*HEADER    TOXIN                                   22-NOV-00   1G92              
*TITLE     SOLUTION STRUCTURE OF PONERATOXIN                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PONERATOXIN;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: PAC-TX;                                                     
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE           
*SOURCE   4 SEQUENCE OF THE PEPTIDE IS NATURALLY FOUND IN PARAPONERA             
*SOURCE   5 CLAVATA (VENON ANT).                                                 
*KEYWDS    TOXIN; NEUROTOXIN; SODIUM CHANNEL INHIBITOR                           
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    J.POZNANSKI, E.SZOLAJSKA, J.MICHALIK, J.CHROBOCZEK                    
*REVDAT   1   18-NOV-03 1G92    0                                                


assign (resid  1 and name HA  )   (resid  1 and name HB* )    4.2  2.4 0.0
assign (resid  1 and name HA  )   (resid  1 and name HD* )    6.0  4.2 0.0
assign (resid  1 and name HA  )   (resid  1 and name HE* )    7.6  5.8 0.0
assign (resid  1 and name HA  )   (resid  2 and name HN  )    2.9  1.1 0.0
assign (resid  1 and name HA  )   (resid  2 and name HB* )    5.6  3.8 0.0
assign (resid  1 and name HA  )   (resid  3 and name HG* )    6.4  4.6 0.0
assign (resid  1 and name HA  )   (resid  3 and name HD2 )    5.5  3.7 0.0
assign (resid  1 and name HA  )   (resid  5 and name HG  )    5.5  3.7 0.0
assign (resid  1 and name HB* )   (resid  1 and name HD* )    7.0  5.2 0.0
assign (resid  1 and name HB* )   (resid  1 and name HE* )    8.5  6.7 0.0
assign (resid  1 and name HB* )   (resid  2 and name HN  )    5.2  3.4 0.0
assign (resid  1 and name HB* )   (resid  3 and name HG* )    7.2  5.5 0.0
assign (resid  1 and name HB* )   (resid  4 and name HN  )    6.4  4.6 0.0
assign (resid  1 and name HB* )   (resid  5 and name HG  )    5.9  4.1 0.0
assign (resid  1 and name HB* )   (resid  5 and name HD1*)    7.4  5.6 0.0
assign (resid  1 and name HD* )   (resid  1 and name HE* )    9.7  7.9 0.0
assign (resid  1 and name HD* )   (resid  1 and name HZ  )    7.6  5.8 0.0
assign (resid  1 and name HD* )   (resid  2 and name HN  )    7.6  5.8 0.0
assign (resid  1 and name HD* )   (resid  3 and name HA  )    7.6  5.8 0.0
assign (resid  1 and name HD* )   (resid  3 and name HG* )    8.5  6.7 0.0
assign (resid  1 and name HD* )   (resid  3 and name HD2 )    7.6  5.8 0.0
assign (resid  1 and name HD* )   (resid  3 and name HD1 )    7.6  5.8 0.0
assign (resid  1 and name HD* )   (resid  4 and name HN  )    7.6  5.8 0.0
assign (resid  1 and name HD* )   (resid  5 and name HG  )    7.0  5.2 0.0
assign (resid  1 and name HD* )   (resid  5 and name HD1*)    8.7  6.9 0.0
assign (resid  1 and name HE* )   (resid  1 and name HZ  )    7.6  5.8 0.0
assign (resid  1 and name HE* )   (resid  3 and name HA  )    7.6  5.8 0.0
assign (resid  1 and name HE* )   (resid  3 and name HB2 )    7.6  5.8 0.0
assign (resid  1 and name HE* )   (resid  3 and name HG* )    8.5  6.7 0.0
assign (resid  1 and name HE* )   (resid  3 and name HD2 )    7.6  5.8 0.0
assign (resid  1 and name HE* )   (resid  3 and name HD1 )    7.6  5.8 0.0
assign (resid  1 and name HE* )   (resid  5 and name HB2 )    7.6  5.8 0.0
assign (resid  2 and name HN  )   (resid  2 and name HA  )    3.1  1.3 0.0
assign (resid  2 and name HN  )   (resid  2 and name HB* )    6.4  4.6 0.0
assign (resid  2 and name HN  )   (resid  2 and name HD1*)    6.5  4.7 0.0
assign (resid  2 and name HN  )   (resid  2 and name HD2*)    6.5  4.7 0.0
assign (resid  2 and name HN  )   (resid  3 and name HD2 )    4.5  2.7 0.0
assign (resid  2 and name HN  )   (resid  3 and name HD1 )    4.3  2.5 0.0
assign (resid  2 and name HN  )   (resid  5 and name HB2 )    5.5  3.7 0.0
assign (resid  2 and name HN  )   (resid  5 and name HB1 )    5.5  3.7 0.0
assign (resid  2 and name HA  )   (resid  2 and name HB* )    6.4  4.6 0.0
assign (resid  2 and name HA  )   (resid  2 and name HG  )    5.5  3.7 0.0
assign (resid  2 and name HA  )   (resid  2 and name HD1*)    6.5  4.7 0.0
assign (resid  2 and name HA  )   (resid  2 and name HD2*)    6.5  4.7 0.0
assign (resid  2 and name HA  )   (resid  3 and name HD2 )    4.1  2.3 0.0
assign (resid  2 and name HA  )   (resid  3 and name HD1 )    4.0  2.2 0.0
assign (resid  2 and name HA  )   (resid  4 and name HN  )    5.5  3.7 0.0
assign (resid  2 and name HA  )   (resid  5 and name HB1 )    3.2  1.4 0.0
assign (resid  2 and name HA  )   (resid  6 and name HD1*)    6.5  4.7 0.0
assign (resid  2 and name HB* )   (resid  2 and name HG  )    6.4  4.6 0.0
assign (resid  2 and name HB* )   (resid  2 and name HD1*)    7.4  5.6 0.0
assign (resid  2 and name HB* )   (resid  2 and name HD2*)    7.4  5.6 0.0
assign (resid  2 and name HB* )   (resid  4 and name HN  )    6.4  4.6 0.0
assign (resid  2 and name HB* )   (resid  5 and name HN  )    6.4  4.6 0.0
assign (resid  2 and name HG  )   (resid  2 and name HD1*)    6.5  4.7 0.0
assign (resid  2 and name HG  )   (resid  2 and name HD2*)    6.5  4.7 0.0
assign (resid  2 and name HD1*)   (resid  2 and name HD2*)    7.6  5.8 0.0
assign (resid  2 and name HD2*)   (resid  3 and name HB1 )    6.5  4.7 0.0
assign (resid  3 and name HA  )   (resid  6 and name HN  )    5.5  3.7 0.0
assign (resid  3 and name HA  )   (resid  6 and name HG2*)    6.5  4.7 0.0
assign (resid  3 and name HA  )   (resid  6 and name HG12)    5.5  3.7 0.0
assign (resid  3 and name HA  )   (resid  6 and name HD1*)    4.4  2.6 0.0
assign (resid  3 and name HB2 )   (resid  4 and name HD2*)    6.5  4.7 0.0
assign (resid  3 and name HB2 )   (resid  6 and name HD1*)    6.5  4.7 0.0
assign (resid  3 and name HB1 )   (resid  6 and name HD1*)    6.5  4.7 0.0
assign (resid  3 and name HD2 )   (resid  6 and name HD1*)    6.5  4.7 0.0
assign (resid  3 and name HD1 )   (resid  6 and name HN  )    5.5  3.7 0.0
assign (resid  3 and name HD1 )   (resid  6 and name HG2*)    6.5  4.7 0.0
assign (resid  3 and name HD1 )   (resid  6 and name HD1*)    6.5  4.7 0.0
assign (resid  4 and name HN  )   (resid  4 and name HD1*)    6.5  4.7 0.0
assign (resid  4 and name HN  )   (resid  4 and name HD2*)    6.5  4.7 0.0
assign (resid  5 and name HN  )   (resid  5 and name HA  )    5.5  3.7 0.0
assign (resid  5 and name HN  )   (resid  5 and name HB2 )    5.5  3.7 0.0
assign (resid  5 and name HN  )   (resid  5 and name HB1 )    5.5  3.7 0.0
assign (resid  5 and name HN  )   (resid  5 and name HG  )    5.5  3.7 0.0
