6  -2.838   2.265  -7.016
   31    HG2  PRO   7           HG2      PRO   6  -1.333   4.290  -5.429
   32    HG3  PRO   7           HG3      PRO   6  -2.043   4.434  -7.040
   33    HD2  PRO   7           HD2      PRO   6  -3.260   5.457  -4.856
   34    HD3  PRO   7           HD3      PRO   6  -4.196   4.760  -6.198
   35    H    SER   8           H        SER   7  -2.406  -0.160  -4.319
   36    HA   SER   8           HA       SER   7  -1.602   0.251  -1.623
   37    HB2  SER   8           HB2      SER   7  -0.860  -2.033  -1.682
   38    HB3  SER   8           HB3      SER   7  -2.343  -1.935  -2.629
   39    HG   SER   8           HG       SER   7  -1.160  -2.022  -4.478
   40    H    TYR   9           H        TYR   8  -0.008   0.641  -4.668
   41    HA   TYR   9           HA       TYR   8   2.667   0.280  -3.921
   42    HB2  TYR   9           HB2      TYR   8   3.092   0.958  -6.028
   43    HB3  TYR   9           HB3      TYR   8   1.341   1.033  -6.222
   44    HD1  TYR   9           HD1      TYR   8   4.411   2.968  -5.740
   45    HD2  TYR   9           HD2      TYR   8   0.145   3.169  -6.000
   46    HE1  TYR   9           HE1      TYR   8   4.548   5.425  -6.037
   47    HE2  TYR   9           HE2      TYR   8   0.262   5.619  -6.296
   48    HH   TYR   9           HH       TYR   8   2.237   7.259  -7.253
   49    H    LEU  10           H        LEU   9   0.412   2.700  -2.989
   50    HA   LEU  10           HA       LEU   9   2.227   4.824  -2.493
   51    HB2  LEU  10           HB2      LEU   9  -0.534   4.181  -1.464
   52    HB3  LEU  10           HB3      LEU   9   0.346   5.630  -0.982
   53    HG   LEU  10           HG       LEU   9  -0.153   4.883  -3.870
   54   HD11  LEU  10          HD11      LEU   9  -1.734   6.686  -2.013
   55   HD12  LEU  10          HD12      LEU   9  -2.322   5.242  -2.840
   56   HD13  LEU  10          HD13      LEU   9  -1.912   6.686  -3.766
   57   HD21  LEU  10          HD21      LEU   9   0.874   7.337  -2.424
   58   HD22  LEU  10          HD22      LEU   9   0.259   7.424  -4.076
   59   HD23  LEU  10          HD23      LEU   9   1.661   6.420  -3.707
   60    H    CYS  11           H        CYS  10   1.409   1.917  -0.804
   61    HA   CYS  11           HA       CYS  10   3.008   2.847   1.505
   62    HB2  CYS  11           HB2      CYS  10   0.792   0.780   1.505
   63    HB3  CYS  11           HB3      CYS  10   1.686   1.356   2.910
   64    HA   PRO  12           HA       PRO  11   5.141  -0.724  -0.626
   65    HB2  PRO  12           HB2      PRO  11   7.641   0.436  -0.432
   66    HB3  PRO  12           HB3      PRO  11   6.568   0.591  -1.836
   67    HG2  PRO  12           HG2      PRO  11   7.083   2.504   0.376
   68    HG3  PRO  12           HG3      PRO  11   6.771   2.808  -1.339
   69    HD2  PRO  12           HD2      PRO  11   4.886   3.162   0.602
   70    HD3  PRO  12           HD3      PRO  11   4.482   2.733  -1.075
   71    H    TRP  13           H        TRP  12   5.576   1.069   2.326
   72    HA   TRP  13           HA       TRP  12   7.449  -0.702   3.559
   73    HB2  TRP  13           HB2      TRP  12   6.736   0.451   5.657
   74    HB3  TRP  13           HB3      TRP  12   7.243   1.557   4.382
   75    HD1  TRP  13           HD1      TRP  12   4.097   0.210   6.096
   76    HE1  TRP  13           HE1      TRP  12   2.160   1.856   5.673
   77    HE3  TRP  13           HE3      TRP  12   6.384   3.449   2.887
   78    HZ2  TRP  13           HZ2      TRP  12   1.654   4.248   4.187
   79    HZ3  TRP  13           HZ3      TRP  12   5.158   5.408   1.992
   80    HH2  TRP  13           HH2      TRP  12   2.796   5.810   2.636
   81    H    LEU  14           H        LEU  13   4.145  -0.994   2.794
   82    HA   LEU  14           HA       LEU  13   3.617  -2.800   4.998
   83    HB2  LEU  14           HB2      LEU  13   1.954  -1.339   3.035
   84    HB3  LEU  14           HB3      LEU  13   1.347  -2.905   3.579
   85    HG   LEU  14           HG       LEU  13   2.323  -0.782   5.499
   86   HD11  LEU  14          HD11      LEU  13  -0.022  -0.193   5.858
   87   HD12  LEU  14          HD12      LEU  13  -0.521  -1.359   4.633
   88   HD13  LEU  14          HD13      LEU  13   0.408   0.066   4.167
   89   HD21  LEU  14          HD21      LEU  13   0.756  -3.363   5.748
   90   HD22  LEU  14          HD22      LEU  13   0.770  -2.153   7.030
   91   HD23  LEU  14          HD23      LEU  13   2.271  -2.937   6.543
   92    HA   PRO  15           HA       PRO  14   5.099  -6.129   2.268
   93    HB2  PRO  15           HB2      PRO  14   3.758  -7.752   4.390
   94    HB3  PRO  15           HB3      PRO  14   5.394  -7.902   3.720
   95    HG2  PRO  15           HG2      PRO  14   4.994  -6.861   6.124
   96    HG3  PRO  15           HG3      PRO  14   6.233  -6.207   5.039
   97    HD2  PRO  15           HD2      PRO  14   3.557  -5.096   5.738
   98    HD3  PRO  15           HD3      PRO  14   5.085  -4.258   5.393
   99    H    GLY  16           H        GLY  15   1.871  -6.038   3.733
  100    HA2  GLY  16           HA2      GLY  15   0.608  -7.894   2.021
  101    HA3  GLY  16           HA3      GLY  15  -0.210  -6.634   2.942
  102    H    CYS  17           H        CYS  16   1.107  -4.404   1.785
  103    HA   CYS  17           HA       CYS  16  -0.544  -3.890  -0.424
  104    HB2  CYS  17           HB2      CYS  16   1.818  -2.536   0.809
  105    HB3  CYS  17           HB3      CYS  16   1.296  -2.016  -0.789
  106    HN1  NH2  18           HN1      NH2 102  -0.330  -4.529  -2.549
  107    HN2  NH2  18           HN2      NH2 102   1.117  -5.053  -3.275
  Start of MODEL    6
    1    H1   ACE   1           H1       ACE 101  -7.631  -9.896   3.552
    2    H2   ACE   1           H2       ACE 101  -7.966  -8.645   4.749
    3    H3   ACE   1           H3       ACE 101  -6.320  -9.234   4.527
    4    H    GLY   2           H1       GLY   1  -5.213  -8.711   2.545
    5    HA2  GLY   2           HA2      GLY   1  -4.798  -7.463   0.608
    6    HA3  GLY   2           HA3      GLY   1  -6.389  -6.723   0.771
    7    H    CYS   3           H        CYS   2  -4.453  -4.994   0.134
    8    HA   CYS   3           HA       CYS   2  -3.373  -3.854   2.598
    9    HB2  CYS   3           HB2      CYS   2  -2.280  -4.083   0.117
   10    HB3  CYS   3           HB3      CYS   2  -2.908  -2.433   0.061
   11    HA   PRO   4           HA       PRO   3  -6.759  -0.929   2.695
   12    HB2  PRO   4           HB2      PRO   3  -5.782   0.850   4.499
   13    HB3  PRO   4           HB3      PRO   3  -6.369  -0.759   4.963
   14    HG2  PRO   4           HG2      PRO   3  -3.568   0.185   4.552
   15    HG3  PRO   4           HG3      PRO   3  -4.235  -0.857   5.825
   16    HD2  PRO   4           HD2      PRO   3  -2.887  -1.855   3.669
   17    HD3  PRO   4           HD3      PRO   3  -4.178  -2.750   4.501
   18    H    CYS   5           H        CYS   4  -3.576  -0.184   1.651
   19    HA   CYS   5           HA       CYS   4  -4.142   2.580   0.944
   20    HB2  CYS   5           HB2      CYS   4  -1.769   0.790   0.364
   21    HB3  CYS   5           HB3      CYS   4  -1.859   2.507  -0.034
   22    H    GLU   6           H        GLU   5  -4.956   3.243  -0.955
   23    HA   GLU   6           HA       GLU   5  -4.780   1.433  -3.270
   24    HB2  GLU   6           HB2      GLU   5  -7.015   1.198  -2.272
   25    HB3  GLU   6           HB3      GLU   5  -7.258   2.938  -2.446
   26    HG2  GLU   6           HG2      GLU   5  -7.054   2.789  -4.858
   27    HG3  GLU   6           HG3      GLU   5  -6.623   1.084  -4.755
   28    HA   PRO   7           HA       PRO   6  -3.911   1.488  -5.195
   29    HB2  PRO   7           HB2      PRO   6  -1.448   2.227  -6.139
   30    HB3  PRO   7           HB3      PRO   6  -2.947   2.454  -7.055
   31    HG2  PRO   7           HG2      PRO   6  -1.446   4.423  -5.395
   32    HG3  PRO   7           HG3      PRO   6  -2.174   4.631  -6.994
   33    HD2  PRO   7           HD2      PRO   6  -3.397   5.530  -4.761
   34    HD3  PRO   7           HD3      PRO   6  -4.327   4.870  -6.126
   35    H    SER   8           H        SER   7  -2.486  -0.082  -4.413
   36    HA   SER   8           HA       SER   7  -1.609   0.217  -1.745
   37    HB2  SER   8           HB2      SER   7  -0.747  -2.041  -1.990
   38    HB3  SER   8           HB3      SER   7  -2.315  -1.928  -2.785
   39    HG   SER   8           HG       SER   7  -0.840  -2.947  -4.146
   40    H    TYR   9           H        TYR   8  -0.033   0.819  -4.780
   41    HA   TYR   9           HA       TYR   8   2.647   0.442  -4.027
   42    HB2  TYR   9           HB2      TYR   8   3.124   1.255  -6.075
   43    HB3  TYR   9           HB3      TYR   8   1.376   1.257  -6.320
   44    HD1  TYR   9           HD1      TYR   8   4.344   3.305  -5.699
   45    HD2  TYR   9           HD2      TYR   8   0.070   3.343  -6.028
   46    HE1  TYR   9           HE1      TYR   8   4.381   5.774  -5.911
   47    HE2  TYR   9           HE2      TYR   8   0.098   5.806  -6.240
   48    HH   TYR   9           HH       TYR   8   2.165   7.547  -7.138
   49    H    LEU  10           H        LEU   9   0.375   2.812  -3.016
   50    HA   LEU  10           HA       LEU   9   2.166   4.934  -2.410
   51    HB2  LEU  10           HB2      LEU   9  -0.581   4.226  -1.369
   52    HB3  LEU  10           HB3      LEU   9   0.287   5.689  -0.904
   53    HG   LEU  10           HG       LEU   9  -0.247   4.945  -3.785
   54   HD11  LEU  10          HD11      LEU   9  -1.847   6.674  -1.878
   55   HD12  LEU  10          HD12      LEU   9  -2.408   5.251  -2.756
   56   HD13  LEU  10          HD13      LEU   9  -2.029   6.734  -3.631
   57   HD21  LEU  10          HD21      LEU   9   1.549   6.513  -3.608
   58   HD22  LEU  10          HD22      LEU   9   0.727   7.422  -2.340
   59   HD23  LEU  10          HD23      LEU   9   0.126   7.477  -3.996
   60    H    CYS  11           H        CYS  10   1.447   1.929  -0.843
   61    HA   CYS  11           HA       CYS  10   3.032   2.816   1.496
   62    HB2  CYS  11           HB2      CYS  10   0.781   0.792   1.524
   63    HB3  CYS  11           HB3      CYS  10   1.684   1.388   2.917
   64    HA   PRO  12           HA       PRO  11   5.034  -0.789  -0.707
   65    HB2  PRO  12           HB2      PRO  11   7.572   0.265  -0.540
   66    HB3  PRO  12           HB3      PRO  11   6.468   0.540  -1.901
   67    HG2  PRO  12           HG2      PRO  11   7.072   2.299   0.428
   68    HG3  PRO  12           HG3      PRO  11   6.841   2.723  -1.281
   69    HD2  PRO  12           HD2      PRO  11   4.887   3.094   0.562
   70    HD3  PRO  12           HD3      PRO  11   4.523   2.670  -1.121
   71    H    TRP  13           H        TRP  12   5.703   1.001   2.231
   72    HA   TRP  13           HA       TRP  12   7.483  -0.866   3.415
   73    HB2  TRP  13           HB2      TRP  12   6.905   0.290   5.538
   74    HB3  TRP  13           HB3      TRP  12   7.348   1.413   4.250
   75    HD1  TRP  13           HD1      TRP  12   4.298   0.061   6.133
   76    HE1  TRP  13           HE1      TRP  12   2.347   1.720   5.840
   77    HE3  TRP  13           HE3      TRP  12   6.400   3.316   2.804
   78    HZ2  TRP  13           HZ2      TRP  12   1.758   4.114   4.391
   79    HZ3  TRP  13           HZ3      TRP  12   5.122   5.277   1.988
   80    HH2  TRP  13           HH2      TRP  12   2.805   5.679   2.774
   81    H    LEU  14           H        LEU  13   4.071  -0.912   2.899
   82    HA   LEU  14           HA       LEU  13   3.539  -2.703   5.102
   83    HB2  LEU  14           HB2      LEU  13   1.947  -1.267   3.071
   84    HB3  LEU  14           HB3      LEU  13   1.286  -2.817   3.605
   85    HG   LEU  14           HG       LEU  13   2.238  -0.697   5.548
   86   HD11  LEU  14          HD11      LEU  13  -0.186  -0.163   5.840
   87   HD12  LEU  14          HD12      LEU  13  -0.550  -1.199   4.459
   88   HD13  LEU  14          HD13      LEU  13   0.410   0.262   4.235
   89   HD21  LEU  14          HD21      LEU  13   0.592  -3.233   5.737
   90   HD22  LEU  14          HD22      LEU  13   0.623  -2.031   7.027
   91   HD23  LEU  14          HD23      LEU  13   2.103  -2.866   6.566
   92    HA   PRO  15           HA       PRO  14   4.971  -6.282   2.711
   93    HB2  PRO  15           HB2      PRO  14   3.288  -7.652   4.778
   94    HB3  PRO  15           HB3      PRO  14   4.936  -8.035   4.232
   95    HG2  PRO  15           HG2      PRO  14   4.569  -6.838   6.539
   96    HG3  PRO  15           HG3      PRO  14   5.879  -6.313   5.464
   97    HD2  PRO  15           HD2      PRO  14   3.234  -4.998   5.988
   98    HD3  PRO  15           HD3      PRO  14   4.832  -4.260   5.722
   99    H    GLY  16           H        GLY  15   1.623  -5.975   3.846
  100    HA2  GLY  16           HA2      GLY  15   0.438  -7.828   2.091
  101    HA3  GLY  16           HA3      GLY  15  -0.395  -6.489   2.873
  102    H    CYS  17           H        CYS  16   1.117  -4.372   1.734
  103    HA   CYS  17           HA       CYS  16  -0.323  -3.901  -0.622
  104    HB2  CYS  17           HB2      CYS  16   1.999  -2.612   0.732
  105    HB3  CYS  17           HB3      CYS  16   1.665  -2.164  -0.938
  106    HN1  NH2  18           HN1      NH2 102  -0.016  -4.716  -2.670
  107    HN2  NH2  18           HN2      NH2 102   1.452  -5.333  -3.271
  Start of MODEL    7
    1    H1   ACE   1           H1       ACE 101 -10.678  -6.980   2.077
    2    H2   ACE   1           H2       ACE 101  -9.797  -6.504   3.529
    3    H3   ACE   1           H3       ACE 101  -9.522  -8.092   2.811
    4    H    GLY   2           H1       GLY   1  -7.327  -7.829   2.421
    5    HA2  GLY   2           HA2      GLY   1  -5.577  -7.384   0.951
    6    HA3  GLY   2           HA3      GLY   1  -6.633  -6.285   0.066
    7    H    CYS   3           H        CYS   2  -4.408  -5.116   0.186
    8    HA   CYS   3           HA       CYS   2  -3.633  -3.907   2.637
    9    HB2  CYS   3           HB2      CYS   2  -2.434  -4.171   0.231
   10    HB3  CYS   3           HB3      CYS   2  -2.986  -2.498   0.114
   11    HA   PRO   4           HA       PRO   3  -6.846  -0.781   2.739
   12    HB2  PRO   4           HB2      PRO   3  -5.704   0.984   4.494
   13    HB3  PRO   4           HB3      PRO   3  -6.464  -0.538   4.993
   14    HG2  PRO   4           HG2      PRO   3  -3.580   0.096   4.597
   15    HG3  PRO   4           HG3      PRO   3  -4.364  -0.845   5.880
   16    HD2  PRO   4           HD2      PRO   3  -3.092  -2.036   3.791
   17    HD3  PRO   4           HD3      PRO   3  -4.516  -2.764   4.571
   18    H    CYS   5           H        CYS   4  -3.591  -0.153   1.753
   19    HA   CYS   5           HA       CYS   4  -4.096   2.589   0.935
   20    HB2  CYS   5           HB2      CYS   4  -1.735   0.756   0.440
   21    HB3  CYS   5           HB3      CYS   4  -1.797   2.465   0.002
   22    H    GLU   6           H        GLU   5  -4.916   3.191  -0.971
   23    HA   GLU   6           HA       GLU   5  -4.720   1.334  -3.248
   24    HB2  GLU   6           HB2      GLU   5  -6.955   1.092  -2.274
   25    HB3  GLU   6           HB3      GLU   5  -7.208   2.830  -2.432
   26    HG2  GLU   6           HG2      GLU   5  -6.991   2.689  -4.850