assign (resid  5 and name HN  )   (resid  5 and name HD1*)    5.4  3.6 0.0
assign (resid  5 and name HN  )   (resid  5 and name HD2*)    5.0  3.2 0.0
assign (resid  5 and name HN  )   (resid  6 and name HN  )    3.5  1.7 0.0
assign (resid  5 and name HN  )   (resid  6 and name HG12)    5.5  3.7 0.0
assign (resid  5 and name HN  )   (resid  6 and name HD1*)    6.5  4.7 0.0
assign (resid  5 and name HN  )   (resid  8 and name HN  )    5.5  3.7 0.0
assign (resid  5 and name HA  )   (resid  5 and name HB2 )    5.5  3.7 0.0
assign (resid  5 and name HA  )   (resid  5 and name HB1 )    5.5  3.7 0.0
assign (resid  5 and name HA  )   (resid  5 and name HG  )    5.5  3.7 0.0
assign (resid  5 and name HA  )   (resid  5 and name HD1*)    3.7  1.9 0.0
assign (resid  5 and name HA  )   (resid  5 and name HD2*)    6.5  4.7 0.0
assign (resid  5 and name HA  )   (resid  6 and name HN  )    5.5  3.7 0.0
assign (resid  5 and name HB2 )   (resid  5 and name HB1 )    5.5  3.7 0.0
assign (resid  5 and name HB2 )   (resid  5 and name HG  )    5.5  3.7 0.0
assign (resid  5 and name HB2 )   (resid  5 and name HD1*)    4.1  2.3 0.0
assign (resid  5 and name HB2 )   (resid  5 and name HD2*)    6.5  4.7 0.0
assign (resid  5 and name HB2 )   (resid  6 and name HN  )    5.5  3.7 0.0
assign (resid  5 and name HB1 )   (resid  5 and name HG  )    4.0  2.2 0.0
assign (resid  5 and name HB1 )   (resid  5 and name HD1*)    6.5  4.7 0.0
assign (resid  5 and name HB1 )   (resid  5 and name HD2*)    6.5  4.7 0.0
assign (resid  5 and name HB1 )   (resid  6 and name HN  )    5.5  3.7 0.0
assign (resid  5 and name HG  )   (resid  5 and name HD1*)    6.5  4.7 0.0
assign (resid  5 and name HG  )   (resid  5 and name HD2*)    6.5  4.7 0.0
assign (resid  5 and name HD1*)   (resid  5 and name HD2*)    7.6  5.8 0.0
assign (resid  6 and name HN  )   (resid  6 and name HA  )    3.2  1.4 0.0
assign (resid  6 and name HN  )   (resid  6 and name HB  )    5.5  3.7 0.0
assign (resid  6 and name HN  )   (resid  6 and name HG2*)    5.9  4.1 0.0
assign (resid  6 and name HN  )   (resid  6 and name HG12)    4.0  2.2 0.0
assign (resid  6 and name HN  )   (resid  6 and name HG11)    5.5  3.7 0.0
assign (resid  6 and name HN  )   (resid  6 and name HD1*)    6.5  4.7 0.0
assign (resid  6 and name HN  )   (resid  7 and name HN  )    3.3  1.5 0.0
assign (resid  6 and name HN  )   (resid  7 and name HB* )    6.4  4.6 0.0
assign (resid  6 and name HA  )   (resid  6 and name HB  )    5.5  3.7 0.0
assign (resid  6 and name HA  )   (resid  6 and name HG2*)    6.5  4.7 0.0
assign (resid  6 and name HA  )   (resid  6 and name HG11)    5.5  3.7 0.0
assign (resid  6 and name HA  )   (resid  6 and name HD1*)    6.5  4.7 0.0
assign (resid  6 and name HA  )   (resid  7 and name HN  )    3.8  2.0 0.0
assign (resid  6 and name HA  )   (resid  8 and name HN  )    5.5  3.7 0.0
assign (resid  6 and name HA  )   (resid  9 and name HN  )    3.7  1.9 0.0
assign (resid  6 and name HA  )   (resid 10 and name HN  )    5.5  3.7 0.0
assign (resid  6 and name HB  )   (resid  6 and name HG2*)    6.5  4.7 0.0
assign (resid  6 and name HB  )   (resid  6 and name HG12)    3.7  1.9 0.0
assign (resid  6 and name HB  )   (resid  6 and name HG11)    5.5  3.7 0.0
assign (resid  6 and name HB  )   (resid  6 and name HD1*)    6.5  4.7 0.0
assign (resid  6 and name HG2*)   (resid  6 and name HG12)    6.5  4.7 0.0
assign (resid  6 and name HG2*)   (resid  6 and name HG11)    6.5  4.7 0.0
assign (resid  6 and name HG2*)   (resid  6 and name HD1*)    7.6  5.8 0.0
assign (resid  6 and name HG2*)   (resid  7 and name HN  )    6.5  4.7 0.0
assign (resid  6 and name HG2*)   (resid  9 and name HN  )    6.5  4.7 0.0
assign (resid  6 and name HG12)   (resid  6 and name HG11)    5.5  3.7 0.0
assign (resid  6 and name HG12)   (resid  6 and name HD1*)    4.1  2.3 0.0
assign (resid  6 and name HG11)   (resid  6 and name HD1*)    6.5  4.7 0.0
assign (resid  6 and name HG11)   (resid  7 and name HN  )    5.5  3.7 0.0
assign (resid  6 and name HD1*)   (resid  7 and name HN  )    6.5  4.7 0.0
assign (resid  7 and name HN  )   (resid  7 and name HA  )    3.0  1.2 0.0
assign (resid  7 and name HN  )   (resid  7 and name HB* )    3.7  1.9 0.0
assign (resid  7 and name HN  )   (resid  8 and name HN  )    3.4  1.6 0.0
assign (resid  7 and name HN  )   (resid 10 and name HG  )    5.5  3.7 0.0
assign (resid  7 and name HA  )   (resid  7 and name HB* )    3.7  1.9 0.0
assign (resid  7 and name HA  )   (resid  7 and name HD* )    5.5  3.7 0.0
assign (resid  7 and name HA  )   (resid  8 and name HN  )    3.6  1.8 0.0
assign (resid  7 and name HB* )   (resid  7 and name HD* )    8.5  6.7 0.0
assign (resid  7 and name HB* )   (resid  8 and name HN  )    4.0  2.2 0.0
assign (resid  7 and name HB* )   (resid  9 and name HN  )    6.4  4.6 0.0
assign (resid  7 and name HB* )   (resid 10 and name HN  )    6.4  4.6 0.0
assign (resid  7 and name HD* )   (resid  8 and name HN  )    7.6  5.8 0.0
assign (resid  8 and name HN  )   (resid  8 and name HA2 )    2.6  0.8 0.0
assign (resid  8 and name HN  )   (resid  8 and name HA1 )    2.8  1.0 0.0
assign (resid  8 and name HN  )   (resid  9 and name HN  )    3.4  1.6 0.0
assign (resid  8 and name HN  )   (resid 10 and name HN  )    5.5  3.7 0.0
assign (resid  8 and name HA2 )   (resid  8 and name HA1 )    5.5  3.7 0.0
assign (resid  8 and name HA2 )   (resid  9 and name HN  )    3.4  1.6 0.0
assign (resid  8 and name HA2 )   (resid 10 and name HN  )    5.5  3.7 0.0
assign (resid  8 and name HA1 )   (resid  9 and name HN  )    3.6  1.8 0.0
assign (resid  9 and name HN  )   (resid  9 and name HA  )    3.0  1.2 0.0
assign (resid  9 and name HN  )   (resid  9 and name HB2 )    3.1  1.3 0.0
assign (resid  9 and name HN  )   (resid  9 and name HB1 )    3.2  1.4 0.0
assign (resid  9 and name HN  )   (resid 10 and name HB2 )    5.5  3.7 0.0
assign (resid  9 and name HN  )   (resid 10 and name HB1 )    5.5  3.7 0.0
assign (resid  9 and name HA  )   (resid  9 and name HB2 )    3.5  1.7 0.0
assign (resid  9 and name HA  )   (resid  9 and name HB1 )    3.3  1.5 0.0
assign (resid  9 and name HB2 )   (resid  9 and name HB1 )    2.7  0.9 0.0
assign (resid  9 and name HB1 )   (resid 10 and name HN  )    3.9  2.1 0.0
assign (resid 10 and name HN  )   (resid 10 and name HA  )    5.5  3.7 0.0
assign (resid 10 and name HN  )   (resid 10 and name HB1 )    5.5  3.7 0.0
assign (resid 10 and name HN  )   (resid 10 and name HD* )    7.6  5.8 0.0
assign (resid 10 and name HA  )   (resid 10 and name HB2 )    3.2  1.4 0.0
assign (resid 10 and name HA  )   (resid 10 and name HB1 )    5.5  3.7 0.0
assign (resid 10 and name HA  )   (resid 10 and name HG  )    5.5  3.7 0.0
assign (resid 10 and name HA  )   (resid 10 and name HD* )    7.6  5.8 0.0
assign (resid 10 and name HA  )   (resid 13 and name HN  )    5.5  3.7 0.0
assign (resid 10 and name HA  )   (resid 15 and name HD* )    6.4  4.6 0.0
assign (resid 10 and name HB2 )   (resid 10 and name HG  )    2.4  0.6 0.0
assign (resid 10 and name HB2 )   (resid 10 and name HD* )    7.6  5.8 0.0
assign (resid 10 and name HB1 )   (resid 10 and name HG  )    2.6  0.8 0.0
assign (resid 10 and name HG  )   (resid 10 and name HD* )    7.6  5.8 0.0
assign (resid 11 and name HN  )   (resid 12 and name HN  )    3.2  1.4 0.0
assign (resid 11 and name HB2 )   (resid 12 and name HN  )    5.5  3.7 0.0
assign (resid 11 and name HD* )   (resid 12 and name HG2 )    7.6  5.8 0.0
assign (resid 12 and name HN  )   (resid 12 and name HA  )    3.6  1.8 0.0
assign (resid 12 and name HN  )   (resid 12 and name HB* )    3.8  2.0 0.0
assign (resid 12 and name HN  )   (resid 12 and name HG2 )    4.3  2.5 0.0
assign (resid 12 and name HN  )   (resid 12 and name HG1 )    3.8  2.0 0.0
assign (resid 12 and name HN  )   (resid 13 and name HN  )    3.5  1.7 0.0
assign (resid 12 and name HA  )   (resid 12 and name HB* )    6.4  4.6 0.0
assign (resid 12 and name HA  )   (resid 12 and name HG2 )    4.1  2.3 0.0
assign (resid 12 and name HA  )   (resid 12 and name HG1 )    3.9  2.1 0.0
assign (resid 12 and name HB* )   (resid 12 and name HG2 )    4.0  2.2 0.0
assign (resid 12 and name HB* )   (resid 12 and name HG1 )    6.4  4.6 0.0
assign (resid 12 and name HB* )   (resid 13 and name HN  )    4.7  2.9 0.0
assign (resid 12 and name HG2 )   (resid 12 and name HG1 )    2.5  0.7 0.0
assign (resid 12 and name HG2 )   (resid 13 and name HN  )    5.5  3.7 0.0
assign (resid 12 and name HG1 )   (resid 13 and name HN  )    5.5  3.7 0.0
assign (resid 13 and name HN  )   (resid 13 and name HA  )    2.7  0.9 0.0
assign (resid 13 and name HN  )   (resid 13 and name HB  )    3.1  1.3 0.0
assign (resid 13 and name HN  )   (resid 13 and name HG2*)    4.7  2.9 0.0
assign (resid 13 and name HN  )   (resid 14 and name HD1 )    4.5  2.7 0.0
assign (resid 13 and name HA  )   (resid 13 and name HB  )    4.1  2.3 0.0
assign (resid 13 and name HA  )   (resid 13 and name HG2*)    3.8  2.0 0.0
assign (resid 13 and name HA  )   (resid 14 and name HG2 )    5.5  3.7 0.0
assign (resid 13 and name HA  )   (resid 14 and name HD2 )    3.6  1.8 0.0
assign (resid 13 and name HA  )   (resid 14 and name HD1 )    3.6  1.8 0.0
assign (resid 13 and name HA  )   (resid 16 and name HG1*)    6.5  4.7 0.0
assign (resid 13 and name HA  )   (resid 16 and name HG2*)    6.5  4.7 0.0
assign (resid 13 and name HB  )   (resid 13 and name HG2*)    3.6  1.8 0.0
assign (resid 13 and name HB  )   (resid 14 and name HD2 )    4.1  2.3 0.0
assign (resid 13 and name HB  )   (resid 14 and name HD1 )    5.5  3.7 0.0
assign (resid 13 and name HB  )   (resid 16 and name HG1*)    6.1  4.3 0.0
assign (resid 13 and name HG2*)   (resid 14 and name HA  )    6.5  4.7 0.0
assign (resid 13 and name HG2*)   (resid 14 and name HB2 )    6.3  4.5 0.0
assign (resid 13 and name HG2*)   (resid 14 and name HG1 )    6.5  4.7 0.0
assign (resid 13 and name HG2*)   (resid 14 and name HD2 )    4.7  2.9 0.0
assign (resid 13 and name HG2*)   (resid 14 and name HD1 )    4.7  2.9 0.0
assign (resid 13 and name HG2*)   (resid 16 and name HN  )    6.5  4.7 0.0
assign (resid 13 and name HG2*)   (resid 16 and name HA  )    6.5  4.7 0.0
assign (resid 13 and name HG2*)   (resid 16 and name HB  )    5.6  3.8 0.0
assign (resid 13 and name HG2*)   (resid 16 and name HG1*)    7.6  5.8 0.0
assign (resid 13 and name HG2*)   (resid 17 and name HG1*)    7.4  5.6 0.0
assign (resid 14 and name HA  )   (resid 15 and name HG2 )    5.5  3.7 0.0
assign (resid 14 and name HA  )   (resid 15 and name HD* )    5.2  3.4 0.0
assign (resid 14 and name HA  )   (resid 16 and name HN  )    5.5  3.7 0.0
assign (resid 14 and name HB1 )   (resid 15 and name HD* )    6.4  4.6 0.0
assign (resid 14 and name HB1 )   (resid 16 and name HN  )    5.5  3.7 0.0
assign (resid 14 and name HG2 )   (resid 15 and name HD* )    6.3  4.5 0.0
assign (resid 14 and name HD2 )   (resid 15 and name HD* )    6.4  4.6 0.0
assign (resid 15 and name HA  )   (resid 16 and name HN  )    3.5  1.7 0.0
assign (resid 15 and name HA  )   (resid 18 and name HB* )    6.4  4.6 0.0
assign (resid 15 and name HB2 )   (resid 16 and name HN  )    4.3  2.5 0.0
assign (resid 15 and name HB1 )   (resid 16 and name HN  )    5.5  3.7 0.0
assign (resid 15 and name HG2 )   (resid 15 and name HG1 )    2.5  0.7 0.0
assign (resid 15 and name HG2 )   (resid 16 and name HN  )    5.5  3.7 0.0
assign (resid 15 and name HG1 )   (resid 15 and name HD* )    4.2  2.4 0.0
assign (resid 15 and name HD* )   (resid 16 and name HN  )    5.8  4.0 0.0
assign (resid 16 and name HN  )   (resid 16 and name HA  )    3.1  1.3 0.0
assign (resid 16 and name HN  )   (resid 16 and name HB  )    5.5  3.7 0.0
assign (resid 16 and name HN  )   (resid 16 and name HG1*)    6.5  4.7 0.0
assign (resid 16 and name HN  )   (resid 16 and name HG2*)    6.5  4.7 0.0
assign (resid 16 and name HN  )   (resid 17 and name HN  )    4.5  2.7 0.0
assign (resid 16 and name HN  )   (resid 19 and name HN  )    4.7  2.9 0.0
assign (resid 16 and name HN  )   (resid 19 and name HB* )    6.5  4.7 0.0
assign (resid 16 and name HA  )   (resid 16 and name HB  )    3.0  1.2 0.0
assign (resid 16 and name HA  )   (resid 16 and name HG1*)    3.8  2.0 0.0
assign (resid 16 and name HA  )   (resid 16 and name HG2*)    3.8  2.0 0.0
assign (resid 16 and name HA  )   (resid 17 and name HN  )    4.3  2.5 0.0
assign (resid 16 and name HA  )   (resid 17 and name HG1*)    6.4  4.6 0.0
assign (resid 16 and name HA  )   (resid 19 and name HN  )    3.4  1.6 0.0
assign (resid 16 and name HA  )   (resid 19 and name HA  )    5.5  3.7 0.0
assign (resid 16 and name HA  )   (resid 19 and name HB* )    6.5  4.7 0.0
assign (resid 16 and name HA  )   (resid 21 and name HN  )    5.5  3.7 0.0
assign (resid 16 and name HB  )   (resid 16 and name HG1*)    3.6  1.8 0.0
assign (resid 16 and name HB  )   (resid 16 and name HG2*)    3.6  1.8 0.0
assign (resid 16 and name HB  )   (resid 17 and name HN  )    3.3  1.5 0.0
assign (resid 16 and name HB  )   (resid 17 and name HG1*)    6.4  4.6 0.0