   27    HG3  GLU   6           HG3      GLU   5  -6.605   0.973  -4.749
   28    HA   PRO   7           HA       PRO   6  -3.842   1.367  -5.175
   29    HB2  PRO   7           HB2      PRO   6  -1.376   2.116  -6.104
   30    HB3  PRO   7           HB3      PRO   6  -2.866   2.298  -7.047
   31    HG2  PRO   7           HG2      PRO   6  -1.403   4.331  -5.434
   32    HG3  PRO   7           HG3      PRO   6  -2.139   4.487  -7.037
   33    HD2  PRO   7           HD2      PRO   6  -3.375   5.421  -4.824
   34    HD3  PRO   7           HD3      PRO   6  -4.291   4.715  -6.175
   35    H    SER   8           H        SER   7  -2.447  -0.180  -4.326
   36    HA   SER   8           HA       SER   7  -1.567   0.200  -1.669
   37    HB2  SER   8           HB2      SER   7  -0.803  -2.066  -1.791
   38    HB3  SER   8           HB3      SER   7  -2.293  -1.965  -2.726
   39    HG   SER   8           HG       SER   7  -1.042  -2.862  -4.183
   40    H    TYR   9           H        TYR   8   0.001   0.737  -4.709
   41    HA   TYR   9           HA       TYR   8   2.684   0.361  -3.945
   42    HB2  TYR   9           HB2      TYR   8   3.167   1.122  -6.015
   43    HB3  TYR   9           HB3      TYR   8   1.419   1.140  -6.263
   44    HD1  TYR   9           HD1      TYR   8   4.415   3.152  -5.687
   45    HD2  TYR   9           HD2      TYR   8   0.135   3.247  -5.986
   46    HE1  TYR   9           HE1      TYR   8   4.486   5.620  -5.938
   47    HE2  TYR   9           HE2      TYR   8   0.198   5.706  -6.237
   48    HH   TYR   9           HH       TYR   8   1.953   7.425  -7.063
   49    H    LEU  10           H        LEU   9   0.406   2.768  -3.034
   50    HA   LEU  10           HA       LEU   9   2.183   4.906  -2.450
   51    HB2  LEU  10           HB2      LEU   9  -0.563   4.193  -1.404
   52    HB3  LEU  10           HB3      LEU   9   0.291   5.670  -0.960
   53    HG   LEU  10           HG       LEU   9  -0.235   4.878  -3.830
   54   HD11  LEU  10          HD11      LEU   9  -2.405   5.190  -2.856
   55   HD12  LEU  10          HD12      LEU   9  -2.016   6.700  -3.679
   56   HD13  LEU  10          HD13      LEU   9  -1.857   6.584  -1.926
   57   HD21  LEU  10          HD21      LEU   9   0.117   7.406  -4.085
   58   HD22  LEU  10          HD22      LEU   9   1.548   6.462  -3.680
   59   HD23  LEU  10          HD23      LEU   9   0.718   7.384  -2.426
   60    H    CYS  11           H        CYS  10   1.475   1.926  -0.841
   61    HA   CYS  11           HA       CYS  10   3.036   2.857   1.498
   62    HB2  CYS  11           HB2      CYS  10   0.798   0.810   1.503
   63    HB3  CYS  11           HB3      CYS  10   1.711   1.372   2.904
   64    HA   PRO  12           HA       PRO  11   5.112  -0.727  -0.663
   65    HB2  PRO  12           HB2      PRO  11   7.633   0.365  -0.486
   66    HB3  PRO  12           HB3      PRO  11   6.534   0.631  -1.855
   67    HG2  PRO  12           HG2      PRO  11   7.104   2.388   0.484
   68    HG3  PRO  12           HG3      PRO  11   6.880   2.814  -1.225
   69    HD2  PRO  12           HD2      PRO  11   4.909   3.153   0.614
   70    HD3  PRO  12           HD3      PRO  11   4.559   2.740  -1.076
   71    H    TRP  13           H        TRP  12   5.609   1.058   2.287
   72    HA   TRP  13           HA       TRP  12   7.438  -0.739   3.525
   73    HB2  TRP  13           HB2      TRP  12   6.742   0.411   5.626
   74    HB3  TRP  13           HB3      TRP  12   7.245   1.524   4.354
   75    HD1  TRP  13           HD1      TRP  12   4.102   0.180   6.088
   76    HE1  TRP  13           HE1      TRP  12   2.173   1.846   5.698
   77    HE3  TRP  13           HE3      TRP  12   6.379   3.429   2.872
   78    HZ2  TRP  13           HZ2      TRP  12   1.667   4.245   4.225
   79    HZ3  TRP  13           HZ3      TRP  12   5.154   5.400   2.000
   80    HH2  TRP  13           HH2      TRP  12   2.803   5.812   2.670
   81    H    LEU  14           H        LEU  13   4.094  -0.964   2.837
   82    HA   LEU  14           HA       LEU  13   3.558  -2.790   5.040
   83    HB2  LEU  14           HB2      LEU  13   1.938  -1.325   3.048
   84    HB3  LEU  14           HB3      LEU  13   1.301  -2.889   3.568
   85    HG   LEU  14           HG       LEU  13   2.228  -0.758   5.511
   86   HD11  LEU  14          HD11      LEU  13   0.368   0.184   4.277
   87   HD12  LEU  14          HD12      LEU  13  -0.234  -0.350   5.847
   88   HD13  LEU  14          HD13      LEU  13  -0.540  -1.323   4.408
   89   HD21  LEU  14          HD21      LEU  13   0.688  -3.357   5.718
   90   HD22  LEU  14          HD22      LEU  13   0.646  -2.146   7.000
   91   HD23  LEU  14          HD23      LEU  13   2.173  -2.906   6.555
   92    HA   PRO  15           HA       PRO  14   5.039  -6.206   2.409
   93    HB2  PRO  15           HB2      PRO  14   3.528  -7.732   4.502
   94    HB3  PRO  15           HB3      PRO  14   5.159  -8.018   3.854
   95    HG2  PRO  15           HG2      PRO  14   4.873  -6.940   6.230
   96    HG3  PRO  15           HG3      PRO  14   6.095  -6.306   5.111
   97    HD2  PRO  15           HD2      PRO  14   3.414  -5.147   5.824
   98    HD3  PRO  15           HD3      PRO  14   4.961  -4.314   5.538
   99    H    GLY  16           H        GLY  15   1.763  -6.055   3.748
  100    HA2  GLY  16           HA2      GLY  15   0.525  -7.861   1.982
  101    HA3  GLY  16           HA3      GLY  15  -0.295  -6.588   2.880
  102    H    CYS  17           H        CYS  16   1.084  -4.373   1.760
  103    HA   CYS  17           HA       CYS  16  -0.491  -3.844  -0.500
  104    HB2  CYS  17           HB2      CYS  16   1.845  -2.528   0.807
  105    HB3  CYS  17           HB3      CYS  16   1.417  -2.020  -0.825
  106    HN1  NH2  18           HN1      NH2 102  -0.255  -4.557  -2.596
  107    HN2  NH2  18           HN2      NH2 102   1.207  -5.081  -3.296
  Start of MODEL    8
    1    H1   ACE   1           H1       ACE 101  -7.493  -9.151   3.598
    2    H2   ACE   1           H2       ACE 101  -6.025  -9.116   4.576
    3    H3   ACE   1           H3       ACE 101  -6.188 -10.290   3.270
    4    H    GLY   2           H1       GLY   1  -7.604  -7.778   1.917
    5    HA2  GLY   2           HA2      GLY   1  -5.424  -7.103   0.228
    6    HA3  GLY   2           HA3      GLY   1  -6.987  -6.288   0.273
    7    H    CYS   3           H        CYS   2  -4.310  -5.093   0.027
    8    HA   CYS   3           HA       CYS   2  -3.573  -3.941   2.517
    9    HB2  CYS   3           HB2      CYS   2  -2.356  -4.124   0.108
   10    HB3  CYS   3           HB3      CYS   2  -2.914  -2.449   0.057
   11    HA   PRO   4           HA       PRO   3  -6.820  -0.850   2.723
   12    HB2  PRO   4           HB2      PRO   3  -5.631   0.896   4.480
   13    HB3  PRO   4           HB3      PRO   3  -6.416  -0.615   4.971
   14    HG2  PRO   4           HG2      PRO   3  -3.522  -0.030   4.560
   15    HG3  PRO   4           HG3      PRO   3  -4.313  -0.976   5.837
   16    HD2  PRO   4           HD2      PRO   3  -3.078  -2.172   3.740
   17    HD3  PRO   4           HD3      PRO   3  -4.533  -2.866   4.495
   18    H    CYS   5           H        CYS   4  -3.565  -0.162   1.740
   19    HA   CYS   5           HA       CYS   4  -4.115   2.582   0.964
   20    HB2  CYS   5           HB2      CYS   4  -1.741   0.770   0.467
   21    HB3  CYS   5           HB3      CYS   4  -1.818   2.469  -0.006
   22    H    GLU   6           H        GLU   5  -4.918   3.220  -0.951
   23    HA   GLU   6           HA       GLU   5  -4.715   1.382  -3.243
   24    HB2  GLU   6           HB2      GLU   5  -6.956   1.128  -2.269
   25    HB3  GLU   6           HB3      GLU   5  -7.219   2.865  -2.444
   26    HG2  GLU   6           HG2      GLU   5  -6.935   2.704  -4.862
   27    HG3  GLU   6           HG3      GLU   5  -6.577   0.983  -4.729
   28    HA   PRO   7           HA       PRO   6  -3.838   1.436  -5.185
   29    HB2  PRO   7           HB2      PRO   6  -1.354   2.207  -6.067
   30    HB3  PRO   7           HB3      PRO   6  -2.831   2.398  -7.024
   31    HG2  PRO   7           HG2      PRO   6  -1.401   4.416  -5.366
   32    HG3  PRO   7           HG3      PRO   6  -2.117   4.582  -6.975
   33    HD2  PRO   7           HD2      PRO   6  -3.386   5.488  -4.776
   34    HD3  PRO   7           HD3      PRO   6  -4.277   4.784  -6.146
   35    H    SER   8           H        SER   7  -2.422  -0.119  -4.346
   36    HA   SER   8           HA       SER   7  -1.572   0.252  -1.669
   37    HB2  SER   8           HB2      SER   7  -0.829  -2.021  -1.779
   38    HB3  SER   8           HB3      SER   7  -2.283  -1.923  -2.766
   39    HG   SER   8           HG       SER   7  -0.675  -3.010  -3.896
   40    H    TYR   9           H        TYR   8  -0.019   0.775  -4.719
   41    HA   TYR   9           HA       TYR   8   2.667   0.424  -3.993
   42    HB2  TYR   9           HB2      TYR   8   3.086   1.177  -6.075
   43    HB3  TYR   9           HB3      TYR   8   1.333   1.246  -6.271
   44    HD1  TYR   9           HD1      TYR   8   4.391   3.188  -5.702
   45    HD2  TYR   9           HD2      TYR   8   0.116   3.364  -5.977
   46    HE1  TYR   9           HE1      TYR   8   4.506   5.656  -5.910
   47    HE2  TYR   9           HE2      TYR   8   0.219   5.824  -6.186
   48    HH   TYR   9           HH       TYR   8   2.843   7.619  -5.378
   49    H    LEU  10           H        LEU   9   0.373   2.808  -3.030
   50    HA   LEU  10           HA       LEU   9   2.138   4.947  -2.426
   51    HB2  LEU  10           HB2      LEU   9  -0.593   4.201  -1.368
   52    HB3  LEU  10           HB3      LEU   9   0.266   5.663  -0.883
   53    HG   LEU  10           HG       LEU   9  -0.249   4.966  -3.774
   54   HD11  LEU  10          HD11      LEU   9  -1.911   6.600  -1.838
   55   HD12  LEU  10          HD12      LEU   9  -2.427   5.193  -2.769
   56   HD13  LEU  10          HD13      LEU   9  -2.076   6.712  -3.591
   57   HD21  LEU  10          HD21      LEU   9   0.050   7.515  -3.921
   58   HD22  LEU  10          HD22      LEU   9   1.497   6.576  -3.561
   59   HD23  LEU  10          HD23      LEU   9   0.656   7.429  -2.267
   60    H    CYS  11           H        CYS  10   1.357   1.969  -0.808
   61    HA   CYS  11           HA       CYS  10   3.022   2.826   1.483
   62    HB2  CYS  11           HB2      CYS  10   0.747   0.834   1.552
   63    HB3  CYS  11           HB3      CYS  10   1.684   1.413   2.928
   64    HA   PRO  12           HA       PRO  11   4.934  -0.806  -0.716
   65    HB2  PRO  12           HB2      PRO  11   7.487   0.218  -0.644
   66    HB3  PRO  12           HB3      PRO  11   6.342   0.499  -1.969
   67    HG2  PRO  12           HG2      PRO  11   7.083   2.273   0.301
   68    HG3  PRO  12           HG3      PRO  11   6.739   2.679  -1.392
   69    HD2  PRO  12           HD2      PRO  11   4.920   3.059   0.617
   70    HD3  PRO  12           HD3      PRO  11   4.451   2.719  -1.059
   71    H    TRP  13           H        TRP  12   5.714   1.003   2.183
   72    HA   TRP  13           HA       TRP  12   7.501  -0.858   3.350
   73    HB2  TRP  13           HB2      TRP  12   6.949   0.277   5.476
   74    HB3  TRP  13           HB3      TRP  12   7.318   1.429   4.192
   75    HD1  TRP  13           HD1      TRP  12   4.359  -0.055   6.130
   76    HE1  TRP  13           HE1      TRP  12   2.352   1.549   5.918
   77    HE3  TRP  13           HE3      TRP  12   6.277   3.323   2.814
   78    HZ2  TRP  13           HZ2      TRP  12   1.655   3.954   4.531
   79    HZ3  TRP  13           HZ3      TRP  12   4.923   5.262   2.071
   80    HH2  TRP  13           HH2      TRP  12   2.615   5.580   2.923
   81    H    LEU  14           H        LEU  13   4.069  -0.873   2.903
   82    HA   LEU  14           HA       LEU  13   3.552  -2.703   5.064
   83    HB2  LEU  14           HB2      LEU  13   1.969  -1.260   3.045
   84    HB3  LEU  14           HB3      LEU  13   1.321  -2.836   3.520
   85    HG   LEU  14           HG       LEU  13   2.215  -0.764   5.538
   86   HD11  LEU  14          HD11      LEU  13  -0.075  -0.057   5.751
   87   HD12  LEU  14          HD12      LEU  13  -0.627  -1.314   4.644
   88   HD13  LEU  14          HD13      LEU  13   0.328   0.038   4.036
   89   HD21  LEU  14          HD21      LEU  13   0.597  -2.159   6.953
   90   HD22  LEU  14          HD22      LEU  13   2.093  -2.965   6.486
   91   HD23  LEU  14          HD23      LEU  13   0.596  -3.322   5.628
   92    HA   PRO  15           HA       PRO  14   5.016  -6.254   2.650
   93    HB2  PRO  15           HB2      PRO  14   3.392  -7.694   4.708
   94    HB3  PRO  15           HB3      PRO  14   5.058  -7.996   4.172
   95    HG2  PRO  15           HG2      PRO  14   4.587  -6.841   6.497
   96    HG3  PRO  15           HG3      PRO  14   5.923  -6.291   5.467
   97    HD2  PRO  15           HD2      PRO  14   3.254  -5.000   5.940
   98    HD3  PRO  15           HD3      PRO  14   4.848  -4.246   5.693
   99    H    GLY  16           H        GLY  15   1.693  -5.995   3.849
  100    HA2  GLY  16           HA2      GLY  15   0.483  -7.834   2.087
  101    HA3  GLY  16           HA3      GLY  15  -0.343  -6.521   2.923
  102    H    CYS  17           H        CYS  16   1.141  -4.371   1.810
  103    HA   CYS  17           HA       CYS  16  -0.344  -3.863  -0.525
  104    HB2  CYS  17           HB2      CYS  16   1.944  -2.542   0.867
  105    HB3  CYS  17           HB3      CYS  16   1.561  -2.039  -0.778
  106    HN1  NH2  18           HN1      NH2 102   0.009  -4.561  -2.609
  107    HN2  NH2  18           HN2      NH2 102   1.499  -5.114  -3.221
  Start of MODEL    9
    1    H1   ACE   1           H1       ACE 101 -10.055  -7.922   1.843
    2    H2   ACE   1           H2       ACE 101  -8.948  -8.728   2.954
    3    H3   ACE   1           H3       ACE 101  -9.589  -9.600   1.562
    4    H    GLY   2           H1       GLY   1  -7.720  -6.664   2.353
    5    HA2  GLY   2           HA2      GLY   1  -5.513  -7.321   0.728
    6    HA3  GLY   2           HA3      GLY   1  -6.582  -6.260  -0.182
    7    H    CYS   3           H        CYS   2  -4.294  -5.130   0.115
    8    HA   CYS   3           HA       CYS   2  -3.700  -3.904   2.563
    9    HB2  CYS   3           HB2      CYS   2  -2.482  -4.034   0.101
   10    HB3  CYS   3           HB3      CYS   2  -2.962  -2.340   0.202
   11    HA   PRO   4           HA       PRO   3  -6.917  -0.796   2.628
   12    HB2  PRO   4           HB2      PRO   3  -5.776   0.955   4.404
   13    HB3  PRO   4           HB3      PRO   3  -6.549  -0.567   4.887
   14    HG2  PRO   4           HG2      PRO   3  -3.661   0.071   4.559
   15    HG3  PRO   4           HG3      PRO   3  -4.471  -0.928   5.778
   16    HD2  PRO   4           HD2      PRO   3  -3.142  -1.968   3.647
   17    HD3  PRO   4           HD3      PRO   3  -4.515  -2.783   4.424
   18    H    CYS   5           H        CYS   4  -3.629  -0.139   1.753
   19    HA   CYS   5           HA       CYS   4  -4.085   2.586   0.896
   20    HB2  CYS   5           HB2      CYS   4  -1.774   0.674   0.464
   21    HB3  CYS   5           HB3      CYS   4  -1.772   2.365  -0.037
   22    H    GLU   6           H        GLU   5  -4.895   3.217  -0.976