assign (resid 16 and name HG1*)   (resid 16 and name HG2*)    7.6  5.8 0.0
assign (resid 16 and name HG1*)   (resid 17 and name HN  )    5.9  4.1 0.0
assign (resid 16 and name HG1*)   (resid 17 and name HG1*)    7.4  5.6 0.0
assign (resid 16 and name HG1*)   (resid 19 and name HN  )    6.5  4.7 0.0
assign (resid 16 and name HG1*)   (resid 19 and name HB* )    6.4  4.6 0.0
assign (resid 16 and name HG2*)   (resid 17 and name HN  )    6.5  4.7 0.0
assign (resid 16 and name HG2*)   (resid 17 and name HB  )    6.5  4.7 0.0
assign (resid 16 and name HG2*)   (resid 17 and name HG1*)    7.4  5.6 0.0
assign (resid 16 and name HG2*)   (resid 19 and name HN  )    6.5  4.7 0.0
assign (resid 16 and name HG2*)   (resid 19 and name HB* )    7.6  5.8 0.0
assign (resid 17 and name HN  )   (resid 17 and name HA  )    3.9  2.1 0.0
assign (resid 17 and name HN  )   (resid 17 and name HB  )    5.5  3.7 0.0
assign (resid 17 and name HN  )   (resid 17 and name HG2*)    6.5  4.7 0.0
assign (resid 17 and name HN  )   (resid 17 and name HG1*)    6.4  4.6 0.0
assign (resid 17 and name HN  )   (resid 17 and name HD1*)    6.5  4.7 0.0
assign (resid 17 and name HA  )   (resid 17 and name HB  )    5.5  3.7 0.0
assign (resid 17 and name HA  )   (resid 17 and name HG2*)    6.5  4.7 0.0
assign (resid 17 and name HA  )   (resid 17 and name HG1*)    6.4  4.6 0.0
assign (resid 17 and name HA  )   (resid 19 and name HN  )    5.5  3.7 0.0
assign (resid 17 and name HB  )   (resid 17 and name HG2*)    6.5  4.7 0.0
assign (resid 17 and name HB  )   (resid 17 and name HD1*)    4.2  2.4 0.0
assign (resid 17 and name HB  )   (resid 18 and name HE21)    5.5  3.7 0.0
assign (resid 17 and name HD1*)   (resid 18 and name HB* )    7.4  5.6 0.0
assign (resid 17 and name HD1*)   (resid 18 and name HE21)    6.5  4.7 0.0
assign (resid 18 and name HN  )   (resid 18 and name HA  )    4.8  3.0 0.0
assign (resid 18 and name HN  )   (resid 18 and name HB* )    6.4  4.6 0.0
assign (resid 18 and name HN  )   (resid 18 and name HG2 )    3.5  1.7 0.0
assign (resid 18 and name HN  )   (resid 18 and name HG1 )    5.5  3.7 0.0
assign (resid 18 and name HN  )   (resid 22 and name HN  )    5.5  3.7 0.0
assign (resid 18 and name HA  )   (resid 18 and name HB* )    3.9  2.1 0.0
assign (resid 18 and name HA  )   (resid 18 and name HG2 )    4.8  3.0 0.0
assign (resid 18 and name HA  )   (resid 18 and name HG1 )    5.2  3.4 0.0
assign (resid 18 and name HA  )   (resid 19 and name HN  )    4.2  2.4 0.0
assign (resid 18 and name HA  )   (resid 20 and name HD1*)    5.3  3.5 0.0
assign (resid 18 and name HA  )   (resid 21 and name HN  )    3.6  1.8 0.0
assign (resid 18 and name HA  )   (resid 21 and name HD2 )    5.5  3.7 0.0
assign (resid 18 and name HA  )   (resid 22 and name HN  )    3.8  2.0 0.0
assign (resid 18 and name HB* )   (resid 18 and name HG2 )    6.4  4.6 0.0
assign (resid 18 and name HB* )   (resid 18 and name HG1 )    6.4  4.6 0.0
assign (resid 18 and name HB* )   (resid 19 and name HN  )    4.1  2.3 0.0
assign (resid 18 and name HB* )   (resid 19 and name HB* )    6.9  5.1 0.0
assign (resid 18 and name HB* )   (resid 21 and name HN  )    6.4  4.6 0.0
assign (resid 18 and name HB* )   (resid 22 and name HN  )    6.4  4.6 0.0
assign (resid 18 and name HG2 )   (resid 18 and name HG1 )    5.5  3.7 0.0
assign (resid 18 and name HG2 )   (resid 18 and name HE22)    5.4  3.6 0.0
assign (resid 18 and name HG2 )   (resid 19 and name HN  )    5.5  3.7 0.0
assign (resid 18 and name HG1 )   (resid 18 and name HE22)    5.5  3.7 0.0
assign (resid 18 and name HG1 )   (resid 19 and name HN  )    5.5  3.7 0.0
assign (resid 18 and name HE21)   (resid 18 and name HE22)    2.8  1.0 0.0
assign (resid 19 and name HN  )   (resid 19 and name HA  )    3.0  1.2 0.0
assign (resid 19 and name HN  )   (resid 19 and name HB* )    3.8  2.0 0.0
assign (resid 19 and name HN  )   (resid 20 and name HN  )    3.7  1.9 0.0
assign (resid 19 and name HA  )   (resid 19 and name HB* )    6.5  4.7 0.0
assign (resid 19 and name HA  )   (resid 20 and name HN  )    3.7  1.9 0.0
assign (resid 19 and name HA  )   (resid 22 and name HN  )    3.5  1.7 0.0
assign (resid 19 and name HA  )   (resid 22 and name HB1 )    5.5  3.7 0.0
assign (resid 19 and name HB* )   (resid 20 and name HN  )    4.5  2.7 0.0
assign (resid 19 and name HB* )   (resid 22 and name HN  )    6.5  4.7 0.0
assign (resid 20 and name HN  )   (resid 20 and name HA  )    2.9  1.1 0.0
assign (resid 20 and name HN  )   (resid 20 and name HG2*)    4.8  3.0 0.0
assign (resid 20 and name HN  )   (resid 20 and name HG1*)    5.1  3.3 0.0
assign (resid 20 and name HN  )   (resid 20 and name HD1*)    4.5  2.7 0.0
assign (resid 20 and name HA  )   (resid 20 and name HB  )    5.5  3.7 0.0
assign (resid 20 and name HA  )   (resid 20 and name HG2*)    6.5  4.7 0.0
assign (resid 20 and name HA  )   (resid 20 and name HG1*)    4.0  2.2 0.0
assign (resid 20 and name HA  )   (resid 20 and name HD1*)    6.5  4.7 0.0
assign (resid 20 and name HA  )   (resid 22 and name HN  )    5.5  3.7 0.0
assign (resid 20 and name HA  )   (resid 23 and name HN  )    3.5  1.7 0.0
assign (resid 20 and name HA  )   (resid 24 and name HN  )    4.3  2.5 0.0
assign (resid 20 and name HB  )   (resid 20 and name HG2*)    6.5  4.7 0.0
assign (resid 20 and name HB  )   (resid 20 and name HG1*)    3.8  2.0 0.0
assign (resid 20 and name HB  )   (resid 20 and name HD1*)    6.5  4.7 0.0
assign (resid 20 and name HG2*)   (resid 20 and name HG1*)    5.3  3.5 0.0
assign (resid 20 and name HG2*)   (resid 21 and name HA  )    6.5  4.7 0.0
assign (resid 20 and name HG1*)   (resid 20 and name HD1*)    7.4  5.6 0.0
assign (resid 20 and name HD1*)   (resid 22 and name HN  )    6.5  4.7 0.0
assign (resid 20 and name HD1*)   (resid 24 and name HB* )    7.4  5.6 0.0
assign (resid 20 and name HD1*)   (resid 24 and name HG2 )    5.3  3.5 0.0
assign (resid 20 and name HD1*)   (resid 24 and name HG1 )    6.5  4.7 0.0
assign (resid 20 and name HD1*)   (resid 24 and name HE21)    6.5  4.7 0.0
assign (resid 21 and name HN  )   (resid 21 and name HA  )    3.0  1.2 0.0
assign (resid 21 and name HN  )   (resid 21 and name HB2 )    3.0  1.2 0.0
assign (resid 21 and name HN  )   (resid 21 and name HB1 )    2.9  1.1 0.0
assign (resid 21 and name HN  )   (resid 21 and name HD2 )    5.5  3.7 0.0
assign (resid 21 and name HN  )   (resid 22 and name HN  )    3.3  1.5 0.0
assign (resid 21 and name HN  )   (resid 22 and name HA  )    5.5  3.7 0.0
assign (resid 21 and name HN  )   (resid 23 and name HN  )    5.5  3.7 0.0
assign (resid 21 and name HA  )   (resid 21 and name HB2 )    3.1  1.3 0.0
assign (resid 21 and name HA  )   (resid 21 and name HB1 )    3.0  1.2 0.0
assign (resid 21 and name HA  )   (resid 22 and name HN  )    3.9  2.1 0.0
assign (resid 21 and name HA  )   (resid 23 and name HN  )    5.5  3.7 0.0
assign (resid 21 and name HA  )   (resid 24 and name HN  )    4.0  2.2 0.0
assign (resid 21 and name HA  )   (resid 24 and name HE21)    5.5  3.7 0.0
assign (resid 21 and name HB2 )   (resid 21 and name HB1 )    5.5  3.7 0.0
assign (resid 21 and name HB2 )   (resid 21 and name HD2 )    4.0  2.2 0.0
assign (resid 21 and name HB1 )   (resid 21 and name HD2 )    3.9  2.1 0.0
assign (resid 21 and name HB1 )   (resid 22 and name HN  )    3.3  1.5 0.0
assign (resid 21 and name HD2 )   (resid 21 and name HE1 )    5.5  3.7 0.0
assign (resid 21 and name HD2 )   (resid 22 and name HA  )    5.5  3.7 0.0
assign (resid 21 and name HE1 )   (resid 22 and name HA  )    5.5  3.7 0.0
assign (resid 21 and name HE1 )   (resid 25 and name HD* )    6.4  4.6 0.0
assign (resid 22 and name HN  )   (resid 22 and name HA  )    3.0  1.2 0.0
assign (resid 22 and name HN  )   (resid 22 and name HB2 )    2.9  1.1 0.0
assign (resid 22 and name HN  )   (resid 22 and name HB1 )    3.1  1.3 0.0
assign (resid 22 and name HN  )   (resid 23 and name HN  )    3.3  1.5 0.0
assign (resid 22 and name HN  )   (resid 23 and name HB* )    6.5  4.7 0.0
assign (resid 22 and name HA  )   (resid 22 and name HB2 )    3.1  1.3 0.0
assign (resid 22 and name HA  )   (resid 22 and name HB1 )    2.8  1.0 0.0
assign (resid 22 and name HA  )   (resid 23 and name HN  )    3.4  1.6 0.0
assign (resid 22 and name HA  )   (resid 23 and name HB* )    6.5  4.7 0.0
assign (resid 22 and name HA  )   (resid 24 and name HN  )    4.7  2.9 0.0
assign (resid 22 and name HA  )   (resid 25 and name HN  )    3.8  2.0 0.0
assign (resid 22 and name HA  )   (resid 25 and name HG2 )    5.2  3.5 0.0
assign (resid 22 and name HA  )   (resid 25 and name HG1 )    5.5  3.7 0.0
assign (resid 22 and name HA  )   (resid 25 and name HD* )    6.4  4.6 0.0
assign (resid 22 and name HA  )   (resid 25 and name HE  )    5.5  3.7 0.0
assign (resid 22 and name HB2 )   (resid 22 and name HB1 )    2.4  0.6 0.0
assign (resid 22 and name HB2 )   (resid 23 and name HN  )    3.3  1.5 0.0
assign (resid 22 and name HB2 )   (resid 23 and name HB* )    6.5  4.7 0.0
assign (resid 22 and name HB1 )   (resid 23 and name HN  )    3.5  1.7 0.0
assign (resid 22 and name HB1 )   (resid 23 and name HB* )    6.5  4.7 0.0
assign (resid 23 and name HN  )   (resid 23 and name HA  )    2.8  1.0 0.0
assign (resid 23 and name HN  )   (resid 23 and name HB* )    3.7  1.9 0.0
assign (resid 23 and name HN  )   (resid 24 and name HN  )    3.2  1.4 0.0
assign (resid 23 and name HA  )   (resid 23 and name HB* )    6.5  4.7 0.0
assign (resid 23 and name HA  )   (resid 24 and name HN  )    5.5  3.7 0.0
assign (resid 23 and name HB* )   (resid 24 and name HN  )    6.5  4.7 0.0
assign (resid 23 and name HB* )   (resid 24 and name HG2 )    6.5  4.7 0.0
assign (resid 23 and name HB* )   (resid 25 and name HN  )    6.5  4.7 0.0
assign (resid 23 and name HB* )   (resid 25 and name HE  )    6.5  4.7 0.0
assign (resid 24 and name HN  )   (resid 24 and name HA  )    5.5  3.7 0.0
assign (resid 24 and name HN  )   (resid 24 and name HB* )    3.9  2.1 0.0
assign (resid 24 and name HN  )   (resid 24 and name HG2 )    3.5  1.7 0.0
assign (resid 24 and name HN  )   (resid 24 and name HG1 )    3.8  2.0 0.0
assign (resid 24 and name HN  )   (resid 25 and name HN  )    3.3  1.5 0.0
assign (resid 24 and name HN  )   (resid 25 and name HB2 )    5.5  3.7 0.0
assign (resid 24 and name HA  )   (resid 24 and name HB* )    3.7  1.9 0.0
assign (resid 24 and name HA  )   (resid 24 and name HG2 )    3.8  2.0 0.0
assign (resid 24 and name HA  )   (resid 24 and name HG1 )    3.3  1.5 0.0
assign (resid 24 and name HA  )   (resid 24 and name HE21)    5.5  3.7 0.0
assign (resid 24 and name HA  )   (resid 24 and name HE22)    5.5  3.7 0.0
assign (resid 24 and name HA  )   (resid 25 and name HN  )    3.5  1.7 0.0
assign (resid 24 and name HA  )   (resid 25 and name HE  )    5.5  3.7 0.0
assign (resid 24 and name HB* )   (resid 24 and name HG2 )    6.4  4.6 0.0
assign (resid 24 and name HB* )   (resid 24 and name HG1 )    6.4  4.6 0.0
assign (resid 24 and name HB* )   (resid 24 and name HE21)    6.4  4.6 0.0
assign (resid 24 and name HB* )   (resid 24 and name HE22)    6.4  4.6 0.0
assign (resid 24 and name HG2 )   (resid 24 and name HG1 )    2.4  0.6 0.0
assign (resid 24 and name HG2 )   (resid 24 and name HE21)    4.7  2.9 0.0
assign (resid 24 and name HG2 )   (resid 24 and name HE22)    5.5  3.7 0.0
assign (resid 24 and name HG1 )   (resid 24 and name HE21)    3.9  2.1 0.0
assign (resid 24 and name HG1 )   (resid 24 and name HE22)    5.5  3.7 0.0
assign (resid 24 and name HE21)   (resid 24 and name HE22)    3.1  1.3 0.0
assign (resid 25 and name HN  )   (resid 25 and name HA  )    5.5  3.7 0.0
assign (resid 25 and name HN  )   (resid 25 and name HB2 )    5.5  3.7 0.0
assign (resid 25 and name HN  )   (resid 25 and name HB1 )    5.5  3.7 0.0
assign (resid 25 and name HN  )   (resid 25 and name HG2 )    5.5  3.7 0.0
assign (resid 25 and name HN  )   (resid 25 and name HG1 )    5.5  3.7 0.0
assign (resid 25 and name HN  )   (resid 25 and name HD* )    6.4  4.6 0.0
assign (resid 25 and name HA  )   (resid 25 and name HB2 )    5.5  3.7 0.0
assign (resid 25 and name HA  )   (resid 25 and name HB1 )    5.5  3.7 0.0
assign (resid 25 and name HA  )   (resid 25 and name HG2 )    5.5  3.7 0.0
assign (resid 25 and name HA  )   (resid 25 and name HG1 )    5.5  3.7 0.0
assign (resid 25 and name HA  )   (resid 25 and name HD* )    6.3  4.5 0.0
assign (resid 25 and name HA  )   (resid 25 and name HE  )    5.5  3.7 0.0
assign (resid 25 and name HB2 )   (resid 25 and name HB1 )    5.5  3.7 0.0
assign (resid 25 and name HB2 )   (resid 25 and name HG2 )    5.5  3.7 0.0
assign (resid 25 and name HB2 )   (resid 25 and name HG1 )    5.5  3.7 0.0
assign (resid 25 and name HB2 )   (resid 25 and name HD* )    5.2  3.4 0.0
assign (resid 25 and name HB2 )   (resid 25 and name HE  )    5.5  3.7 0.0
assign (resid 25 and name HB1 )   (resid 25 and name HG2 )    5.5  3.7 0.0
assign (resid 25 and name HB1 )   (resid 25 and name HG1 )    5.5  3.7 0.0
assign (resid 25 and name HB1 )   (resid 25 and name HD* )    5.5  3.7 0.0