   23    HA   GLU   6           HA       GLU   5  -4.707   1.392  -3.256
   24    HB2  GLU   6           HB2      GLU   5  -7.228   2.782  -2.382
   25    HB3  GLU   6           HB3      GLU   5  -7.001   1.923  -3.906
   26    HG2  GLU   6           HG2      GLU   5  -6.463  -0.144  -2.722
   27    HG3  GLU   6           HG3      GLU   5  -6.609   0.687  -1.174
   28    HA   PRO   7           HA       PRO   6  -3.857   1.439  -5.144
   29    HB2  PRO   7           HB2      PRO   6  -1.370   2.145  -6.021
   30    HB3  PRO   7           HB3      PRO   6  -2.843   2.331  -6.991
   31    HG2  PRO   7           HG2      PRO   6  -1.399   4.373  -5.374
   32    HG3  PRO   7           HG3      PRO   6  -2.099   4.514  -6.991
   33    HD2  PRO   7           HD2      PRO   6  -3.356   5.489  -4.807
   34    HD3  PRO   7           HD3      PRO   6  -4.266   4.784  -6.165
   35    H    SER   8           H        SER   7  -2.417  -0.115  -4.281
   36    HA   SER   8           HA       SER   7  -1.599   0.348  -1.592
   37    HB2  SER   8           HB2      SER   7  -0.936  -1.941  -1.574
   38    HB3  SER   8           HB3      SER   7  -2.369  -1.856  -2.594
   39    HG   SER   8           HG       SER   7  -1.101  -2.007  -4.379
   40    H    TYR   9           H        TYR   8  -0.063   0.718  -4.652
   41    HA   TYR   9           HA       TYR   8   2.624   0.335  -3.969
   42    HB2  TYR   9           HB2      TYR   8   2.998   1.039  -6.078
   43    HB3  TYR   9           HB3      TYR   8   1.243   1.150  -6.227
   44    HD1  TYR   9           HD1      TYR   8   4.358   3.019  -5.808
   45    HD2  TYR   9           HD2      TYR   8   0.094   3.296  -5.889
   46    HE1  TYR   9           HE1      TYR   8   4.525   5.480  -6.043
   47    HE2  TYR   9           HE2      TYR   8   0.235   5.749  -6.127
   48    HH   TYR   9           HH       TYR   8   1.714   7.547  -5.818
   49    H    LEU  10           H        LEU   9   0.382   2.751  -2.996
   50    HA   LEU  10           HA       LEU   9   2.179   4.878  -2.483
   51    HB2  LEU  10           HB2      LEU   9  -0.553   4.170  -1.413
   52    HB3  LEU  10           HB3      LEU   9   0.313   5.623  -0.916
   53    HG   LEU  10           HG       LEU   9  -0.213   4.936  -3.813
   54   HD11  LEU  10          HD11      LEU   9  -2.032   6.654  -3.664
   55   HD12  LEU  10          HD12      LEU   9  -1.813   6.681  -1.914
   56   HD13  LEU  10          HD13      LEU   9  -2.376   5.211  -2.709
   57   HD21  LEU  10          HD21      LEU   9   0.741   7.386  -2.315
   58   HD22  LEU  10          HD22      LEU   9   0.139   7.478  -3.969
   59   HD23  LEU  10          HD23      LEU   9   1.569   6.514  -3.603
   60    H    CYS  11           H        CYS  10   1.339   1.962  -0.777
   61    HA   CYS  11           HA       CYS  10   3.047   2.841   1.476
   62    HB2  CYS  11           HB2      CYS  10   0.821   0.802   1.590
   63    HB3  CYS  11           HB3      CYS  10   1.731   1.462   2.946
   64    HA   PRO  12           HA       PRO  11   5.023  -0.783  -0.700
   65    HB2  PRO  12           HB2      PRO  11   7.556   0.269  -0.604
   66    HB3  PRO  12           HB3      PRO  11   6.416   0.574  -1.931
   67    HG2  PRO  12           HG2      PRO  11   7.083   2.284   0.418
   68    HG3  PRO  12           HG3      PRO  11   6.835   2.742  -1.276
   69    HD2  PRO  12           HD2      PRO  11   4.914   3.098   0.599
   70    HD3  PRO  12           HD3      PRO  11   4.519   2.713  -1.090
   71    H    TRP  13           H        TRP  12   5.656   1.006   2.232
   72    HA   TRP  13           HA       TRP  12   7.507  -0.802   3.414
   73    HB2  TRP  13           HB2      TRP  12   6.889   0.365   5.527
   74    HB3  TRP  13           HB3      TRP  12   7.321   1.476   4.226
   75    HD1  TRP  13           HD1      TRP  12   4.259   0.068   6.056
   76    HE1  TRP  13           HE1      TRP  12   2.293   1.704   5.741
   77    HE3  TRP  13           HE3      TRP  12   6.387   3.391   2.818
   78    HZ2  TRP  13           HZ2      TRP  12   1.705   4.115   4.315
   79    HZ3  TRP  13           HZ3      TRP  12   5.105   5.350   2.004
   80    HH2  TRP  13           HH2      TRP  12   2.767   5.714   2.746
   81    H    LEU  14           H        LEU  13   4.131  -0.971   2.841
   82    HA   LEU  14           HA       LEU  13   3.633  -2.755   5.049
   83    HB2  LEU  14           HB2      LEU  13   1.989  -1.319   3.075
   84    HB3  LEU  14           HB3      LEU  13   1.371  -2.895   3.580
   85    HG   LEU  14           HG       LEU  13   2.309  -0.798   5.553
   86   HD11  LEU  14          HD11      LEU  13   0.388   0.013   4.158
   87   HD12  LEU  14          HD12      LEU  13  -0.018  -0.184   5.864
   88   HD13  LEU  14          HD13      LEU  13  -0.533  -1.395   4.690
   89   HD21  LEU  14          HD21      LEU  13   0.768  -3.401   5.731
   90   HD22  LEU  14          HD22      LEU  13   0.733  -2.210   7.031
   91   HD23  LEU  14          HD23      LEU  13   2.256  -2.963   6.569
   92    HA   PRO  15           HA       PRO  14   5.091  -6.254   2.555
   93    HB2  PRO  15           HB2      PRO  14   3.498  -7.675   4.658
   94    HB3  PRO  15           HB3      PRO  14   5.145  -8.003   4.082
   95    HG2  PRO  15           HG2      PRO  14   4.754  -6.810   6.402
   96    HG3  PRO  15           HG3      PRO  14   6.061  -6.282   5.329
   97    HD2  PRO  15           HD2      PRO  14   3.431  -4.983   5.886
   98    HD3  PRO  15           HD3      PRO  14   5.017  -4.247   5.559
   99    H    GLY  16           H        GLY  15   1.770  -6.074   3.816
  100    HA2  GLY  16           HA2      GLY  15   0.593  -7.887   1.996
  101    HA3  GLY  16           HA3      GLY  15  -0.265  -6.637   2.894
  102    H    CYS  17           H        CYS  16   1.131  -4.393   1.858
  103    HA   CYS  17           HA       CYS  16  -0.396  -3.833  -0.428
  104    HB2  CYS  17           HB2      CYS  16   1.919  -2.515   0.933
  105    HB3  CYS  17           HB3      CYS  16   1.443  -1.956  -0.667
  106    HN1  NH2  18           HN1      NH2 102  -0.094  -4.514  -2.525
  107    HN2  NH2  18           HN2      NH2 102   1.392  -5.002  -3.195
  Start of MODEL   10
    1    H1   ACE   1           H1       ACE 101  -9.767  -6.056   2.889
    2    H2   ACE   1           H2       ACE 101  -8.888  -7.464   3.488
    3    H3   ACE   1           H3       ACE 101  -9.733  -7.545   1.942
    4    H    GLY   2           H1       GLY   1  -7.038  -8.212   2.159
    5    HA2  GLY   2           HA2      GLY   1  -5.002  -7.826   1.162
    6    HA3  GLY   2           HA3      GLY   1  -5.857  -6.714   0.097
    7    H    CYS   3           H        CYS   2  -4.695  -4.858   0.066
    8    HA   CYS   3           HA       CYS   2  -3.585  -3.880   2.598
    9    HB2  CYS   3           HB2      CYS   2  -2.443  -4.060   0.108
   10    HB3  CYS   3           HB3      CYS   2  -2.942  -2.366   0.171
   11    HA   PRO   4           HA       PRO   3  -6.839  -0.809   2.694
   12    HB2  PRO   4           HB2      PRO   3  -5.763   0.963   4.464
   13    HB3  PRO   4           HB3      PRO   3  -6.448  -0.599   4.955
   14    HG2  PRO   4           HG2      PRO   3  -3.596   0.174   4.549
   15    HG3  PRO   4           HG3      PRO   3  -4.329  -0.821   5.824
   16    HD2  PRO   4           HD2      PRO   3  -3.020  -1.911   3.691
   17    HD3  PRO   4           HD3      PRO   3  -4.374  -2.724   4.508
   18    H    CYS   5           H        CYS   4  -3.600  -0.126   1.707
   19    HA   CYS   5           HA       CYS   4  -4.133   2.621   0.928
   20    HB2  CYS   5           HB2      CYS   4  -1.769   0.798   0.417
   21    HB3  CYS   5           HB3      CYS   4  -1.838   2.505  -0.029
   22    H    GLU   6           H        GLU   5  -4.956   3.244  -0.980
   23    HA   GLU   6           HA       GLU   5  -4.761   1.398  -3.268
   24    HB2  GLU   6           HB2      GLU   5  -7.003   1.171  -2.332
   25    HB3  GLU   6           HB3      GLU   5  -7.238   2.917  -2.447
   26    HG2  GLU   6           HG2      GLU   5  -6.985   2.835  -4.873
   27    HG3  GLU   6           HG3      GLU   5  -6.630   1.111  -4.804
   28    HA   PRO   7           HA       PRO   6  -3.863   1.424  -5.181
   29    HB2  PRO   7           HB2      PRO   6  -1.385   2.148  -6.109
   30    HB3  PRO   7           HB3      PRO   6  -2.872   2.345  -7.051
   31    HG2  PRO   7           HG2      PRO   6  -1.396   4.365  -5.434
   32    HG3  PRO   7           HG3      PRO   6  -2.122   4.525  -7.040
   33    HD2  PRO   7           HD2      PRO   6  -3.359   5.477  -4.835
   34    HD3  PRO   7           HD3      PRO   6  -4.278   4.775  -6.189
   35    H    SER   8           H        SER   7  -2.478  -0.132  -4.303
   36    HA   SER   8           HA       SER   7  -1.608   0.294  -1.644
   37    HB2  SER   8           HB2      SER   7  -0.893  -1.990  -1.697
   38    HB3  SER   8           HB3      SER   7  -2.356  -1.895  -2.670
   39    HG   SER   8           HG       SER   7  -1.209  -2.188  -4.449
   40    H    TYR   9           H        TYR   8  -0.036   0.742  -4.693
   41    HA   TYR   9           HA       TYR   8   2.638   0.346  -3.937
   42    HB2  TYR   9           HB2      TYR   8   3.118   1.083  -6.013
   43    HB3  TYR   9           HB3      TYR   8   1.370   1.122  -6.251
   44    HD1  TYR   9           HD1      TYR   8   4.392   3.108  -5.728
   45    HD2  TYR   9           HD2      TYR   8   0.115   3.243  -5.967
   46    HE1  TYR   9           HE1      TYR   8   4.484   5.572  -5.997
   47    HE2  TYR   9           HE2      TYR   8   0.195   5.697  -6.239
   48    HH   TYR   9           HH       TYR   8   1.679   7.546  -5.770
   49    H    LEU  10           H        LEU   9   0.391   2.786  -3.026
   50    HA   LEU  10           HA       LEU   9   2.188   4.906  -2.462
   51    HB2  LEU  10           HB2      LEU   9  -0.557   4.222  -1.396
   52    HB3  LEU  10           HB3      LEU   9   0.316   5.693  -0.963
   53    HG   LEU  10           HG       LEU   9  -0.231   4.894  -3.823
   54   HD11  LEU  10          HD11      LEU   9  -1.994   6.743  -3.660
   55   HD12  LEU  10          HD12      LEU   9  -1.843   6.596  -1.908
   56   HD13  LEU  10          HD13      LEU   9  -2.397   5.221  -2.866
   57   HD21  LEU  10          HD21      LEU   9   0.749   7.396  -2.431
   58   HD22  LEU  10          HD22      LEU   9   0.135   7.423  -4.084
   59   HD23  LEU  10          HD23      LEU   9   1.562   6.467  -3.689
   60    H    CYS  11           H        CYS  10   1.394   1.955  -0.819
   61    HA   CYS  11           HA       CYS  10   3.016   2.846   1.495
   62    HB2  CYS  11           HB2      CYS  10   0.751   0.835   1.540
   63    HB3  CYS  11           HB3      CYS  10   1.665   1.428   2.927
   64    HA   PRO  12           HA       PRO  11   4.977  -0.795  -0.679
   65    HB2  PRO  12           HB2      PRO  11   7.515   0.251  -0.619
   66    HB3  PRO  12           HB3      PRO  11   6.360   0.545  -1.936
   67    HG2  PRO  12           HG2      PRO  11   7.069   2.282   0.380
   68    HG3  PRO  12           HG3      PRO  11   6.786   2.719  -1.317
   69    HD2  PRO  12           HD2      PRO  11   4.900   3.089   0.607
   70    HD3  PRO  12           HD3      PRO  11   4.477   2.710  -1.072
   71    H    TRP  13           H        TRP  12   5.606   1.018   2.228
   72    HA   TRP  13           HA       TRP  12   7.453  -0.783   3.422
   73    HB2  TRP  13           HB2      TRP  12   6.802   0.354   5.546
   74    HB3  TRP  13           HB3      TRP  12   7.277   1.475   4.270
   75    HD1  TRP  13           HD1      TRP  12   4.161   0.103   6.042
   76    HE1  TRP  13           HE1      TRP  12   2.225   1.770   5.698
   77    HE3  TRP  13           HE3      TRP  12   6.389   3.392   2.835
   78    HZ2  TRP  13           HZ2      TRP  12   1.694   4.186   4.259
   79    HZ3  TRP  13           HZ3      TRP  12   5.149   5.368   1.997
   80    HH2  TRP  13           HH2      TRP  12   2.805   5.769   2.704
   81    H    LEU  14           H        LEU  13   4.064  -0.962   2.856
   82    HA   LEU  14           HA       LEU  13   3.585  -2.769   5.065
   83    HB2  LEU  14           HB2      LEU  13   1.937  -1.356   3.060
   84    HB3  LEU  14           HB3      LEU  13   1.325  -2.926   3.591
   85    HG   LEU  14           HG       LEU  13   2.236  -0.782   5.526
   86   HD11  LEU  14          HD11      LEU  13   0.368   0.147   4.298
   87   HD12  LEU  14          HD12      LEU  13  -0.235  -0.397   5.864
   88   HD13  LEU  14          HD13      LEU  13  -0.525  -1.369   4.422
   89   HD21  LEU  14          HD21      LEU  13   0.721  -3.398   5.738
   90   HD22  LEU  14          HD22      LEU  13   0.658  -2.185   7.017
   91   HD23  LEU  14          HD23      LEU  13   2.196  -2.924   6.581
   92    HA   PRO  15           HA       PRO  14   5.075  -6.263   2.573
   93    HB2  PRO  15           HB2      PRO  14   3.472  -7.747   4.624
   94    HB3  PRO  15           HB3      PRO  14   5.128  -8.048   4.056
   95    HG2  PRO  15           HG2      PRO  14   4.714  -6.929   6.403
   96    HG3  PRO  15           HG3      PRO  14   6.017  -6.348   5.348
   97    HD2  PRO  15           HD2      PRO  14   3.349  -5.098   5.910
   98    HD3  PRO  15           HD3      PRO  14   4.929  -4.322   5.645
   99    H    GLY  16           H        GLY  15   1.755  -6.075   3.800
  100    HA2  GLY  16           HA2      GLY  15   0.560  -7.892   2.005
  101    HA3  GLY  16           HA3      GLY  15  -0.281  -6.608   2.873
  102    H    CYS  17           H        CYS  16   1.152  -4.411   1.802
  103    HA   CYS  17           HA       CYS  16  -0.345  -3.872  -0.515
  104    HB2  CYS  17           HB2      CYS  16   1.957  -2.557   0.868
  105    HB3  CYS  17           HB3      CYS  16   1.529  -2.024  -0.754
  106    HN1  NH2  18           HN1      NH2 102   0.023  -4.449  -2.637
  107    HN2  NH2  18           HN2      NH2 102   1.504  -5.014  -3.257
  Start of MODEL   11
    1    H1   ACE   1           H1       ACE 101  -6.717 -10.187   3.400
    2    H2   ACE   1           H2       ACE 101  -7.960  -8.939   3.502
    3    H3   ACE   1           H3       ACE 101  -6.617  -8.942   4.645
    4    H    GLY   2           H1       GLY   1  -7.778  -7.546   1.861
    5    HA2  GLY   2           HA2      GLY   1  -5.369  -7.181   0.363
    6    HA3  GLY   2           HA3      GLY   1  -6.860  -6.259   0.178
    7    H    CYS   3           H        CYS   2  -4.359  -5.019   0.011
    8    HA   CYS   3           HA       CYS   2  -3.566  -3.905   2.506
    9    HB2  CYS   3           HB2      CYS   2  -2.447  -4.014   0.014
   10    HB3  CYS   3           HB3      CYS   2  -2.959  -2.326   0.105
   11    HA   PRO   4           HA       PRO   3  -6.797  -0.807   2.777
   12    HB2  PRO   4           HB2      PRO   3  -5.635   0.898   4.569
   13    HB3  PRO   4           HB3      PRO   3  -6.357  -0.655   5.032
   14    HG2  PRO   4           HG2      PRO   3  -3.492   0.042   4.583
   15    HG3  PRO   4           HG3      PRO   3  -4.227  -0.959   5.852
   16    HD2  PRO   4           HD2      PRO   3  -2.998  -2.049   3.685
   17    HD3  PRO   4           HD3      PRO   3  -4.385  -2.824   4.485
   18    H    CYS   5           H        CYS   4  -3.615  -0.197   1.635