assign (resid 25 and name HB1 )   (resid 25 and name HE  )    5.5  3.7 0.0
assign (resid 25 and name HG2 )   (resid 25 and name HG1 )    5.5  3.7 0.0
assign (resid 25 and name HG2 )   (resid 25 and name HD* )    4.6  2.8 0.0
assign (resid 25 and name HG2 )   (resid 25 and name HE  )    5.5  3.7 0.0
assign (resid 25 and name HG1 )   (resid 25 and name HD* )    4.5  2.7 0.0
assign (resid 25 and name HG1 )   (resid 25 and name HE  )    5.5  3.7 0.0
assign (resid 25 and name HD* )   (resid 25 and name HE  )    5.3  3.5 0.0




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    PHE   1           HN       PHE   1   1.884   0.000   0.829
    2    HA   PHE   1           HA       PHE   1   2.678   0.907  -1.259
    3   1HB   PHE   1          2HB       PHE   1   3.571  -1.258  -2.130
    4   2HB   PHE   1          3HB       PHE   1   3.542  -1.305  -0.379
    5    HD1  PHE   1           HD1      PHE   1   2.589  -2.982  -3.335
    6    HD2  PHE   1           HD2      PHE   1   1.417  -2.375   0.698
    7    HE1  PHE   1           HE1      PHE   1   1.225  -5.088  -3.414
    8    HE2  PHE   1           HE2      PHE   1   0.053  -4.480   0.619
    9    HZ   PHE   1           HZ       PHE   1  -0.026  -5.812  -1.436
   10    H    LEU   2           HN       LEU   2   2.538  -0.959  -3.608
   11    HA   LEU   2           HA       LEU   2   1.093   0.149  -5.399
   12   1HB   LEU   2          2HB       LEU   2   2.234  -2.010  -5.652
   13   2HB   LEU   2          3HB       LEU   2   0.892  -2.818  -4.866
   14    HG   LEU   2           HG       LEU   2  -0.595  -1.967  -6.731
   15   1HD1  LEU   2          1HD1      LEU   2   2.076  -1.064  -7.790
   16   2HD1  LEU   2          2HD1      LEU   2   0.732  -1.471  -8.883
   17   3HD1  LEU   2          3HD1      LEU   2   0.541  -0.169  -7.685
   18   1HD2  LEU   2          1HD2      LEU   2   0.407  -3.635  -8.423
   19   2HD2  LEU   2          2HD2      LEU   2   1.637  -3.941  -7.173
   20   3HD2  LEU   2          3HD2      LEU   2  -0.083  -4.238  -6.821
   21    HA   PRO   3           HA       PRO   3  -3.112  -1.314  -3.862
   22   1HB   PRO   3          2HB       PRO   3  -3.346  -2.769  -1.561
   23   2HB   PRO   3          3HB       PRO   3  -3.256  -3.500  -3.151
   24   1HG   PRO   3          2HG       PRO   3  -1.173  -3.354  -1.059
   25   2HG   PRO   3          3HG       PRO   3  -1.261  -4.418  -2.448
   26   1HD   PRO   3          2HD       PRO   3   0.399  -2.095  -2.167
   27   2HD   PRO   3          3HD       PRO   3   0.225  -3.092  -3.598
   28    H    LEU   4           HN       LEU   4  -1.270  -0.934  -0.866
   29    HA   LEU   4           HA       LEU   4  -3.234   0.636   0.349
   30   1HB   LEU   4          2HB       LEU   4  -0.345   0.050   0.827
   31   2HB   LEU   4          3HB       LEU   4  -1.092   1.367   1.709
   32    HG   LEU   4           HG       LEU   4  -2.880  -0.317   2.431
   33   1HD1  LEU   4          1HD1      LEU   4  -0.863  -2.189   1.194
   34   2HD1  LEU   4          2HD1      LEU   4  -1.978  -2.705   2.481
   35   3HD1  LEU   4          3HD1      LEU   4  -2.622  -2.107   0.933
   36   1HD2  LEU   4          1HD2      LEU   4  -0.023  -0.669   3.377
   37   2HD2  LEU   4          2HD2      LEU   4  -1.194   0.541   3.954
   38   3HD2  LEU   4          3HD2      LEU   4  -1.480  -1.189   4.257
   39    H    LEU   5           HN       LEU   5  -0.530   1.394  -1.858
   40    HA   LEU   5           HA       LEU   5  -0.494   4.153  -1.398
   41   1HB   LEU   5          2HB       LEU   5   0.577   2.246  -3.369
   42   2HB   LEU   5          3HB       LEU   5   0.329   3.868  -3.984
   43    HG   LEU   5           HG       LEU   5   2.621   3.461  -3.141
   44   1HD1  LEU   5          1HD1      LEU   5   1.538   5.505  -1.266
   45   2HD1  LEU   5          2HD1      LEU   5   2.887   5.599  -2.424
   46   3HD1  LEU   5          3HD1      LEU   5   1.208   5.720  -3.002
   47   1HD2  LEU   5          1HD2      LEU   5   1.829   1.935  -1.261
   48   2HD2  LEU   5          2HD2      LEU   5   3.135   3.080  -0.876
   49   3HD2  LEU   5          3HD2      LEU   5   1.469   3.421  -0.350
   50    H    ILE   6           HN       ILE   6  -2.111   2.209  -4.010
   51    HA   ILE   6           HA       ILE   6  -3.439   4.426  -5.095
   52    HB   ILE   6           HB       ILE   6  -4.791   2.732  -6.258
   53   1HG1  ILE   6          2HG1      ILE   6  -3.309   0.764  -4.490
   54   2HG1  ILE   6          3HG1      ILE   6  -5.031   1.088  -4.478
   55   1HG2  ILE   6          1HG2      ILE   6  -2.057   3.256  -6.490
   56   2HG2  ILE   6          2HG2      ILE   6  -2.201   1.488  -6.641
   57   3HG2  ILE   6          3HG2      ILE   6  -3.131   2.553  -7.723
   58   1HD1  ILE   6          1HD1      ILE   6  -3.401  -0.176  -6.720
   59   2HD1  ILE   6          2HD1      ILE   6  -4.730  -0.907  -5.788
   60   3HD1  ILE   6          3HD1      ILE   6  -5.071   0.396  -6.951
   61    H    LEU   7           HN       LEU   7  -4.232   2.107  -2.483
   62    HA   LEU   7           HA       LEU   7  -6.931   2.811  -2.253
   63   1HB   LEU   7          2HB       LEU   7  -6.005   0.771  -1.345
   64   2HB   LEU   7          3HB       LEU   7  -4.971   1.674  -0.257
   65    HG   LEU   7           HG       LEU   7  -7.036   2.580   0.855
   66   1HD1  LEU   7          1HD1      LEU   7  -8.730   2.382  -0.758
   67   2HD1  LEU   7          2HD1      LEU   7  -8.370   0.664  -1.057
   68   3HD1  LEU   7          3HD1      LEU   7  -9.128   1.161   0.475
   69   1HD2  LEU   7          1HD2      LEU   7  -5.701   0.663   1.724
   70   2HD2  LEU   7          2HD2      LEU   7  -7.417   0.627   2.197
   71   3HD2  LEU   7          3HD2      LEU   7  -6.828  -0.441   0.901
   72    H    GLY   8           HN       GLY   8  -3.981   3.974  -0.489
   73   1HA   GLY   8          1HA       GLY   8  -5.218   5.809   1.173
   74   2HA   GLY   8          2HA       GLY   8  -3.575   5.912   0.574
   75    H    SER   9           HN       SER   9  -4.099   6.145  -2.252
   76    HA   SER   9           HA       SER   9  -5.031   8.874  -2.230
   77   1HB   SER   9          2HB       SER   9  -2.838   8.239  -3.295
   78   2HB   SER   9          3HB       SER   9  -3.711   7.271  -4.466
   79    HG   SER   9           HG       SER   9  -4.623   9.109  -5.377
   80    H    LEU  10           HN       LEU  10  -6.854   6.443  -2.015
   81    HA   LEU  10           HA       LEU  10  -8.275   6.654  -4.561