   19    HA   CYS   5           HA       CYS   4  -4.138   2.592   0.934
   20    HB2  CYS   5           HB2      CYS   4  -1.755   0.792   0.444
   21    HB3  CYS   5           HB3      CYS   4  -1.831   2.497  -0.001
   22    H    GLU   6           H        GLU   5  -4.931   3.234  -0.965
   23    HA   GLU   6           HA       GLU   5  -4.718   1.408  -3.259
   24    HB2  GLU   6           HB2      GLU   5  -7.211   2.853  -2.367
   25    HB3  GLU   6           HB3      GLU   5  -7.037   1.951  -3.873
   26    HG2  GLU   6           HG2      GLU   5  -6.456  -0.083  -2.572
   27    HG3  GLU   6           HG3      GLU   5  -6.695   0.827  -1.081
   28    HA   PRO   7           HA       PRO   6  -3.844   1.438  -5.198
   29    HB2  PRO   7           HB2      PRO   6  -1.349   2.187  -6.084
   30    HB3  PRO   7           HB3      PRO   6  -2.824   2.333  -7.053
   31    HG2  PRO   7           HG2      PRO   6  -1.392   4.416  -5.491
   32    HG3  PRO   7           HG3      PRO   6  -2.166   4.527  -7.076
   33    HD2  PRO   7           HD2      PRO   6  -3.352   5.487  -4.835
   34    HD3  PRO   7           HD3      PRO   6  -4.289   4.791  -6.176
   35    H    SER   8           H        SER   7  -2.438  -0.117  -4.361
   36    HA   SER   8           HA       SER   7  -1.595   0.242  -1.681
   37    HB2  SER   8           HB2      SER   7  -0.807  -2.032  -1.820
   38    HB3  SER   8           HB3      SER   7  -2.313  -1.930  -2.726
   39    HG   SER   8           HG       SER   7   0.335  -1.858  -3.749
   40    H    TYR   9           H        TYR   8  -0.016   0.767  -4.717
   41    HA   TYR   9           HA       TYR   8   2.662   0.409  -3.948
   42    HB2  TYR   9           HB2      TYR   8   3.125   1.147  -6.025
   43    HB3  TYR   9           HB3      TYR   8   1.375   1.197  -6.258
   44    HD1  TYR   9           HD1      TYR   8   4.404   3.172  -5.650
   45    HD2  TYR   9           HD2      TYR   8   0.137   3.316  -6.037
   46    HE1  TYR   9           HE1      TYR   8   4.510   5.635  -5.904
   47    HE2  TYR   9           HE2      TYR   8   0.231   5.771  -6.292
   48    HH   TYR   9           HH       TYR   8   2.078   7.462  -7.116
   49    H    LEU  10           H        LEU   9   0.363   2.790  -3.008
   50    HA   LEU  10           HA       LEU   9   2.128   4.935  -2.428
   51    HB2  LEU  10           HB2      LEU   9  -0.601   4.208  -1.349
   52    HB3  LEU  10           HB3      LEU   9   0.248   5.695  -0.934
   53    HG   LEU  10           HG       LEU   9  -0.340   4.861  -3.778
   54   HD11  LEU  10          HD11      LEU   9  -2.479   5.207  -2.759
   55   HD12  LEU  10          HD12      LEU   9  -2.098   6.705  -3.607
   56   HD13  LEU  10          HD13      LEU   9  -1.896   6.607  -1.858
   57   HD21  LEU  10          HD21      LEU   9   0.023   7.386  -4.085
   58   HD22  LEU  10          HD22      LEU   9   1.457   6.432  -3.716
   59   HD23  LEU  10          HD23      LEU   9   0.680   7.381  -2.448
   60    H    CYS  11           H        CYS  10   1.371   1.959  -0.814
   61    HA   CYS  11           HA       CYS  10   2.990   2.839   1.505
   62    HB2  CYS  11           HB2      CYS  10   0.723   0.827   1.521
   63    HB3  CYS  11           HB3      CYS  10   1.654   1.373   2.917
   64    HA   PRO  12           HA       PRO  11   4.965  -0.766  -0.699
   65    HB2  PRO  12           HB2      PRO  11   7.501   0.298  -0.636
   66    HB3  PRO  12           HB3      PRO  11   6.347   0.568  -1.957
   67    HG2  PRO  12           HG2      PRO  11   7.059   2.341   0.324
   68    HG3  PRO  12           HG3      PRO  11   6.719   2.748  -1.369
   69    HD2  PRO  12           HD2      PRO  11   4.883   3.101   0.623
   70    HD3  PRO  12           HD3      PRO  11   4.429   2.748  -1.053
   71    H    TRP  13           H        TRP  12   5.611   1.023   2.223
   72    HA   TRP  13           HA       TRP  12   7.462  -0.804   3.379
   73    HB2  TRP  13           HB2      TRP  12   6.911   0.344   5.504
   74    HB3  TRP  13           HB3      TRP  12   7.289   1.483   4.210
   75    HD1  TRP  13           HD1      TRP  12   4.325   0.040   6.164
   76    HE1  TRP  13           HE1      TRP  12   2.325   1.649   5.934
   77    HE3  TRP  13           HE3      TRP  12   6.254   3.371   2.808
   78    HZ2  TRP  13           HZ2      TRP  12   1.637   4.038   4.522
   79    HZ3  TRP  13           HZ3      TRP  12   4.906   5.306   2.043
   80    HH2  TRP  13           HH2      TRP  12   2.602   5.643   2.895
   81    H    LEU  14           H        LEU  13   4.080  -0.963   2.826
   82    HA   LEU  14           HA       LEU  13   3.580  -2.740   5.054
   83    HB2  LEU  14           HB2      LEU  13   1.948  -1.343   3.026
   84    HB3  LEU  14           HB3      LEU  13   1.325  -2.899   3.581
   85    HG   LEU  14           HG       LEU  13   2.256  -0.744   5.489
   86   HD11  LEU  14          HD11      LEU  13  -0.089  -0.127   5.772
   87   HD12  LEU  14          HD12      LEU  13  -0.576  -1.335   4.582
   88   HD13  LEU  14          HD13      LEU  13   0.364   0.070   4.078
   89   HD21  LEU  14          HD21      LEU  13   0.651  -2.099   6.989
   90   HD22  LEU  14          HD22      LEU  13   2.177  -2.870   6.569
   91   HD23  LEU  14          HD23      LEU  13   0.698  -3.329   5.726
   92    HA   PRO  15           HA       PRO  14   5.054  -6.268   2.600
   93    HB2  PRO  15           HB2      PRO  14   3.478  -7.711   4.702
   94    HB3  PRO  15           HB3      PRO  14   5.126  -8.023   4.114
   95    HG2  PRO  15           HG2      PRO  14   4.755  -6.859   6.444
   96    HG3  PRO  15           HG3      PRO  14   6.034  -6.291   5.354
   97    HD2  PRO  15           HD2      PRO  14   3.364  -5.050   5.934
   98    HD3  PRO  15           HD3      PRO  14   4.937  -4.268   5.641
   99    H    GLY  16           H        GLY  15   1.742  -6.024   3.843
  100    HA2  GLY  16           HA2      GLY  15   0.523  -7.888   2.115
  101    HA3  GLY  16           HA3      GLY  15  -0.302  -6.569   2.939
  102    H    CYS  17           H        CYS  16   1.135  -4.420   1.786
  103    HA   CYS  17           HA       CYS  16  -0.360  -3.944  -0.544
  104    HB2  CYS  17           HB2      CYS  16   1.981  -2.622   0.769
  105    HB3  CYS  17           HB3      CYS  16   1.549  -2.141  -0.868
  106    HN1  NH2  18           HN1      NH2 102  -0.033  -4.660  -2.630
  107    HN2  NH2  18           HN2      NH2 102   1.438  -5.262  -3.243
  Start of MODEL   12
    1    H1   ACE   1           H1       ACE 101  -8.858  -9.046   2.791
    2    H2   ACE   1           H2       ACE 101  -8.422  -8.022   4.159
    3    H3   ACE   1           H3       ACE 101  -7.674  -9.609   3.971
    4    H    GLY   2           H1       GLY   1  -8.250  -6.947   1.669
    5    HA2  GLY   2           HA2      GLY   1  -5.568  -7.232   0.602
    6    HA3  GLY   2           HA3      GLY   1  -6.818  -6.145   0.009
    7    H    CYS   3           H        CYS   2  -4.546  -4.943   0.013
    8    HA   CYS   3           HA       CYS   2  -3.709  -3.887   2.520
    9    HB2  CYS   3           HB2      CYS   2  -2.659  -3.921  -0.058
   10    HB3  CYS   3           HB3      CYS   2  -3.019  -2.218   0.247
   11    HA   PRO   4           HA       PRO   3  -6.795  -0.657   2.857
   12    HB2  PRO   4           HB2      PRO   3  -5.523   1.020   4.600
   13    HB3  PRO   4           HB3      PRO   3  -6.253  -0.521   5.092
   14    HG2  PRO   4           HG2      PRO   3  -3.401   0.132   4.540
   15    HG3  PRO   4           HG3      PRO   3  -4.106  -0.878   5.817
   16    HD2  PRO   4           HD2      PRO   3  -2.970  -1.921   3.568
   17    HD3  PRO   4           HD3      PRO   3  -4.283  -2.728   4.450
   18    H    CYS   5           H        CYS   4  -3.616  -0.104   1.649
   19    HA   CYS   5           HA       CYS   4  -4.148   2.669   0.913
   20    HB2  CYS   5           HB2      CYS   4  -1.764   0.863   0.395
   21    HB3  CYS   5           HB3      CYS   4  -1.850   2.575  -0.036
   22    H    GLU   6           H        GLU   5  -4.909   3.296  -1.017
   23    HA   GLU   6           HA       GLU   5  -4.743   1.397  -3.246
   24    HB2  GLU   6           HB2      GLU   5  -6.968   1.149  -2.318
   25    HB3  GLU   6           HB3      GLU   5  -7.230   2.892  -2.467
   26    HG2  GLU   6           HG2      GLU   5  -7.018   2.786  -4.875
   27    HG3  GLU   6           HG3      GLU   5  -6.546   1.089  -4.796
   28    HA   PRO   7           HA       PRO   6  -3.871   1.380  -5.166
   29    HB2  PRO   7           HB2      PRO   6  -1.365   2.062  -6.077
   30    HB3  PRO   7           HB3      PRO   6  -2.837   2.225  -7.047
   31    HG2  PRO   7           HG2      PRO   6  -1.368   4.305  -5.505
   32    HG3  PRO   7           HG3      PRO   6  -2.103   4.406  -7.113
   33    HD2  PRO   7           HD2      PRO   6  -3.315   5.429  -4.922
   34    HD3  PRO   7           HD3      PRO   6  -4.241   4.712  -6.257
   35    H    SER   8           H        SER   7  -2.451  -0.169  -4.307
   36    HA   SER   8           HA       SER   7  -1.638   0.275  -1.620
   37    HB2  SER   8           HB2      SER   7  -0.905  -2.004  -1.651
   38    HB3  SER   8           HB3      SER   7  -2.386  -1.920  -2.601
   39    HG   SER   8           HG       SER   7  -0.864  -3.065  -3.762
   40    H    TYR   9           H        TYR   8  -0.043   0.685  -4.657
   41    HA   TYR   9           HA       TYR   8   2.632   0.300  -3.877
   42    HB2  TYR   9           HB2      TYR   8   3.100   0.975  -5.981
   43    HB3  TYR   9           HB3      TYR   8   1.350   1.032  -6.209
   44    HD1  TYR   9           HD1      TYR   8   4.398   2.995  -5.708
   45    HD2  TYR   9           HD2      TYR   8   0.128   3.162  -6.005
   46    HE1  TYR   9           HE1      TYR   8   4.516   5.452  -6.031
   47    HE2  TYR   9           HE2      TYR   8   0.231   5.607  -6.328
   48    HH   TYR   9           HH       TYR   8   3.173   7.392  -5.840
   49    H    LEU  10           H        LEU   9   0.369   2.746  -3.013
   50    HA   LEU  10           HA       LEU   9   2.192   4.870  -2.492
   51    HB2  LEU  10           HB2      LEU   9  -0.580   4.253  -1.461
   52    HB3  LEU  10           HB3      LEU   9   0.305   5.719  -1.038
   53    HG   LEU  10           HG       LEU   9  -0.202   4.869  -3.895
   54   HD11  LEU  10          HD11      LEU   9  -2.372   5.255  -2.928
   55   HD12  LEU  10          HD12      LEU   9  -1.946   6.716  -3.821
   56   HD13  LEU  10          HD13      LEU   9  -1.795   6.680  -2.064
   57   HD21  LEU  10          HD21      LEU   9   0.209   7.386  -4.206
   58   HD22  LEU  10          HD22      LEU   9   1.616   6.421  -3.765
   59   HD23  LEU  10          HD23      LEU   9   0.793   7.389  -2.542
   60    H    CYS  11           H        CYS  10   1.424   1.936  -0.847
   61    HA   CYS  11           HA       CYS  10   2.982   2.866   1.487
   62    HB2  CYS  11           HB2      CYS  10   0.711   0.861   1.478
   63    HB3  CYS  11           HB3      CYS  10   1.632   1.388   2.888
   64    HA   PRO  12           HA       PRO  11   5.041  -0.756  -0.637
   65    HB2  PRO  12           HB2      PRO  11   7.562   0.331  -0.501
   66    HB3  PRO  12           HB3      PRO  11   6.447   0.593  -1.858
   67    HG2  PRO  12           HG2      PRO  11   7.049   2.358   0.470
   68    HG3  PRO  12           HG3      PRO  11   6.812   2.780  -1.239
   69    HD2  PRO  12           HD2      PRO  11   4.865   3.138   0.613
   70    HD3  PRO  12           HD3      PRO  11   4.499   2.723  -1.072
   71    H    TRP  13           H        TRP  12   5.547   1.051   2.290
   72    HA   TRP  13           HA       TRP  12   7.402  -0.715   3.535
   73    HB2  TRP  13           HB2      TRP  12   6.642   0.422   5.640
   74    HB3  TRP  13           HB3      TRP  12   7.185   1.532   4.381
   75    HD1  TRP  13           HD1      TRP  12   3.982   0.167   5.989
   76    HE1  TRP  13           HE1      TRP  12   2.063   1.826   5.534
   77    HE3  TRP  13           HE3      TRP  12   6.381   3.460   2.919
   78    HZ2  TRP  13           HZ2      TRP  12   1.614   4.246   4.077
   79    HZ3  TRP  13           HZ3      TRP  12   5.190   5.441   2.021
   80    HH2  TRP  13           HH2      TRP  12   2.811   5.837   2.595
   81    H    LEU  14           H        LEU  13   4.063  -0.985   2.814
   82    HA   LEU  14           HA       LEU  13   3.543  -2.781   5.031
   83    HB2  LEU  14           HB2      LEU  13   1.916  -1.408   2.985
   84    HB3  LEU  14           HB3      LEU  13   1.317  -2.978   3.537
   85    HG   LEU  14           HG       LEU  13   2.192  -0.801   5.444
   86   HD11  LEU  14          HD11      LEU  13  -0.650  -1.454   4.657
   87   HD12  LEU  14          HD12      LEU  13   0.262  -0.128   3.934
   88   HD13  LEU  14          HD13      LEU  13  -0.088  -0.121   5.662
   89   HD21  LEU  14          HD21      LEU  13   0.680  -3.413   5.693
   90   HD22  LEU  14          HD22      LEU  13   0.603  -2.175   6.947
   91   HD23  LEU  14          HD23      LEU  13   2.145  -2.922   6.543
   92    HA   PRO  15           HA       PRO  14   5.167  -6.226   2.534
   93    HB2  PRO  15           HB2      PRO  14   3.614  -7.737   4.602
   94    HB3  PRO  15           HB3      PRO  14   5.279  -7.988   4.035
   95    HG2  PRO  15           HG2      PRO  14   4.819  -6.850   6.371
   96    HG3  PRO  15           HG3      PRO  14   6.115  -6.252   5.318
   97    HD2  PRO  15           HD2      PRO  14   3.422  -5.067   5.863
   98    HD3  PRO  15           HD3      PRO  14   4.980  -4.254   5.575
   99    H    GLY  16           H        GLY  15   1.838  -6.144   3.751
  100    HA2  GLY  16           HA2      GLY  15   0.724  -8.003   1.945
  101    HA3  GLY  16           HA3      GLY  15  -0.172  -6.768   2.827
  102    H    CYS  17           H        CYS  16   1.163  -4.505   1.764
  103    HA   CYS  17           HA       CYS  16  -0.374  -3.985  -0.516
  104    HB2  CYS  17           HB2      CYS  16   1.970  -2.630   0.773
  105    HB3  CYS  17           HB3      CYS  16   1.418  -2.087  -0.804
  106    HN1  NH2  18           HN1      NH2 102  -0.062  -4.543  -2.642
  107    HN2  NH2  18           HN2      NH2 102   1.405  -5.093  -3.310
  Start of MODEL   13
    1    H1   ACE   1           H1       ACE 101  -7.671  -8.983   3.883
    2    H2   ACE   1           H2       ACE 101  -9.208  -8.945   3.018
    3    H3   ACE   1           H3       ACE 101  -8.897  -7.791   4.315
    4    H    GLY   2           H1       GLY   1  -6.167  -8.432   2.412
    5    HA2  GLY   2           HA2      GLY   1  -5.203  -7.359   0.576
    6    HA3  GLY   2           HA3      GLY   1  -6.678  -6.416   0.385
    7    H    CYS   3           H        CYS   2  -4.552  -4.928   0.058
    8    HA   CYS   3           HA       CYS   2  -3.603  -3.880   2.586
    9    HB2  CYS   3           HB2      CYS   2  -2.441  -4.067   0.134
   10    HB3  CYS   3           HB3      CYS   2  -2.970  -2.384   0.137
   11    HA   PRO   4           HA       PRO   3  -6.838  -0.777   2.726
   12    HB2  PRO   4           HB2      PRO   3  -5.680   0.979   4.493
   13    HB3  PRO   4           HB3      PRO   3  -6.474  -0.532   4.979
   14    HG2  PRO   4           HG2      PRO   3  -3.579   0.069   4.672
   15    HG3  PRO   4           HG3      PRO   3  -4.409  -0.923   5.884
   16    HD2  PRO   4           HD2      PRO   3  -3.070  -2.006   3.753
   17    HD3  PRO   4           HD3      PRO   3  -4.472  -2.790   4.515
   18    H    CYS   5           H        CYS   4  -3.599  -0.164   1.722
   19    HA   CYS   5           HA       CYS   4  -4.090   2.586   0.923
   20    HB2  CYS   5           HB2      CYS   4  -1.755   0.723   0.449
   21    HB3  CYS   5           HB3      CYS   4  -1.796   2.422  -0.033
   22    H    GLU   6           H        GLU   5  -4.890   3.201  -0.993
   23    HA   GLU   6           HA       GLU   5  -4.707   1.339  -3.261
   24    HB2  GLU   6           HB2      GLU   5  -6.935   1.057  -2.334
   25    HB3  GLU   6           HB3      GLU   5  -7.209   2.796  -2.410
   26    HG2  GLU   6           HG2      GLU   5  -6.988   2.772  -4.827
   27    HG3  GLU   6           HG3      GLU   5  -6.567   1.060  -4.809
   28    HA   PRO   7           HA       PRO   6  -3.821   1.380  -5.185
   29    HB2  PRO   7           HB2      PRO   6  -1.336   2.129  -6.080
   30    HB3  PRO   7           HB3      PRO   6  -2.814   2.272  -7.051
   31    HG2  PRO   7           HG2      PRO   6  -1.380   4.366  -5.494
   32    HG3  PRO   7           HG3      PRO   6  -2.158   4.469  -7.081
   33    HD2  PRO   7           HD2      PRO   6  -3.344   5.425  -4.837
   34    HD3  PRO   7           HD3      PRO   6  -4.278   4.732  -6.181
   35    H    SER   8           H        SER   7  -2.414  -0.162  -4.326
   36    HA   SER   8           HA       SER   7  -1.590   0.241  -1.650
   37    HB2  SER   8           HB2      SER   7  -0.828  -2.037  -1.740
   38    HB3  SER   8           HB3      SER   7  -2.310  -1.939  -2.686
   39    HG   SER   8           HG       SER   7  -1.209  -2.439  -4.396
   40    H    TYR   9           H        TYR   8   0.005   0.725  -4.683
   41    HA   TYR   9           HA       TYR   8   2.680   0.365  -3.904
   42    HB2  TYR   9           HB2      TYR   8   3.151   1.085  -5.987
   43    HB3  TYR   9           HB3      TYR   8   1.403   1.120  -6.224
   44    HD1  TYR   9           HD1      TYR   8   4.418   3.118  -5.689
   45    HD2  TYR   9           HD2      TYR   8   0.144   3.237  -5.964
   46    HE1  TYR   9           HE1      TYR   8   4.503   5.580  -5.968
   47    HE2  TYR   9           HE2      TYR   8   0.216   5.690  -6.244
   48    HH   TYR   9           HH       TYR   8   2.335   7.563  -5.406
   49    H    LEU  10           H        LEU   9   0.387   2.755  -2.991
   50    HA   LEU  10           HA       LEU   9   2.139   4.917  -2.445
   51    HB2  LEU  10           HB2      LEU   9  -0.571   4.169  -1.331
   52    HB3  LEU  10           HB3      LEU   9   0.270   5.664  -0.926
   53    HG   LEU  10           HG       LEU   9  -0.335   4.821  -3.766
   54   HD11  LEU  10          HD11      LEU   9  -2.467   5.141  -2.720
   55   HD12  LEU  10          HD12      LEU   9  -2.116   6.636  -3.585
   56   HD13  LEU  10          HD13      LEU   9  -1.894   6.556  -1.837
   57   HD21  LEU  10          HD21      LEU   9   1.442   6.415  -3.724
   58   HD22  LEU  10          HD22      LEU   9   0.670   7.354  -2.446
   59   HD23  LEU  10          HD23      LEU   9  -0.008   7.355  -4.073
   60    H    CYS  11           H        CYS  10   1.359   1.974  -0.767
   61    HA   CYS  11           HA       CYS  10   3.034   2.865   1.507
   62    HB2  CYS  11           HB2      CYS  10   0.791   0.835   1.604
   63    HB3  CYS  11           HB3      CYS  10   1.701   1.483   2.969
   64    HA   PRO  12           HA       PRO  11   4.968  -0.793  -0.671
   65    HB2  PRO  12           HB2      PRO  11   7.508   0.237  -0.642
   66    HB3  PRO  12           HB3      PRO  11   6.341   0.551  -1.943
   67    HG2  PRO  12           HG2      PRO  11   7.081   2.262   0.386
   68    HG3  PRO  12           HG3      PRO  11   6.801   2.714  -1.306
   69    HD2  PRO  12           HD2      PRO  11   4.920   3.093   0.616
   70    HD3  PRO  12           HD3      PRO  11   4.491   2.718  -1.062
   71    H    TRP  13           H        TRP  12   5.604   1.018   2.229
   72    HA   TRP  13           HA       TRP  12   7.458  -0.778   3.426
   73    HB2  TRP  13           HB2      TRP  12   6.781   0.365   5.551
   74    HB3  TRP  13           HB3      TRP  12   7.296   1.474   4.281
   75    HD1  TRP  13           HD1      TRP  12   4.121   0.138   5.979
   76    HE1  TRP  13           HE1      TRP  12   2.213   1.830   5.592
   77    HE3  TRP  13           HE3      TRP  12   6.472   3.414   2.851
   78    HZ2  TRP  13           HZ2      TRP  12   1.750   4.258   4.150
   79    HZ3  TRP  13           HZ3      TRP  12   5.281   5.410   1.992
   80    HH2  TRP  13           HH2      TRP  12   2.923   5.836   2.635
   81    H    LEU  14           H        LEU  13   4.075  -0.946   2.845
   82    HA   LEU  14           HA       LEU  13   3.597  -2.763   5.044
   83    HB2  LEU  14           HB2      LEU  13   1.944  -1.315   3.084
   84    HB3  LEU  14           HB3      LEU  13   1.323  -2.887   3.595
   85    HG   LEU  14           HG       LEU  13   2.283  -0.793   5.557
   86   HD11  LEU  14          HD11      LEU  13  -0.558  -1.347   4.649
   87   HD12  LEU  14          HD12      LEU  13   0.384   0.075   4.201
   88   HD13  LEU  14          HD13      LEU  13  -0.064  -0.189   5.885
   89   HD21  LEU  14          HD21      LEU  13   2.208  -2.951   6.571
   90   HD22  LEU  14          HD22      LEU  13   0.715  -3.378   5.735
   91   HD23  LEU  14          HD23      LEU  13   0.690  -2.185   7.035
   92    HA   PRO  15           HA       PRO  14   5.050  -6.226   2.481
   93    HB2  PRO  15           HB2      PRO  14   3.498  -7.720   4.566
   94    HB3  PRO  15           HB3      PRO  14   5.136  -8.021   3.949
   95    HG2  PRO  15           HG2      PRO  14   4.803  -6.914   6.312
   96    HG3  PRO  15           HG3      PRO  14   6.067  -6.320   5.218
   97    HD2  PRO  15           HD2      PRO  14   3.405  -5.087   5.865
   98    HD3  PRO  15           HD3      PRO  14   4.972  -4.299   5.568
   99    H    GLY  16           H        GLY  15   1.754  -6.031   3.771
  100    HA2  GLY  16           HA2      GLY  15   0.518  -7.847   2.004
  101    HA3  GLY  16           HA3      GLY  15  -0.300  -6.559   2.882
  102    H    CYS  17           H        CYS  16   1.111  -4.367   1.776
  103    HA   CYS  17           HA       CYS  16  -0.420  -3.836  -0.511
  104    HB2  CYS  17           HB2      CYS  16   1.910  -2.522   0.820
  105    HB3  CYS  17           HB3      CYS  16   1.465  -2.004  -0.804
  106    HN1  NH2  18           HN1      NH2 102   0.077  -3.950  -2.731
  107    HN2  NH2  18           HN2      NH2 102   1.456  -4.737  -3.340
  Start of MODEL   14
    1    H1   ACE   1           H1       ACE 101  -7.046  -9.400   4.591
    2    H2   ACE   1           H2       ACE 101  -8.190  -9.474   3.251
    3    H3   ACE   1           H3       ACE 101  -8.190  -8.081   4.331
    4    H    GLY   2           H1       GLY   1  -8.032  -7.191   1.955
    5    HA2  GLY   2           HA2      GLY   1  -5.399  -7.244   0.769
    6    HA3  GLY   2           HA3      GLY   1  -6.767  -6.275   0.231
    7    H    CYS   3           H        CYS   2  -4.350  -5.097   0.194
    8    HA   CYS   3           HA       CYS   2  -3.606  -3.843   2.616
    9    HB2  CYS   3           HB2      CYS   2  -2.535  -3.975   0.058
   10    HB3  CYS   3           HB3      CYS   2  -2.987  -2.277   0.240
   11    HA   PRO   4           HA       PRO   3  -6.812  -0.707   2.774
   12    HB2  PRO   4           HB2      PRO   3  -5.675   1.022   4.545
   13    HB3  PRO   4           HB3      PRO   3  -6.334  -0.554   5.032
   14    HG2  PRO   4           HG2      PRO   3  -3.507   0.240   4.523
   15    HG3  PRO   4           HG3      PRO   3  -4.182  -0.772   5.814
   16    HD2  PRO   4           HD2      PRO   3  -2.961  -1.811   3.606
   17    HD3  PRO   4           HD3      PRO   3  -4.248  -2.662   4.486
   18    H    CYS   5           H        CYS   4  -3.625  -0.115   1.631
   19    HA   CYS   5           HA       CYS   4  -4.143   2.657   0.899
   20    HB2  CYS   5           HB2      CYS   4  -1.775   0.832   0.381
   21    HB3  CYS   5           HB3      CYS   4  -1.842   2.543  -0.053
   22    H    GLU   6           H        GLU   5  -4.940   3.293  -1.007
   23    HA   GLU   6           HA       GLU   5  -4.758   1.423  -3.263
   24    HB2  GLU   6           HB2      GLU   5  -7.005   1.189  -2.330
   25    HB3  GLU   6           HB3      GLU   5  -7.248   2.933  -2.497
   26    HG2  GLU   6           HG2      GLU   5  -8.244   1.769  -4.417
   27    HG3  GLU   6           HG3      GLU   5  -6.880   2.748  -4.944
   28    HA   PRO   7           HA       PRO   6  -3.888   1.402  -5.172
   29    HB2  PRO   7           HB2      PRO   6  -1.387   2.077  -6.101
   30    HB3  PRO   7           HB3      PRO   6  -2.863   2.279  -7.058
   31    HG2  PRO   7           HG2      PRO   6  -1.372   4.302  -5.455
   32    HG3  PRO   7           HG3      PRO   6  -2.069   4.451  -7.076
   33    HD2  PRO   7           HD2      PRO   6  -3.322   5.454  -4.905
   34    HD3  PRO   7           HD3      PRO   6  -4.238   4.740  -6.253
   35    H    SER   8           H        SER   7  -2.462  -0.155  -4.326
   36    HA   SER   8           HA       SER   7  -1.634   0.274  -1.642
   37    HB2  SER   8           HB2      SER   7  -0.879  -1.998  -1.695
   38    HB3  SER   8           HB3      SER   7  -2.371  -1.916  -2.627
   39    HG   SER   8           HG       SER   7   0.273  -2.263  -3.469
   40    H    TYR   9           H        TYR   8  -0.042   0.669  -4.688
   41    HA   TYR   9           HA       TYR   8   2.632   0.295  -3.927
   42    HB2  TYR   9           HB2      TYR   8   3.078   1.000  -6.030
   43    HB3  TYR   9           HB3      TYR   8   1.328   1.065  -6.241
   44    HD1  TYR   9           HD1      TYR   8   4.383   3.019  -5.710
   45    HD2  TYR   9           HD2      TYR   8   0.114   3.186  -6.031
   46    HE1  TYR   9           HE1      TYR   8   4.501   5.481  -5.997
   47    HE2  TYR   9           HE2      TYR   8   0.219   5.638  -6.318
   48    HH   TYR   9           HH       TYR   8   3.249   7.303  -6.790
   49    H    LEU  10           H        LEU   9   0.370   2.737  -3.020
   50    HA   LEU  10           HA       LEU   9   2.191   4.852  -2.494
   51    HB2  LEU  10           HB2      LEU   9  -0.570   4.224  -1.450
   52    HB3  LEU  10           HB3      LEU   9   0.317   5.686  -1.013
   53    HG   LEU  10           HG       LEU   9  -0.188   4.869  -3.880
   54   HD11  LEU  10          HD11      LEU   9  -2.361   5.228  -2.881
   55   HD12  LEU  10          HD12      LEU   9  -1.958   6.675  -3.804
   56   HD13  LEU  10          HD13      LEU   9  -1.793   6.675  -2.049
   57   HD21  LEU  10          HD21      LEU   9   0.798   7.373  -2.495
   58   HD22  LEU  10          HD22      LEU   9   0.203   7.396  -4.155
   59   HD23  LEU  10          HD23      LEU   9   1.614   6.428  -3.740
   60    H    CYS  11           H        CYS  10   1.391   1.934  -0.820
   61    HA   CYS  11           HA       CYS  10   2.986   2.862   1.492
   62    HB2  CYS  11           HB2      CYS  10   0.728   0.845   1.516
   63    HB3  CYS  11           HB3      CYS  10   1.642   1.417   2.915
   64    HA   PRO  12           HA       PRO  11   5.045  -0.769  -0.621
   65    HB2  PRO  12           HB2      PRO  11   7.571   0.328  -0.420
   66    HB3  PRO  12           HB3      PRO  11   6.499   0.542  -1.819
   67    HG2  PRO  12           HG2      PRO  11   7.044   2.384   0.452
   68    HG3  PRO  12           HG3      PRO  11   6.797   2.745  -1.267
   69    HD2  PRO  12           HD2      PRO  11   4.855   3.132   0.593
   70    HD3  PRO  12           HD3      PRO  11   4.492   2.689  -1.087
   71    H    TRP  13           H        TRP  12   5.593   1.057   2.302
   72    HA   TRP  13           HA       TRP  12   7.402  -0.728   3.565
   73    HB2  TRP  13           HB2      TRP  12   6.641   0.421   5.662
   74    HB3  TRP  13           HB3      TRP  12   7.188   1.524   4.398
   75    HD1  TRP  13           HD1      TRP  12   3.982   0.187   6.021
   76    HE1  TRP  13           HE1      TRP  12   2.073   1.856   5.562
   77    HE3  TRP  13           HE3      TRP  12   6.387   3.441   2.910
   78    HZ2  TRP  13           HZ2      TRP  12   1.630   4.265   4.085
   79    HZ3  TRP  13           HZ3      TRP  12   5.205   5.420   2.003
   80    HH2  TRP  13           HH2      TRP  12   2.831   5.837   2.585
   81    H    LEU  14           H        LEU  13   4.077  -1.013   2.804
   82    HA   LEU  14           HA       LEU  13   3.561  -2.809   5.032
   83    HB2  LEU  14           HB2      LEU  13   1.910  -1.426   3.000
   84    HB3  LEU  14           HB3      LEU  13   1.320  -2.997   3.561
   85    HG   LEU  14           HG       LEU  13   2.219  -0.823   5.461
   86   HD11  LEU  14          HD11      LEU  13  -0.193  -0.343   5.778
   87   HD12  LEU  14          HD12      LEU  13  -0.566  -1.438   4.446
   88   HD13  LEU  14          HD13      LEU  13   0.351   0.037   4.143
   89   HD21  LEU  14          HD21      LEU  13   0.630  -2.199   6.972
   90   HD22  LEU  14          HD22      LEU  13   2.174  -2.940   6.566
   91   HD23  LEU  14          HD23      LEU  13   0.710  -3.437   5.719
   92    HA   PRO  15           HA       PRO  14   5.150  -6.237   2.495
   93    HB2  PRO  15           HB2      PRO  14   3.619  -7.764   4.568
   94    HB3  PRO  15           HB3      PRO  14   5.279  -8.011   3.984
   95    HG2  PRO  15           HG2      PRO  14   4.844  -6.891   6.332
   96    HG3  PRO  15           HG3      PRO  14   6.128  -6.287   5.269
   97    HD2  PRO  15           HD2      PRO  14   3.441  -5.098   5.848
   98    HD3  PRO  15           HD3      PRO  14   4.996  -4.283   5.553
   99    H    GLY  16           H        GLY  15   1.836  -6.109   3.741
  100    HA2  GLY  16           HA2      GLY  15   0.676  -7.953   1.945
  101    HA3  GLY  16           HA3      GLY  15  -0.191  -6.704   2.834
  102    H    CYS  17           H        CYS  16   1.150  -4.456   1.771
  103    HA   CYS  17           HA       CYS  16  -0.388  -3.910  -0.495
  104    HB2  CYS  17           HB2      CYS  16   1.964  -2.593   0.808
  105    HB3  CYS  17           HB3      CYS  16   1.481  -2.060  -0.798
  106    HN1  NH2  18           HN1      NH2 102  -0.095  -4.401  -2.641
  107    HN2  NH2  18           HN2      NH2 102   1.346  -5.007  -3.319
  Start of MODEL   15
    1    H1   ACE   1           H1       ACE 101  -8.494  -8.814   3.449
    2    H2   ACE   1           H2       ACE 101  -7.410  -8.551   4.816
    3    H3   ACE   1           H3       ACE 101  -7.257 -10.008   3.837
    4    H    GLY   2           H1       GLY   1  -8.006  -7.331   1.934
    5    HA2  GLY   2           HA2      GLY   1  -5.407  -7.336   0.685
    6    HA3  GLY   2           HA3      GLY   1  -6.787  -6.337   0.230
    7    H    CYS   3           H        CYS   2  -4.409  -5.095   0.155
    8    HA   CYS   3           HA       CYS   2  -3.641  -3.914   2.636
    9    HB2  CYS   3           HB2      CYS   2  -2.463  -4.108   0.180
   10    HB3  CYS   3           HB3      CYS   2  -2.999  -2.427   0.171
   11    HA   PRO   4           HA       PRO   3  -6.892  -0.834   2.737