   82   1HB   LEU  10          2HB       LEU  10  -7.572   4.466  -3.154
   83   2HB   LEU  10          3HB       LEU  10  -9.152   4.764  -2.456
   84    HG   LEU  10           HG       LEU  10  -9.261   3.164  -4.298
   85   1HD1  LEU  10          1HD1      LEU  10 -10.596   5.735  -5.166
   86   2HD1  LEU  10          2HD1      LEU  10 -11.146   4.062  -5.426
   87   3HD1  LEU  10          3HD1      LEU  10 -11.149   4.756  -3.787
   88   1HD2  LEU  10          1HD2      LEU  10  -8.695   5.217  -6.374
   89   2HD2  LEU  10          2HD2      LEU  10  -7.302   4.526  -5.509
   90   3HD2  LEU  10          3HD2      LEU  10  -8.424   3.458  -6.385
   91    H    LEU  11           HN       LEU  11  -8.656   9.002  -3.707
   92    HA   LEU  11           HA       LEU  11 -11.172   8.914  -2.201
   93   1HB   LEU  11          2HB       LEU  11  -8.894  10.870  -1.885
   94   2HB   LEU  11          3HB       LEU  11 -10.502  11.124  -1.235
   95    HG   LEU  11           HG       LEU  11  -8.714   8.786  -0.513
   96   1HD1  LEU  11          1HD1      LEU  11  -7.640  10.750   0.298
   97   2HD1  LEU  11          2HD1      LEU  11  -9.176  11.425   0.893
   98   3HD1  LEU  11          3HD1      LEU  11  -8.470   9.993   1.679
   99   1HD2  LEU  11          1HD2      LEU  11 -10.968   8.142  -0.179
  100   2HD2  LEU  11          2HD2      LEU  11 -10.335   8.600   1.421
  101   3HD2  LEU  11          3HD2      LEU  11 -11.394   9.719   0.530
  102    H    MET  12           HN       MET  12  -9.146  11.318  -4.028
  103    HA   MET  12           HA       MET  12 -11.438  11.633  -5.795
  104   1HB   MET  12          2HB       MET  12  -9.784  13.806  -4.404
  105   2HB   MET  12          3HB       MET  12 -10.815  14.156  -5.777
  106   1HG   MET  12          2HG       MET  12 -12.799  13.316  -4.534
  107   2HG   MET  12          3HG       MET  12 -11.785  12.878  -3.173
  108   1HE   MET  12          1HE       MET  12 -11.512  14.310  -1.230
  109   2HE   MET  12          2HE       MET  12 -10.048  14.811  -2.111
  110   3HE   MET  12          3HE       MET  12 -11.074  16.033  -1.323
  111    H    THR  13           HN       THR  13  -8.839  10.146  -6.010
  112    HA   THR  13           HA       THR  13  -8.015  11.285  -8.537
  113    HB   THR  13           HB       THR  13  -6.030  10.910  -6.233
  114    HG1  THR  13           HG1      THR  13  -7.370  13.141  -7.573
  115   1HG2  THR  13          1HG2      THR  13  -5.753  12.152  -9.021
  116   2HG2  THR  13          2HG2      THR  13  -4.491  12.138  -7.766
  117   3HG2  THR  13          3HG2      THR  13  -5.023  10.611  -8.511
  118    HA   PRO  14           HA       PRO  14  -7.786   7.052  -9.295
  119   1HB   PRO  14          2HB       PRO  14  -6.841   7.137 -11.858
  120   2HB   PRO  14          3HB       PRO  14  -8.534   7.340 -11.453
  121   1HG   PRO  14          2HG       PRO  14  -6.564   9.388 -12.266
  122   2HG   PRO  14          3HG       PRO  14  -8.314   9.485 -12.271
  123   1HD   PRO  14          2HD       PRO  14  -6.536  10.674 -10.360
  124   2HD   PRO  14          3HD       PRO  14  -8.287  10.672 -10.303
  125    HA   PRO  15           HA       PRO  15  -3.822   5.601  -8.789
  126   1HB   PRO  15          2HB       PRO  15  -3.662   3.298 -10.252
  127   2HB   PRO  15          3HB       PRO  15  -4.446   3.387  -8.687
  128   1HG   PRO  15          2HG       PRO  15  -5.677   3.219 -11.370
  129   2HG   PRO  15          3HG       PRO  15  -6.399   2.885  -9.808
  130   1HD   PRO  15          2HD       PRO  15  -6.788   5.231 -11.411
  131   2HD   PRO  15          3HD       PRO  15  -7.416   4.947  -9.800
  132    H    VAL  16           HN       VAL  16  -3.358   7.720 -10.056
  133    HA   VAL  16           HA       VAL  16  -2.432   7.406 -12.684
  134    HB   VAL  16           HB       VAL  16  -1.344   9.602 -12.247
  135   1HG1  VAL  16          1HG1      VAL  16  -3.696   9.405 -13.000
  136   2HG1  VAL  16          2HG1      VAL  16  -4.224   9.412 -11.300
  137   3HG1  VAL  16          3HG1      VAL  16  -3.422  10.844 -11.989
  138   1HG2  VAL  16          1HG2      VAL  16  -1.204  10.590 -10.191
  139   2HG2  VAL  16          2HG2      VAL  16  -2.655   9.767  -9.569
  140   3HG2  VAL  16          3HG2      VAL  16  -1.112   8.887  -9.680
  141    H    ILE  17           HN       ILE  17   0.050   8.176 -13.097
  142    HA   ILE  17           HA       ILE  17   2.199   7.666 -12.995
  143    HB   ILE  17           HB       ILE  17   1.639   6.713 -10.184
  144   1HG1  ILE  17          2HG1      ILE  17   2.664   9.416 -11.092
  145   2HG1  ILE  17          3HG1      ILE  17   0.990   9.095 -10.684
  146   1HG2  ILE  17          1HG2      ILE  17   3.743   5.840 -11.141
  147   2HG2  ILE  17          2HG2      ILE  17   4.263   7.509 -11.474
  148   3HG2  ILE  17          3HG2      ILE  17   4.013   6.973  -9.795
  149   1HD1  ILE  17          1HD1      ILE  17   3.398   8.785  -8.835
  150   2HD1  ILE  17          2HD1      ILE  17   2.106  10.003  -8.715
  151   3HD1  ILE  17          3HD1      ILE  17   1.743   8.288  -8.408
  152    H    GLN  18           HN       GLN  18   0.206   5.085 -11.404
  153    HA   GLN  18           HA       GLN  18   1.833   3.125 -12.749
  154   1HB   GLN  18          2HB       GLN  18  -0.450   2.845 -10.746
  155   2HB   GLN  18          3HB       GLN  18   0.445   1.492 -11.409
  156   1HG   GLN  18          2HG       GLN  18   2.579   2.526 -10.513
  157   2HG   GLN  18          3HG       GLN  18   1.617   3.786  -9.766
  158   1HE2  GLN  18          1HE2      GLN  18   0.936   3.490  -7.784
  159   2HE2  GLN  18          2HE2      GLN  18   0.827   1.988  -6.928
  160    H    ALA  19           HN       ALA  19  -1.580   4.301 -12.619
  161    HA   ALA  19           HA       ALA  19  -2.688   2.433 -14.333
  162   1HB   ALA  19          1HB       ALA  19  -3.338   5.343 -13.746
  163   2HB   ALA  19          2HB       ALA  19  -4.379   4.293 -14.737
  164   3HB   ALA  19          3HB       ALA  19  -4.077   3.891 -13.029
  165    H    ILE  20           HN       ILE  20  -1.284   5.703 -15.070
  166    HA   ILE  20           HA       ILE  20  -1.691   5.512 -17.824
  167    HB   ILE  20           HB       ILE  20   0.008   7.334 -17.920
  168   1HG1  ILE  20          2HG1      ILE  20   0.449   8.221 -15.436
  169   2HG1  ILE  20          3HG1      ILE  20   0.384   6.507 -15.076
  170   1HG2  ILE  20          1HG2      ILE  20  -2.450   7.669 -17.537