   12    HB2  PRO   4           HB2      PRO   3  -5.798   0.946   4.498
   13    HB3  PRO   4           HB3      PRO   3  -6.495  -0.609   4.995
   14    HG2  PRO   4           HG2      PRO   3  -3.638   0.137   4.576
   15    HG3  PRO   4           HG3      PRO   3  -4.373  -0.841   5.861
   16    HD2  PRO   4           HD2      PRO   3  -3.083  -1.960   3.740
   17    HD3  PRO   4           HD3      PRO   3  -4.451  -2.753   4.553
   18    H    CYS   5           H        CYS   4  -3.634  -0.128   1.788
   19    HA   CYS   5           HA       CYS   4  -4.169   2.597   0.952
   20    HB2  CYS   5           HB2      CYS   4  -1.817   0.764   0.406
   21    HB3  CYS   5           HB3      CYS   4  -1.891   2.474  -0.021
   22    H    GLU   6           H        GLU   5  -4.746   3.293  -1.034
   23    HA   GLU   6           HA       GLU   5  -4.698   1.408  -3.275
   24    HB2  GLU   6           HB2      GLU   5  -7.073   2.318  -3.824
   25    HB3  GLU   6           HB3      GLU   5  -6.898   1.015  -2.651
   26    HG2  GLU   6           HG2      GLU   5  -7.012   2.615  -0.809
   27    HG3  GLU   6           HG3      GLU   5  -7.081   3.957  -1.948
   28    HA   PRO   7           HA       PRO   6  -3.817   1.437  -5.205
   29    HB2  PRO   7           HB2      PRO   6  -1.351   2.164  -6.150
   30    HB3  PRO   7           HB3      PRO   6  -2.848   2.379  -7.075
   31    HG2  PRO   7           HG2      PRO   6  -1.348   4.374  -5.443
   32    HG3  PRO   7           HG3      PRO   6  -2.074   4.548  -7.048
   33    HD2  PRO   7           HD2      PRO   6  -3.311   5.493  -4.843
   34    HD3  PRO   7           HD3      PRO   6  -4.229   4.796  -6.198
   35    H    SER   8           H        SER   7  -2.495  -0.127  -4.304
   36    HA   SER   8           HA       SER   7  -1.585   0.265  -1.664
   37    HB2  SER   8           HB2      SER   7  -0.821  -2.011  -1.765
   38    HB3  SER   8           HB3      SER   7  -2.325  -1.915  -2.678
   39    HG   SER   8           HG       SER   7  -1.112  -1.834  -4.572
   40    H    TYR   9           H        TYR   8  -0.003   0.740  -4.722
   41    HA   TYR   9           HA       TYR   8   2.673   0.353  -3.950
   42    HB2  TYR   9           HB2      TYR   8   3.168   1.096  -6.019
   43    HB3  TYR   9           HB3      TYR   8   1.422   1.140  -6.275
   44    HD1  TYR   9           HD1      TYR   8   4.444   3.107  -5.708
   45    HD2  TYR   9           HD2      TYR   8   0.169   3.272  -5.995
   46    HE1  TYR   9           HE1      TYR   8   4.557   5.570  -5.966
   47    HE2  TYR   9           HE2      TYR   8   0.270   5.727  -6.254
   48    HH   TYR   9           HH       TYR   8   2.892   7.375  -7.116
   49    H    LEU  10           H        LEU   9   0.413   2.774  -3.032
   50    HA   LEU  10           HA       LEU   9   2.200   4.905  -2.461
   51    HB2  LEU  10           HB2      LEU   9  -0.545   4.198  -1.424
   52    HB3  LEU  10           HB3      LEU   9   0.317   5.659  -0.944
   53    HG   LEU  10           HG       LEU   9  -0.186   4.932  -3.834
   54   HD11  LEU  10          HD11      LEU   9  -1.830   6.602  -1.914
   55   HD12  LEU  10          HD12      LEU   9  -2.365   5.203  -2.846
   56   HD13  LEU  10          HD13      LEU   9  -1.987   6.717  -3.665
   57   HD21  LEU  10          HD21      LEU   9   1.584   6.523  -3.630
   58   HD22  LEU  10          HD22      LEU   9   0.746   7.404  -2.356
   59   HD23  LEU  10          HD23      LEU   9   0.151   7.475  -4.015
   60    H    CYS  11           H        CYS  10   1.410   1.954  -0.823
   61    HA   CYS  11           HA       CYS  10   3.019   2.849   1.497
   62    HB2  CYS  11           HB2      CYS  10   0.776   0.812   1.528
   63    HB3  CYS  11           HB3      CYS  10   1.672   1.423   2.918
   64    HA   PRO  12           HA       PRO  11   4.999  -0.763  -0.690
   65    HB2  PRO  12           HB2      PRO  11   7.534   0.298  -0.616
   66    HB3  PRO  12           HB3      PRO  11   6.385   0.574  -1.940
   67    HG2  PRO  12           HG2      PRO  11   7.079   2.337   0.358
   68    HG3  PRO  12           HG3      PRO  11   6.776   2.756  -1.339
   69    HD2  PRO  12           HD2      PRO  11   4.904   3.116   0.607
   70    HD3  PRO  12           HD3      PRO  11   4.474   2.743  -1.072
   71    H    TRP  13           H        TRP  12   5.591   1.035   2.226
   72    HA   TRP  13           HA       TRP  12   7.451  -0.741   3.439
   73    HB2  TRP  13           HB2      TRP  12   6.771   0.416   5.548
   74    HB3  TRP  13           HB3      TRP  12   7.251   1.521   4.260
   75    HD1  TRP  13           HD1      TRP  12   4.119   0.142   6.005
   76    HE1  TRP  13           HE1      TRP  12   2.181   1.802   5.640
   77    HE3  TRP  13           HE3      TRP  12   6.375   3.447   2.830
   78    HZ2  TRP  13           HZ2      TRP  12   1.660   4.221   4.202
   79    HZ3  TRP  13           HZ3      TRP  12   5.137   5.422   1.986
   80    HH2  TRP  13           HH2      TRP  12   2.786   5.813   2.667
   81    H    LEU  14           H        LEU  13   4.073  -0.963   2.851
   82    HA   LEU  14           HA       LEU  13   3.588  -2.775   5.062
   83    HB2  LEU  14           HB2      LEU  13   1.947  -1.364   3.047
   84    HB3  LEU  14           HB3      LEU  13   1.334  -2.927   3.590
   85    HG   LEU  14           HG       LEU  13   2.256  -0.801   5.533
   86   HD11  LEU  14          HD11      LEU  13  -0.238  -0.368   5.820
   87   HD12  LEU  14          HD12      LEU  13  -0.481  -1.247   4.311
   88   HD13  LEU  14          HD13      LEU  13   0.463   0.242   4.322
   89   HD21  LEU  14          HD21      LEU  13   0.249  -3.043   5.911
   90   HD22  LEU  14          HD22      LEU  13   1.079  -2.109   7.154
   91   HD23  LEU  14          HD23      LEU  13   1.972  -3.279   6.188
   92    HA   PRO  15           HA       PRO  14   5.089  -6.236   2.499
   93    HB2  PRO  15           HB2      PRO  14   3.543  -7.731   4.591
   94    HB3  PRO  15           HB3      PRO  14   5.179  -8.038   3.969
   95    HG2  PRO  15           HG2      PRO  14   4.873  -6.922   6.324
   96    HG3  PRO  15           HG3      PRO  14   6.108  -6.305   5.209
   97    HD2  PRO  15           HD2      PRO  14   3.423  -5.133   5.878
   98    HD3  PRO  15           HD3      PRO  14   4.975  -4.309   5.596
   99    H    GLY  16           H        GLY  15   1.794  -6.092   3.793
  100    HA2  GLY  16           HA2      GLY  15   0.590  -7.904   2.002
  101    HA3  GLY  16           HA3      GLY  15  -0.252  -6.645   2.901
  102    H    CYS  17           H        CYS  16   1.127  -4.408   1.818
  103    HA   CYS  17           HA       CYS  16  -0.428  -3.871  -0.457
  104    HB2  CYS  17           HB2      CYS  16   1.878  -2.552   0.892
  105    HB3  CYS  17           HB3      CYS  16   1.477  -2.038  -0.745
  106    HN1  NH2  18           HN1      NH2 102  -0.158  -4.557  -2.557
  107    HN2  NH2  18           HN2      NH2 102   1.313  -5.071  -3.242
  Start of MODEL   16
    1    H1   ACE   1           H1       ACE 101  -6.900  -8.602   4.776
    2    H2   ACE   1           H2       ACE 101  -6.034 -10.012   4.166
    3    H3   ACE   1           H3       ACE 101  -7.566  -9.532   3.434
    4    H    GLY   2           H1       GLY   1  -7.630  -7.681   2.087
    5    HA2  GLY   2           HA2      GLY   1  -5.261  -7.244   0.545
    6    HA3  GLY   2           HA3      GLY   1  -6.801  -6.416   0.338
    7    H    CYS   3           H        CYS   2  -4.174  -5.239   0.190
    8    HA   CYS   3           HA       CYS   2  -3.505  -3.926   2.578
    9    HB2  CYS   3           HB2      CYS   2  -2.265  -4.188   0.200
   10    HB3  CYS   3           HB3      CYS   2  -2.873  -2.538   0.047
   11    HA   PRO   4           HA       PRO   3  -6.835  -0.917   2.594
   12    HB2  PRO   4           HB2      PRO   3  -5.784   0.830   4.420
   13    HB3  PRO   4           HB3      PRO   3  -6.505  -0.729   4.863
   14    HG2  PRO   4           HG2      PRO   3  -3.633   0.005   4.553
   15    HG3  PRO   4           HG3      PRO   3  -4.416  -1.003   5.783
   16    HD2  PRO   4           HD2      PRO   3  -3.065  -2.052   3.684
   17    HD3  PRO   4           HD3      PRO   3  -4.460  -2.865   4.431
   18    H    CYS   5           H        CYS   4  -3.570  -0.194   1.712
   19    HA   CYS   5           HA       CYS   4  -4.082   2.551   0.948
   20    HB2  CYS   5           HB2      CYS   4  -1.735   0.706   0.456
   21    HB3  CYS   5           HB3      CYS   4  -1.781   2.406  -0.018
   22    H    GLU   6           H        GLU   5  -4.860   3.234  -0.943
   23    HA   GLU   6           HA       GLU   5  -4.677   1.428  -3.238
   24    HB2  GLU   6           HB2      GLU   5  -6.889   1.160  -2.199
   25    HB3  GLU   6           HB3      GLU   5  -7.217   2.865  -2.508
   26    HG2  GLU   6           HG2      GLU   5  -6.315   1.031  -4.739
   27    HG3  GLU   6           HG3      GLU   5  -8.012   1.107  -4.273
   28    HA   PRO   7           HA       PRO   6  -3.873   1.514  -5.170
   29    HB2  PRO   7           HB2      PRO   6  -1.384   2.254  -6.037
   30    HB3  PRO   7           HB3      PRO   6  -2.858   2.396  -7.009
   31    HG2  PRO   7           HG2      PRO   6  -1.426   4.489  -5.457
   32    HG3  PRO   7           HG3      PRO   6  -2.213   4.595  -7.035
   33    HD2  PRO   7           HD2      PRO   6  -3.358   5.549  -4.775
   34    HD3  PRO   7           HD3      PRO   6  -4.320   4.871  -6.109
   35    H    SER   8           H        SER   7  -2.392  -0.061  -4.403
   36    HA   SER   8           HA       SER   7  -1.590   0.275  -1.697
   37    HB2  SER   8           HB2      SER   7  -0.774  -1.992  -1.854
   38    HB3  SER   8           HB3      SER   7  -2.291  -1.893  -2.741
   39    HG   SER   8           HG       SER   7   0.105  -2.624  -3.614
   40    H    TYR   9           H        TYR   8  -0.016   0.788  -4.735
   41    HA   TYR   9           HA       TYR   8   2.669   0.464  -4.016
   42    HB2  TYR   9           HB2      TYR   8   3.065   1.228  -6.099
   43    HB3  TYR   9           HB3      TYR   8   1.310   1.293  -6.278
   44    HD1  TYR   9           HD1      TYR   8   4.362   3.239  -5.750
   45    HD2  TYR   9           HD2      TYR   8   0.092   3.402  -5.939
   46    HE1  TYR   9           HE1      TYR   8   4.469   5.707  -5.944
   47    HE2  TYR   9           HE2      TYR   8   0.175   5.860  -6.135
   48    HH   TYR   9           HH       TYR   8   2.749   7.541  -7.022
   49    H    LEU  10           H        LEU   9   0.367   2.798  -2.986
   50    HA   LEU  10           HA       LEU   9   2.128   4.946  -2.416
   51    HB2  LEU  10           HB2      LEU   9  -0.597   4.185  -1.356
   52    HB3  LEU  10           HB3      LEU   9   0.245   5.660  -0.879
   53    HG   LEU  10           HG       LEU   9  -0.307   4.929  -3.765
   54   HD11  LEU  10          HD11      LEU   9  -2.085   6.735  -3.561
   55   HD12  LEU  10          HD12      LEU   9  -1.894   6.615  -1.812
   56   HD13  LEU  10          HD13      LEU   9  -2.460   5.223  -2.736
   57   HD21  LEU  10          HD21      LEU   9   0.700   7.390  -2.316
   58   HD22  LEU  10          HD22      LEU   9   0.038   7.483  -3.948
   59   HD23  LEU  10          HD23      LEU   9   1.473   6.509  -3.632
   60    H    CYS  11           H        CYS  10   1.344   1.970  -0.806
   61    HA   CYS  11           HA       CYS  10   3.030   2.811   1.473
   62    HB2  CYS  11           HB2      CYS  10   0.769   0.806   1.564
   63    HB3  CYS  11           HB3      CYS  10   1.703   1.419   2.927
   64    HA   PRO  12           HA       PRO  11   4.933  -0.818  -0.752
   65    HB2  PRO  12           HB2      PRO  11   7.480   0.200  -0.673
   66    HB3  PRO  12           HB3      PRO  11   6.332   0.522  -1.989
   67    HG2  PRO  12           HG2      PRO  11   7.054   2.223   0.348
   68    HG3  PRO  12           HG3      PRO  11   6.775   2.684  -1.339
   69    HD2  PRO  12           HD2      PRO  11   4.900   3.050   0.587
   70    HD3  PRO  12           HD3      PRO  11   4.469   2.693  -1.098
   71    H    TRP  13           H        TRP  12   5.706   0.969   2.164
   72    HA   TRP  13           HA       TRP  12   7.515  -0.893   3.305
   73    HB2  TRP  13           HB2      TRP  12   7.004   0.273   5.428
   74    HB3  TRP  13           HB3      TRP  12   7.363   1.402   4.121
   75    HD1  TRP  13           HD1      TRP  12   4.427  -0.020   6.127
   76    HE1  TRP  13           HE1      TRP  12   2.431   1.597   5.921
   77    HE3  TRP  13           HE3      TRP  12   6.323   3.294   2.742
   78    HZ2  TRP  13           HZ2      TRP  12   1.736   3.992   4.520
   79    HZ3  TRP  13           HZ3      TRP  12   4.979   5.238   1.995
   80    HH2  TRP  13           HH2      TRP  12   2.687   5.591   2.877
   81    H    LEU  14           H        LEU  13   4.085  -0.888   2.896
   82    HA   LEU  14           HA       LEU  13   3.571  -2.671   5.078
   83    HB2  LEU  14           HB2      LEU  13   1.966  -1.286   3.040
   84    HB3  LEU  14           HB3      LEU  13   1.328  -2.835   3.594
   85    HG   LEU  14           HG       LEU  13   2.286  -0.704   5.516
   86   HD11  LEU  14          HD11      LEU  13   0.013   0.045   5.747
   87   HD12  LEU  14          HD12      LEU  13  -0.576  -1.234   4.684
   88   HD13  LEU  14          HD13      LEU  13   0.395   0.083   4.026
   89   HD21  LEU  14          HD21      LEU  13   0.638  -3.239   5.735
   90   HD22  LEU  14          HD22      LEU  13   0.656  -2.019   7.010
   91   HD23  LEU  14          HD23      LEU  13   2.144  -2.854   6.568
   92    HA   PRO  15           HA       PRO  14   4.988  -6.269   2.693
   93    HB2  PRO  15           HB2      PRO  14   3.369  -7.662   4.785
   94    HB3  PRO  15           HB3      PRO  14   5.040  -7.960   4.267
   95    HG2  PRO  15           HG2      PRO  14   4.517  -6.738   6.560
   96    HG3  PRO  15           HG3      PRO  14   5.886  -6.245   5.550
   97    HD2  PRO  15           HD2      PRO  14   3.258  -4.905   5.957
   98    HD3  PRO  15           HD3      PRO  14   4.866  -4.202   5.674
   99    H    GLY  16           H        GLY  15   1.657  -5.945   3.883
  100    HA2  GLY  16           HA2      GLY  15   0.449  -7.813   2.145
  101    HA3  GLY  16           HA3      GLY  15  -0.379  -6.482   2.953
  102    H    CYS  17           H        CYS  16   1.122  -4.357   1.825
  103    HA   CYS  17           HA       CYS  16  -0.326  -3.877  -0.538
  104    HB2  CYS  17           HB2      CYS  16   1.950  -2.545   0.861
  105    HB3  CYS  17           HB3      CYS  16   1.602  -2.075  -0.800
  106    HN1  NH2  18           HN1      NH2 102   0.036  -4.668  -2.586
  107    HN2  NH2  18           HN2      NH2 102   1.529  -5.233  -3.173
  Start of MODEL   17
    1    H1   ACE   1           H1       ACE 101 -10.366  -5.793   2.220
    2    H2   ACE   1           H2       ACE 101  -9.648  -7.352   2.623
    3    H3   ACE   1           H3       ACE 101 -10.508  -7.146   1.098
    4    H    GLY   2           H1       GLY   1  -7.545  -7.609   2.182
    5    HA2  GLY   2           HA2      GLY   1  -5.518  -7.433   1.064
    6    HA3  GLY   2           HA3      GLY   1  -6.296  -6.397  -0.127
    7    H    CYS   3           H        CYS   2  -4.141  -5.264   0.185
    8    HA   CYS   3           HA       CYS   2  -3.489  -3.944   2.552
    9    HB2  CYS   3           HB2      CYS   2  -2.278  -4.174   0.160
   10    HB3  CYS   3           HB3      CYS   2  -2.882  -2.519   0.031
   11    HA   PRO   4           HA       PRO   3  -6.802  -0.910   2.689
   12    HB2  PRO   4           HB2      PRO   3  -5.693   0.862   4.466
   13    HB3  PRO   4           HB3      PRO   3  -6.435  -0.677   4.944
   14    HG2  PRO   4           HG2      PRO   3  -3.555   0.001   4.577
   15    HG3  PRO   4           HG3      PRO   3  -4.336  -0.972   5.839
   16    HD2  PRO   4           HD2      PRO   3  -3.031  -2.116   3.746
   17    HD3  PRO   4           HD3      PRO   3  -4.457  -2.870   4.498
   18    H    CYS   5           H        CYS   4  -3.564  -0.178   1.731
   19    HA   CYS   5           HA       CYS   4  -4.134   2.557   0.952
   20    HB2  CYS   5           HB2      CYS   4  -1.743   0.768   0.470
   21    HB3  CYS   5           HB3      CYS   4  -1.833   2.465  -0.012
   22    H    GLU   6           H        GLU   5  -4.919   3.198  -0.955
   23    HA   GLU   6           HA       GLU   5  -4.692   1.388  -3.256
   24    HB2  GLU   6           HB2      GLU   5  -6.922   1.043  -2.344
   25    HB3  GLU   6           HB3      GLU   5  -7.231   2.779  -2.416
   26    HG2  GLU   6           HG2      GLU   5  -6.962   2.767  -4.832
   27    HG3  GLU   6           HG3      GLU   5  -6.530   1.058  -4.808
   28    HA   PRO   7           HA       PRO   6  -3.822   1.482  -5.195
   29    HB2  PRO   7           HB2      PRO   6  -1.367   2.272  -6.094
   30    HB3  PRO   7           HB3      PRO   6  -2.857   2.483  -7.035
   31    HG2  PRO   7           HG2      PRO   6  -1.414   4.466  -5.339
   32    HG3  PRO   7           HG3      PRO   6  -2.129   4.673  -6.942
   33    HD2  PRO   7           HD2      PRO   6  -3.391   5.526  -4.721
   34    HD3  PRO   7           HD3      PRO   6  -4.286   4.855  -6.104
   35    H    SER   8           H        SER   7  -2.369  -0.061  -4.394
   36    HA   SER   8           HA       SER   7  -1.521   0.272  -1.713
   37    HB2  SER   8           HB2      SER   7  -0.679  -1.984  -1.901
   38    HB3  SER   8           HB3      SER   7  -2.209  -1.892  -2.767
   39    HG   SER   8           HG       SER   7   0.291  -2.435  -3.678
   40    H    TYR   9           H        TYR   8   0.031   0.880  -4.747
   41    HA   TYR   9           HA       TYR   8   2.721   0.545  -4.009
   42    HB2  TYR   9           HB2      TYR   8   3.165   1.350  -6.070
   43    HB3  TYR   9           HB3      TYR   8   1.414   1.353  -6.294
   44    HD1  TYR   9           HD1      TYR   8   4.388   3.403  -5.698
   45    HD2  TYR   9           HD2      TYR   8   0.110   3.423  -5.968
   46    HE1  TYR   9           HE1      TYR   8   4.410   5.877  -5.888
   47    HE2  TYR   9           HE2      TYR   8   0.121   5.887  -6.158
   48    HH   TYR   9           HH       TYR   8   1.564   7.680  -6.723
   49    H    LEU  10           H        LEU   9   0.398   2.858  -2.983
   50    HA   LEU  10           HA       LEU   9   2.149   5.016  -2.359
   51    HB2  LEU  10           HB2      LEU   9  -0.583   4.237  -1.320
   52    HB3  LEU  10           HB3      LEU   9   0.258   5.710  -0.837
   53    HG   LEU  10           HG       LEU   9  -0.276   4.994  -3.722
   54   HD11  LEU  10          HD11      LEU   9  -2.436   5.242  -2.681
   55   HD12  LEU  10          HD12      LEU   9  -2.094   6.748  -3.532
   56   HD13  LEU  10          HD13      LEU   9  -1.898   6.660  -1.781
   57   HD21  LEU  10          HD21      LEU   9   0.036   7.540  -3.905
   58   HD22  LEU  10          HD22      LEU   9   1.483   6.599  -3.551
   59   HD23  LEU  10          HD23      LEU   9   0.661   7.470  -2.256
   60    H    CYS  11           H        CYS  10   1.346   2.012  -0.821
   61    HA   CYS  11           HA       CYS  10   2.998   2.794   1.502
   62    HB2  CYS  11           HB2      CYS  10   0.689   0.839   1.488
   63    HB3  CYS  11           HB3      CYS  10   1.629   1.345   2.891
   64    HA   PRO  12           HA       PRO  11   4.862  -0.822  -0.809
   65    HB2  PRO  12           HB2      PRO  11   7.413   0.171  -0.773
   66    HB3  PRO  12           HB3      PRO  11   6.236   0.550  -2.049
   67    HG2  PRO  12           HG2      PRO  11   7.014   2.158   0.341
   68    HG3  PRO  12           HG3      PRO  11   6.753   2.683  -1.332
   69    HD2  PRO  12           HD2      PRO  11   4.865   3.033   0.580
   70    HD3  PRO  12           HD3      PRO  11   4.439   2.697  -1.104
   71    H    TRP  13           H        TRP  12   5.678   0.949   2.091
   72    HA   TRP  13           HA       TRP  12   7.479  -0.935   3.212
   73    HB2  TRP  13           HB2      TRP  12   7.026   0.230   5.339
   74    HB3  TRP  13           HB3      TRP  12   7.364   1.371   4.038
   75    HD1  TRP  13           HD1      TRP  12   4.463  -0.060   6.096
   76    HE1  TRP  13           HE1      TRP  12   2.466   1.562   5.947
   77    HE3  TRP  13           HE3      TRP  12   6.293   3.283   2.699
   78    HZ2  TRP  13           HZ2      TRP  12   1.742   3.967   4.578
   79    HZ3  TRP  13           HZ3      TRP  12   4.935   5.233   1.997
   80    HH2  TRP  13           HH2      TRP  12   2.663   5.581   2.931
   81    H    LEU  14           H        LEU  13   4.031  -0.876   2.855
   82    HA   LEU  14           HA       LEU  13   3.541  -2.641   5.063
   83    HB2  LEU  14           HB2      LEU  13   1.912  -1.313   3.001
   84    HB3  LEU  14           HB3      LEU  13   1.279  -2.844   3.606
   85    HG   LEU  14           HG       LEU  13   2.227  -0.628   5.436
   86   HD11  LEU  14          HD11      LEU  13  -0.623  -1.249   4.617
   87   HD12  LEU  14          HD12      LEU  13   0.317   0.097   3.970
   88   HD13  LEU  14          HD13      LEU  13  -0.082   0.046   5.687
   89   HD21  LEU  14          HD21      LEU  13   0.645  -3.187   5.780
   90   HD22  LEU  14          HD22      LEU  13   0.637  -1.912   6.998
   91   HD23  LEU  14          HD23      LEU  13   2.145  -2.724   6.583
   92    HA   PRO  15           HA       PRO  14   4.988  -6.296   2.805
   93    HB2  PRO  15           HB2      PRO  14   3.291  -7.622   4.890
   94    HB3  PRO  15           HB3      PRO  14   4.951  -7.998   4.379
   95    HG2  PRO  15           HG2      PRO  14   4.519  -6.739   6.652
   96    HG3  PRO  15           HG3      PRO  14   5.859  -6.249   5.596
   97    HD2  PRO  15           HD2      PRO  14   3.208  -4.902   6.022
   98    HD3  PRO  15           HD3      PRO  14   4.812  -4.181   5.757
   99    H    GLY  16           H        GLY  15   1.630  -5.977   3.909
  100    HA2  GLY  16           HA2      GLY  15   0.471  -7.850   2.145
  101    HA3  GLY  16           HA3      GLY  15  -0.381  -6.531   2.943
  102    H    CYS  17           H        CYS  16   1.110  -4.383   1.842
  103    HA   CYS  17           HA       CYS  16  -0.312  -3.904  -0.532
  104    HB2  CYS  17           HB2      CYS  16   1.959  -2.585   0.881
  105    HB3  CYS  17           HB3      CYS  16   1.643  -2.123  -0.789
  106    HN1  NH2  18           HN1      NH2 102   0.044  -4.712  -2.572
  107    HN2  NH2  18           HN2      NH2 102   1.538  -5.274  -3.160
  Start of MODEL   18
    1    H1   ACE   1           H1       ACE 101  -9.028  -9.215   2.758
    2    H2   ACE   1           H2       ACE 101  -7.686  -9.093   3.896
    3    H3   ACE   1           H3       ACE 101  -7.841 -10.515   2.864
    4    H    GLY   2           H1       GLY   1  -6.911  -7.148   3.015
    5    HA2  GLY   2           HA2      GLY   1  -5.059  -7.426   0.864
    6    HA3  GLY   2           HA3      GLY   1  -6.479  -6.518   0.349
    7    H    CYS   3           H        CYS   2  -4.169  -5.200   0.215
    8    HA   CYS   3           HA       CYS   2  -3.457  -3.892   2.638
    9    HB2  CYS   3           HB2      CYS   2  -2.239  -4.146   0.219
   10    HB3  CYS   3           HB3      CYS   2  -2.850  -2.491   0.115
   11    HA   PRO   4           HA       PRO   3  -6.821  -0.905   2.605
   12    HB2  PRO   4           HB2      PRO   3  -5.819   0.873   4.423
   13    HB3  PRO   4           HB3      PRO   3  -6.496  -0.705   4.879
   14    HG2  PRO   4           HG2      PRO   3  -3.646   0.105   4.546
   15    HG3  PRO   4           HG3      PRO   3  -4.395  -0.897   5.802
   16    HD2  PRO   4           HD2      PRO   3  -3.028  -1.964   3.715
   17    HD3  PRO   4           HD3      PRO   3  -4.398  -2.794   4.483
   18    H    CYS   5           H        CYS   4  -3.581  -0.179   1.674
   19    HA   CYS   5           HA       CYS   4  -4.114   2.568   0.912
   20    HB2  CYS   5           HB2      CYS   4  -1.748   0.738   0.415
   21    HB3  CYS   5           HB3      CYS   4  -1.804   2.440  -0.053
   22    H    GLU   6           H        GLU   5  -4.929   3.228  -0.945
   23    HA   GLU   6           HA       GLU   5  -4.736   1.426  -3.252
   24    HB2  GLU   6           HB2      GLU   5  -7.237   2.858  -2.367
   25    HB3  GLU   6           HB3      GLU   5  -7.034   1.972  -3.881
   26    HG2  GLU   6           HG2      GLU   5  -6.482  -0.067  -2.649
   27    HG3  GLU   6           HG3      GLU   5  -6.664   0.792  -1.121
   28    HA   PRO   7           HA       PRO   6  -3.877   1.470  -5.155
   29    HB2  PRO   7           HB2      PRO   6  -1.392   2.188  -6.075
   30    HB3  PRO   7           HB3      PRO   6  -2.876   2.393  -7.020
   31    HG2  PRO   7           HG2      PRO   6  -1.394   4.403  -5.396
   32    HG3  PRO   7           HG3      PRO   6  -2.113   4.572  -7.005
   33    HD2  PRO   7           HD2      PRO   6  -3.351   5.521  -4.797
   34    HD3  PRO   7           HD3      PRO   6  -4.273   4.832  -6.153
   35    H    SER   8           H        SER   7  -2.427  -0.086  -4.350
   36    HA   SER   8           HA       SER   7  -1.597   0.285  -1.655
   37    HB2  SER   8           HB2      SER   7  -0.848  -1.986  -1.766
   38    HB3  SER   8           HB3      SER   7  -2.331  -1.878  -2.708
   39    HG   SER   8           HG       SER   7  -1.189  -2.587  -4.305
   40    H    TYR   9           H        TYR   8  -0.024   0.761  -4.700
   41    HA   TYR   9           HA       TYR   8   2.658   0.398  -3.960
   42    HB2  TYR   9           HB2      TYR   8   3.090   1.141  -6.047
   43    HB3  TYR   9           HB3      TYR   8   1.338   1.188  -6.252
   44    HD1  TYR   9           HD1      TYR   8   4.372   3.166  -5.711
   45    HD2  TYR   9           HD2      TYR   8   0.100   3.298  -5.989
   46    HE1  TYR   9           HE1      TYR   8   4.465   5.630  -5.960
   47    HE2  TYR   9           HE2      TYR   8   0.177   5.755  -6.237
   48    HH   TYR   9           HH       TYR   8   1.647   7.504  -6.804
   49    H    LEU  10           H        LEU   9   0.377   2.789  -2.994
   50    HA   LEU  10           HA       LEU   9   2.145   4.937  -2.449
   51    HB2  LEU  10           HB2      LEU   9  -0.554   4.174  -1.334
   52    HB3  LEU  10           HB3      LEU   9   0.287   5.660  -0.892
   53    HG   LEU  10           HG       LEU   9  -0.286   4.888  -3.757
   54   HD11  LEU  10          HD11      LEU   9  -2.098   6.694  -3.530
   55   HD12  LEU  10          HD12      LEU   9  -1.920   6.501  -1.786
   56   HD13  LEU  10          HD13      LEU   9  -2.450   5.140  -2.774
   57   HD21  LEU  10          HD21      LEU   9   0.002   7.422  -3.998
   58   HD22  LEU  10          HD22      LEU   9   1.464   6.514  -3.621
   59   HD23  LEU  10          HD23      LEU   9   0.629   7.406  -2.349
   60    H    CYS  11           H        CYS  10   1.324   1.993  -0.772
   61    HA   CYS  11           HA       CYS  10   3.043   2.847   1.482
   62    HB2  CYS  11           HB2      CYS  10   0.794   0.833   1.586
   63    HB3  CYS  11           HB3      CYS  10   1.708   1.478   2.946
   64    HA   PRO  12           HA       PRO  11   4.947  -0.797  -0.734
   65    HB2  PRO  12           HB2      PRO  11   7.495   0.218  -0.662
   66    HB3  PRO  12           HB3      PRO  11   6.345   0.542  -1.974
   67    HG2  PRO  12           HG2      PRO  11   7.071   2.239   0.368
   68    HG3  PRO  12           HG3      PRO  11   6.797   2.703  -1.324
   69    HD2  PRO  12           HD2      PRO  11   4.917   3.075   0.599
   70    HD3  PRO  12           HD3      PRO  11   4.491   2.715  -1.085
   71    H    TRP  13           H        TRP  12   5.673   0.981   2.183
   72    HA   TRP  13           HA       TRP  12   7.494  -0.875   3.331
   73    HB2  TRP  13           HB2      TRP  12   6.963   0.294   5.454
   74    HB3  TRP  13           HB3      TRP  12   7.344   1.420   4.151
   75    HD1  TRP  13           HD1      TRP  12   4.376   0.010   6.119
   76    HE1  TRP  13           HE1      TRP  12   2.392   1.642   5.893
   77    HE3  TRP  13           HE3      TRP  12   6.338   3.326   2.770
   78    HZ2  TRP  13           HZ2      TRP  12   1.731   4.047   4.492
   79    HZ3  TRP  13           HZ3      TRP  12   5.017   5.284   2.016
   80    HH2  TRP  13           HH2      TRP  12   2.717   5.646   2.871
   81    H    LEU  14           H        LEU  13   4.070  -0.900   2.863
   82    HA   LEU  14           HA       LEU  13   3.573  -2.677   5.078
   83    HB2  LEU  14           HB2      LEU  13   1.937  -1.265   3.075
   84    HB3  LEU  14           HB3      LEU  13   1.307  -2.831   3.602
   85    HG   LEU  14           HG       LEU  13   2.272  -0.728   5.553
   86   HD11  LEU  14          HD11      LEU  13   0.432   0.250   4.318
   87   HD12  LEU  14          HD12      LEU  13  -0.164  -0.255   5.899
   88   HD13  LEU  14          HD13      LEU  13  -0.511  -1.233   4.474
   89   HD21  LEU  14          HD21      LEU  13   2.177  -2.874   6.602
   90   HD22  LEU  14          HD22      LEU  13   0.695  -3.308   5.753
   91   HD23  LEU  14          HD23      LEU  13   0.654  -2.100   7.038
   92    HA   PRO  15           HA       PRO  14   4.982  -6.287   2.717
   93    HB2  PRO  15           HB2      PRO  14   3.286  -7.659   4.764
   94    HB3  PRO  15           HB3      PRO  14   4.958  -7.999   4.273
   95    HG2  PRO  15           HG2      PRO  14   4.418  -6.769   6.562
   96    HG3  PRO  15           HG3      PRO  14   5.826  -6.318   5.586
   97    HD2  PRO  15           HD2      PRO  14   3.244  -4.882   5.963
   98    HD3  PRO  15           HD3      PRO  14   4.872  -4.230   5.674
   99    H    GLY  16           H        GLY  15   1.619  -6.003   3.830
  100    HA2  GLY  16           HA2      GLY  15   0.478  -7.846   2.021
  101    HA3  GLY  16           HA3      GLY  15  -0.389  -6.555   2.847
  102    H    CYS  17           H        CYS  16   1.098  -4.378   1.798
  103    HA   CYS  17           HA       CYS  16  -0.322  -3.836  -0.554
  104    HB2  CYS  17           HB2      CYS  16   1.978  -2.557   0.860
  105    HB3  CYS  17           HB3      CYS  16   1.617  -2.042  -0.785
  106    HN1  NH2  18           HN1      NH2 102   0.051  -4.455  -2.654
  107    HN2  NH2  18           HN2      NH2 102   1.519  -5.081  -3.247
  Start of MODEL   19
    1    H1   ACE   1           H1       ACE 101  -9.241  -7.201   3.883
    2    H2   ACE   1           H2       ACE 101  -9.216  -8.599   2.808
    3    H3   ACE   1           H3       ACE 101 -10.425  -7.335   2.582
    4    H    GLY   2           H1       GLY   1  -6.966  -8.048   2.408
    5    HA2  GLY   2           HA2      GLY   1  -5.453  -7.381   0.760
    6    HA3  GLY   2           HA3      GLY   1  -6.687  -6.316   0.093
    7    H    CYS   3           H        CYS   2  -4.433  -5.070   0.083
    8    HA   CYS   3           HA       CYS   2  -3.638  -3.906   2.564
    9    HB2  CYS   3           HB2      CYS   2  -2.470  -4.115   0.113
   10    HB3  CYS   3           HB3      CYS   2  -2.989  -2.427   0.101
   11    HA   PRO   4           HA       PRO   3  -6.853  -0.776   2.689
   12    HB2  PRO   4           HB2      PRO   3  -5.727   0.974   4.461
   13    HB3  PRO   4           HB3      PRO   3  -6.469  -0.562   4.947
   14    HG2  PRO   4           HG2      PRO   3  -3.591   0.111   4.560
   15    HG3  PRO   4           HG3      PRO   3  -4.364  -0.858   5.829
   16    HD2  PRO   4           HD2      PRO   3  -3.078  -1.999   3.717
   17    HD3  PRO   4           HD3      PRO   3  -4.480  -2.758   4.507
   18    H    CYS   5           H        CYS   4  -3.612  -0.160   1.677
   19    HA   CYS   5           HA       CYS   4  -4.102   2.603   0.916
   20    HB2  CYS   5           HB2      CYS   4  -1.766   0.748   0.393
   21    HB3  CYS   5           HB3      CYS   4  -1.810   2.462  -0.029
   22    H    GLU   6           H        GLU   5  -4.945   3.227  -0.981
   23    HA   GLU   6           HA       GLU   5  -4.760   1.387  -3.276
   24    HB2  GLU   6           HB2      GLU   5  -6.995   1.152  -2.318
   25    HB3  GLU   6           HB3      GLU   5  -7.232   2.899  -2.428
   26    HG2  GLU   6           HG2      GLU   5  -7.039   2.842  -4.836
   27    HG3  GLU   6           HG3      GLU   5  -6.606   1.134  -4.803
   28    HA   PRO   7           HA       PRO   6  -3.863   1.425  -5.200
   29    HB2  PRO   7           HB2      PRO   6  -1.381   2.168  -6.118
   30    HB3  PRO   7           HB3      PRO   6  -2.866   2.363  -7.064
   31    HG2  PRO   7           HG2      PRO   6  -1.404   4.381  -5.430
   32    HG3  PRO   7           HG3      PRO   6  -2.129   4.547  -7.036
   33    HD2  PRO   7           HD2      PRO   6  -3.373   5.477  -4.827
   34    HD3  PRO   7           HD3      PRO   6  -4.287   4.782  -6.186
   35    H    SER   8           H        SER   7  -2.470  -0.128  -4.340
   36    HA   SER   8           HA       SER   7  -1.607   0.257  -1.673
   37    HB2  SER   8           HB2      SER   7  -0.848  -2.018  -1.783
   38    HB3  SER   8           HB3      SER   7  -2.335  -1.917  -2.718
   39    HG   SER   8           HG       SER   7   0.159  -2.579  -3.507
   40    H    TYR   9           H        TYR   8  -0.025   0.765  -4.711
   41    HA   TYR   9           HA       TYR   8   2.649   0.378  -3.938
   42    HB2  TYR   9           HB2      TYR   8   3.138   1.138  -6.004
   43    HB3  TYR   9           HB3      TYR   8   1.391   1.166  -6.255
   44    HD1  TYR   9           HD1      TYR   8   4.392   3.174  -5.674
   45    HD2  TYR   9           HD2      TYR   8   0.119   3.270  -5.980
   46    HE1  TYR   9           HE1      TYR   8   4.465   5.641  -5.922
   47    HE2  TYR   9           HE2      TYR   8   0.180   5.726  -6.230
   48    HH   TYR   9           HH       TYR   8   3.160   7.445  -6.716
   49    H    LEU  10           H        LEU   9   0.375   2.772  -2.988
   50    HA   LEU  10           HA       LEU   9   2.146   4.913  -2.411
   51    HB2  LEU  10           HB2      LEU   9  -0.587   4.190  -1.342
   52    HB3  LEU  10           HB3      LEU   9   0.268   5.667  -0.901
   53    HG   LEU  10           HG       LEU   9  -0.275   4.883  -3.770
   54   HD11  LEU  10          HD11      LEU   9  -1.908   6.550  -1.842
   55   HD12  LEU  10          HD12      LEU   9  -2.444   5.172  -2.803
   56   HD13  LEU  10          HD13      LEU   9  -2.063   6.702  -3.592
   57   HD21  LEU  10          HD21      LEU   9   0.058   7.416  -4.012
   58   HD22  LEU  10          HD22      LEU   9   1.499   6.482  -3.618
   59   HD23  LEU  10          HD23      LEU   9   0.664   7.392  -2.358
   60    H    CYS  11           H        CYS  10   1.423   1.928  -0.801
   61    HA   CYS  11           HA       CYS  10   3.026   2.827   1.525
   62    HB2  CYS  11           HB2      CYS  10   0.783   0.791   1.539
   63    HB3  CYS  11           HB3      CYS  10   1.687   1.373   2.939
   64    HA   PRO  12           HA       PRO  11   5.033  -0.786  -0.672
   65    HB2  PRO  12           HB2      PRO  11   7.560   0.287  -0.604
   66    HB3  PRO  12           HB3      PRO  11   6.406   0.570  -1.926
   67    HG2  PRO  12           HG2      PRO  11   7.080   2.309   0.401
   68    HG3  PRO  12           HG3      PRO  11   6.810   2.747  -1.298
   69    HD2  PRO  12           HD2      PRO  11   4.897   3.101   0.594
   70    HD3  PRO  12           HD3      PRO  11   4.497   2.696  -1.083
   71    H    TRP  13           H        TRP  12   5.638   1.032   2.238
   72    HA   TRP  13           HA       TRP  12   7.489  -0.776   3.429
   73    HB2  TRP  13           HB2      TRP  12   6.869   0.383   5.550
   74    HB3  TRP  13           HB3      TRP  12   7.346   1.491   4.264
   75    HD1  TRP  13           HD1      TRP  12   4.245   0.179   6.096
   76    HE1  TRP  13           HE1      TRP  12   2.315   1.853   5.748
   77    HE3  TRP  13           HE3      TRP  12   6.450   3.398   2.800
   78    HZ2  TRP  13           HZ2      TRP  12   1.780   4.245   4.273
   79    HZ3  TRP  13           HZ3      TRP  12   5.210   5.367   1.946
   80    HH2  TRP  13           HH2      TRP  12   2.880   5.794   2.677
   81    H    LEU  14           H        LEU  13   4.128  -0.987   2.809
   82    HA   LEU  14           HA       LEU  13   3.641  -2.765   5.054
   83    HB2  LEU  14           HB2      LEU  13   1.978  -1.336   3.063
   84    HB3  LEU  14           HB3      LEU  13   1.357  -2.892   3.627
   85    HG   LEU  14           HG       LEU  13   2.326  -0.730   5.514
   86   HD11  LEU  14          HD11      LEU  13   0.395   0.057   4.140
   87   HD12  LEU  14          HD12      LEU  13  -0.022  -0.136   5.842
   88   HD13  LEU  14          HD13      LEU  13  -0.519  -1.354   4.669
   89   HD21  LEU  14          HD21      LEU  13   2.288  -2.846   6.613
   90   HD22  LEU  14          HD22      LEU  13   0.802  -3.331   5.798
   91   HD23  LEU  14          HD23      LEU  13   0.756  -2.094   7.053
   92    HA   PRO  15           HA       PRO  14   5.081  -6.248   2.502
   93    HB2  PRO  15           HB2      PRO  14   3.549  -7.726   4.610
   94    HB3  PRO  15           HB3      PRO  14   5.180  -8.037   3.981
   95    HG2  PRO  15           HG2      PRO  14   4.870  -6.913   6.337
   96    HG3  PRO  15           HG3      PRO  14   6.124  -6.328   5.226
   97    HD2  PRO  15           HD2      PRO  14   3.471  -5.092   5.895
   98    HD3  PRO  15           HD3      PRO  14   5.034  -4.306   5.575
   99    H    GLY  16           H        GLY  15   1.797  -6.057   3.821
  100    HA2  GLY  16           HA2      GLY  15   0.555  -7.888   2.079
  101    HA3  GLY  16           HA3      GLY  15  -0.261  -6.596   2.952
  102    H    CYS  17           H        CYS  16   1.125  -4.406   1.809
  103    HA   CYS  17           HA       CYS  16  -0.440  -3.902  -0.467
  104    HB2  CYS  17           HB2      CYS  16   1.893  -2.573   0.838
  105    HB3  CYS  17           HB3      CYS  16   1.467  -2.081  -0.800
  106    HN1  NH2  18           HN1      NH2 102  -0.187  -4.634  -2.551
  107    HN2  NH2  18           HN2      NH2 102   1.277  -5.173  -3.234
  Start of MODEL   20
    1    H1   ACE   1           H1       ACE 101  -3.593  -9.465  -0.699
    2    H2   ACE   1           H2       ACE 101  -2.240  -8.498  -0.108
    3    H3   ACE   1           H3       ACE 101  -3.241  -7.901  -1.432
    4    H    GLY   2           H1       GLY   1  -5.478  -7.335  -0.953
    5    HA2  GLY   2           HA2      GLY   1  -7.082  -6.247   0.298
    6    HA3  GLY   2           HA3      GLY   1  -6.600  -7.303   1.619
    7    H    CYS   3           H        CYS   2  -4.362  -5.058   0.078
    8    HA   CYS   3           HA       CYS   2  -3.612  -3.924   2.557
    9    HB2  CYS   3           HB2      CYS   2  -2.444  -4.082   0.109
   10    HB3  CYS   3           HB3      CYS   2  -2.975  -2.398   0.113
   11    HA   PRO   4           HA       PRO   3  -6.833  -0.826   2.807
   12    HB2  PRO   4           HB2      PRO   3  -5.630   0.915   4.552
   13    HB3  PRO   4           HB3      PRO   3  -6.385  -0.611   5.050
   14    HG2  PRO   4           HG2      PRO   3  -3.509   0.011   4.578
   15    HG3  PRO   4           HG3      PRO   3  -4.263  -0.945   5.870
   16    HD2  PRO   4           HD2      PRO   3  -3.062  -2.112   3.738
   17    HD3  PRO   4           HD3      PRO   3  -4.483  -2.834   4.531
   18    H    CYS   5           H        CYS   4  -3.622  -0.180   1.708
   19    HA   CYS   5           HA       CYS   4  -4.174   2.573   0.941
   20    HB2  CYS   5           HB2      CYS   4  -1.790   0.776   0.407
   21    HB3  CYS   5           HB3      CYS   4  -1.884   2.482  -0.031
   22    H    GLU   6           H        GLU   5  -4.808   3.262  -1.013
   23    HA   GLU   6           HA       GLU   5  -4.718   1.407  -3.279
   24    HB2  GLU   6           HB2      GLU   5  -7.093   2.281  -3.834
   25    HB3  GLU   6           HB3      GLU   5  -6.910   0.990  -2.651
   26    HG2  GLU   6           HG2      GLU   5  -7.052   2.611  -0.819
   27    HG3  GLU   6           HG3      GLU   5  -7.151   3.939  -1.976
   28    HA   PRO   7           HA       PRO   6  -3.841   1.442  -5.201
   29    HB2  PRO   7           HB2      PRO   6  -1.368   2.188  -6.113
   30    HB3  PRO   7           HB3      PRO   6  -2.850   2.374  -7.064
   31    HG2  PRO   7           HG2      PRO   6  -1.387   4.400  -5.445
   32    HG3  PRO   7           HG3      PRO   6  -2.126   4.561  -7.047
   33    HD2  PRO   7           HD2      PRO   6  -3.349   5.493  -4.820
   34    HD3  PRO   7           HD3      PRO   6  -4.274   4.808  -6.178
   35    H    SER   8           H        SER   7  -2.476  -0.121  -4.337
   36    HA   SER   8           HA       SER   7  -1.591   0.261  -1.680
   37    HB2  SER   8           HB2      SER   7  -0.834  -2.014  -1.793
   38    HB3  SER   8           HB3      SER   7  -2.329  -1.909  -2.717
   39    HG   SER   8           HG       SER   7   0.336  -2.095  -3.616
   40    H    TYR   9           H        TYR   8  -0.018   0.754  -4.723
   41    HA   TYR   9           HA       TYR   8   2.660   0.369  -3.963
   42    HB2  TYR   9           HB2      TYR   8   3.131   1.099  -6.043
   43    HB3  TYR   9           HB3      TYR   8   1.382   1.149  -6.277
   44    HD1  TYR   9           HD1      TYR   8   4.421   3.101  -5.794
   45    HD2  TYR   9           HD2      TYR   8   0.139   3.288  -5.942
   46    HE1  TYR   9           HE1      TYR   8   4.538   5.564  -6.056
   47    HE2  TYR   9           HE2      TYR   8   0.245   5.744  -6.206
   48    HH   TYR   9           HH       TYR   8   2.548   7.380  -7.231
   49    H    LEU  10           H        LEU   9   0.401   2.773  -3.023
   50    HA   LEU  10           HA       LEU   9   2.196   4.910  -2.464
   51    HB2  LEU  10           HB2      LEU   9  -0.552   4.216  -1.414
   52    HB3  LEU  10           HB3      LEU   9   0.315   5.679  -0.952
   53    HG   LEU  10           HG       LEU   9  -0.216   4.928  -3.831
   54   HD11  LEU  10          HD11      LEU   9  -1.818   6.657  -1.925
   55   HD12  LEU  10          HD12      LEU   9  -2.382   5.239  -2.810
   56   HD13  LEU  10          HD13      LEU   9  -1.999   6.726  -3.678
   57   HD21  LEU  10          HD21      LEU   9   1.575   6.498  -3.664
   58   HD22  LEU  10          HD22      LEU   9   0.762   7.402  -2.387
   59   HD23  LEU  10          HD23      LEU   9   0.152   7.465  -4.041
   60    H    CYS  11           H        CYS  10   1.403   1.956  -0.826
   61    HA   CYS  11           HA       CYS  10   3.015   2.848   1.494
   62    HB2  CYS  11           HB2      CYS  10   0.763   0.821   1.540
   63    HB3  CYS  11           HB3      CYS  10   1.659   1.443   2.924
   64    HA   PRO  12           HA       PRO  11   4.977  -0.784  -0.685
   65    HB2  PRO  12           HB2      PRO  11   7.516   0.269  -0.608
   66    HB3  PRO  12           HB3      PRO  11   6.373   0.547  -1.936
   67    HG2  PRO  12           HG2      PRO  11   7.061   2.306   0.366
   68    HG3  PRO  12           HG3      PRO  11   6.777   2.727  -1.335
   69    HD2  PRO  12           HD2      PRO  11   4.889   3.102   0.586
   70    HD3  PRO  12           HD3      PRO  11   4.470   2.711  -1.091
   71    H    TRP  13           H        TRP  12   5.617   1.024   2.232
   72    HA   TRP  13           HA       TRP  12   7.467  -0.779   3.416
   73    HB2  TRP  13           HB2      TRP  12   6.834   0.372   5.540
   74    HB3  TRP  13           HB3      TRP  12   7.296   1.483   4.250
   75    HD1  TRP  13           HD1      TRP  12   4.203   0.132   6.069
   76    HE1  TRP  13           HE1      TRP  12   2.265   1.798   5.737
   77    HE3  TRP  13           HE3      TRP  12   6.393   3.390   2.804
   78    HZ2  TRP  13           HZ2      TRP  12   1.719   4.201   4.285
   79    HZ3  TRP  13           HZ3      TRP  12   5.144   5.361   1.968
   80    HH2  TRP  13           HH2      TRP  12   2.811   5.771   2.703
   81    H    LEU  14           H        LEU  13   4.082  -0.959   2.877
   82    HA   LEU  14           HA       LEU  13   3.594  -2.774   5.084
   83    HB2  LEU  14           HB2      LEU  13   1.948  -1.357   3.075
   84    HB3  LEU  14           HB3      LEU  13   1.325  -2.913   3.635
   85    HG   LEU  14           HG       LEU  13   2.263  -0.743   5.529
   86   HD11  LEU  14          HD11      LEU  13   0.366   0.104   4.206
   87   HD12  LEU  14          HD12      LEU  13  -0.137  -0.236   5.862
   88   HD13  LEU  14          HD13      LEU  13  -0.549  -1.361   4.567
   89   HD21  LEU  14          HD21      LEU  13   0.691  -2.113   7.053
   90   HD22  LEU  14          HD22      LEU  13   2.219  -2.873   6.615
   91   HD23  LEU  14          HD23      LEU  13   0.733  -3.345   5.792
   92    HA   PRO  15           HA       PRO  14   5.063  -6.252   2.547
   93    HB2  PRO  15           HB2      PRO  14   3.493  -7.724   4.634
   94    HB3  PRO  15           HB3      PRO  14   5.132  -8.038   4.027
   95    HG2  PRO  15           HG2      PRO  14   4.801  -6.910   6.376
   96    HG3  PRO  15           HG3      PRO  14   6.061  -6.319   5.277
   97    HD2  PRO  15           HD2      PRO  14   3.390  -5.104   5.907
   98    HD3  PRO  15           HD3      PRO  14   4.956  -4.305   5.627
   99    H    GLY  16           H        GLY  15   1.758  -6.051   3.814
  100    HA2  GLY  16           HA2      GLY  15   0.548  -7.872   2.039
  101    HA3  GLY  16           HA3      GLY  15  -0.285  -6.585   2.905
  102    H    CYS  17           H        CYS  16   1.130  -4.391   1.798
  103    HA   CYS  17           HA       CYS  16  -0.378  -3.882  -0.516
  104    HB2  CYS  17           HB2      CYS  16   1.919  -2.555   0.854
  105    HB3  CYS  17           HB3      CYS  16   1.524  -2.051  -0.788
  106    HN1  NH2  18           HN1      NH2 102  -0.044  -4.576  -2.616
  107    HN2  NH2  18           HN2      NH2 102   1.443  -5.115  -3.244