  171   2HG2  ILE  20          2HG2      ILE  20  -2.101   7.776 -15.795
  172   3HG2  ILE  20          3HG2      ILE  20  -1.406   8.971 -16.916
  173   1HD1  ILE  20          1HD1      ILE  20   2.490   6.265 -15.861
  174   2HD1  ILE  20          2HD1      ILE  20   1.950   6.809 -17.467
  175   3HD1  ILE  20          3HD1      ILE  20   2.536   7.995 -16.276
  176    H    HIS  21           HN       HIS  21   0.890   4.328 -15.662
  177    HA   HIS  21           HA       HIS  21   2.730   3.808 -17.727
  178   1HB   HIS  21          2HB       HIS  21   3.770   3.944 -15.700
  179   2HB   HIS  21          3HB       HIS  21   2.455   3.175 -14.834
  180    HD1  HIS  21           HD1      HIS  21   2.521   0.605 -14.563
  181    HD2  HIS  21           HD2      HIS  21   5.655   2.144 -16.889
  182    HE1  HIS  21           HE1      HIS  21   4.191  -1.300 -14.863
  183    HE2  HIS  21           HE2      HIS  21   6.067  -0.311 -16.345
  184    H    ASP  22           HN       ASP  22   0.242   1.820 -16.017
  185    HA   ASP  22           HA       ASP  22   0.898  -0.550 -17.286
  186   1HB   ASP  22          2HB       ASP  22  -1.505   0.560 -15.853
  187   2HB   ASP  22          3HB       ASP  22  -1.752  -0.891 -16.803
  188    H    ALA  23           HN       ALA  23  -1.389   2.146 -18.047
  189    HA   ALA  23           HA       ALA  23  -2.577   0.865 -20.272
  190   1HB   ALA  23          1HB       ALA  23  -2.388   3.802 -19.488
  191   2HB   ALA  23          2HB       ALA  23  -3.499   3.122 -20.700
  192   3HB   ALA  23          3HB       ALA  23  -3.662   2.665 -18.988
  193    H    GLN  24           HN       GLN  24   0.441   2.576 -19.707
  194    HA   GLN  24           HA       GLN  24   0.862   3.448 -22.317
  195   1HB   GLN  24          2HB       GLN  24   2.444   3.133 -19.831
  196   2HB   GLN  24          3HB       GLN  24   3.403   2.989 -21.291
  197   1HG   GLN  24          2HG       GLN  24   1.413   5.258 -21.078
  198   2HG   GLN  24          3HG       GLN  24   2.924   5.379 -20.199
  199   1HE2  GLN  24          1HE2      GLN  24   4.578   6.221 -21.207
  200   2HE2  GLN  24          2HE2      GLN  24   4.814   6.344 -22.918
  201    H    ARG  25           HN       ARG  25   1.349   0.324 -20.662
  202    HA   ARG  25           HA       ARG  25   2.876  -0.716 -22.824
  203   1HB   ARG  25          2HB       ARG  25   1.520  -2.245 -20.549
  204   2HB   ARG  25          3HB       ARG  25   2.846  -2.816 -21.541
  205   1HG   ARG  25          2HG       ARG  25   4.426  -1.479 -20.464
  206   2HG   ARG  25          3HG       ARG  25   3.268  -0.220 -20.083
  207   1HD   ARG  25          2HD       ARG  25   3.642  -2.894 -18.673
  208   2HD   ARG  25          3HD       ARG  25   3.805  -1.289 -17.990
  209    HE   ARG  25           HE       ARG  25   1.247  -1.109 -18.599
  210   1HH1  ARG  25          2HH2      ARG  25   2.899  -4.022 -17.517
  211   2HH1  ARG  25          1HH2      ARG  25   1.482  -4.713 -16.799
  212   1HH2  ARG  25          2HH1      ARG  25  -0.622  -2.020 -17.652
  213   2HH2  ARG  25          1HH1      ARG  25  -0.534  -3.567 -16.876
  Start of MODEL    2
    1   1H    PHE   1           HN       PHE   1   1.884   0.000   0.829
    2    HA   PHE   1           HA       PHE   1   2.678   0.907  -1.259
    3   1HB   PHE   1          2HB       PHE   1   3.526  -1.287  -2.164
    4   2HB   PHE   1          3HB       PHE   1   3.587  -1.275  -0.412
    5    HD1  PHE   1           HD1      PHE   1   2.113  -2.687   0.895
    6    HD2  PHE   1           HD2      PHE   1   1.895  -2.672  -3.343
    7    HE1  PHE   1           HE1      PHE   1   0.751  -4.795   0.957
    8    HE2  PHE   1           HE2      PHE   1   0.533  -4.779  -3.281
    9    HZ   PHE   1           HZ       PHE   1  -0.023  -5.815  -1.132
   10    H    LEU   2           HN       LEU   2  -0.361   0.884  -1.342
   11    HA   LEU   2           HA       LEU   2  -0.774   1.310  -3.985
   12   1HB   LEU   2          2HB       LEU   2  -0.337  -1.429  -3.627
   13   2HB   LEU   2          3HB       LEU   2  -2.074  -1.272  -3.798
   14    HG   LEU   2           HG       LEU   2  -0.027  -0.200  -5.760
   15   1HD1  LEU   2          1HD1      LEU   2  -0.957  -2.024  -7.242
   16   2HD1  LEU   2          2HD1      LEU   2   0.062  -2.564  -5.886
   17   3HD1  LEU   2          3HD1      LEU   2  -1.709  -2.712  -5.784
   18   1HD2  LEU   2          1HD2      LEU   2  -2.054   1.143  -5.752
   19   2HD2  LEU   2          2HD2      LEU   2  -1.950   0.176  -7.243
   20   3HD2  LEU   2          3HD2      LEU   2  -3.050  -0.321  -5.935
   21    HA   PRO   3           HA       PRO   3  -4.780   0.701  -1.551
   22   1HB   PRO   3          2HB       PRO   3  -4.715  -0.429   0.936
   23   2HB   PRO   3          3HB       PRO   3  -5.089  -1.333  -0.517
   24   1HG   PRO   3          2HG       PRO   3  -2.598  -1.330   1.073
   25   2HG   PRO   3          3HG       PRO   3  -3.148  -2.508  -0.102
   26   1HD   PRO   3          2HD       PRO   3  -1.139  -0.499  -0.496
   27   2HD   PRO   3          3HD       PRO   3  -1.772  -1.600  -1.704
   28    H    LEU   4           HN       LEU   4  -2.088   1.240   0.648
   29    HA   LEU   4           HA       LEU   4  -3.565   3.500   1.749
   30   1HB   LEU   4          2HB       LEU   4  -1.234   1.844   2.628
   31   2HB   LEU   4          3HB       LEU   4  -1.412   3.472   3.252
   32    HG   LEU   4           HG       LEU   4  -3.789   2.785   3.939
   33   1HD1  LEU   4          1HD1      LEU   4  -4.209   0.815   2.753
   34   2HD1  LEU   4          2HD1      LEU   4  -2.636   0.103   3.187
   35   3HD1  LEU   4          3HD1      LEU   4  -3.911   0.265   4.419
   36   1HD2  LEU   4          1HD2      LEU   4  -1.322   1.621   5.249
   37   2HD2  LEU   4          2HD2      LEU   4  -2.130   3.167   5.603
   38   3HD2  LEU   4          3HD2      LEU   4  -2.934   1.630   6.003
   39    H    LEU   5           HN       LEU   5  -0.834   2.636  -0.339
   40    HA   LEU   5           HA       LEU   5   0.546   5.047  -0.234
   41   1HB   LEU   5          2HB       LEU   5   1.109   2.736  -1.283
   42   2HB   LEU   5          3HB       LEU   5   0.331   3.377  -2.717
   43    HG   LEU   5           HG       LEU   5   2.743   3.648  -2.837
   44   1HD1  LEU   5          1HD1      LEU   5   1.055   5.404  -3.717
   45   2HD1  LEU   5          2HD1      LEU   5   1.682   6.429  -2.403
   46   3HD1  LEU   5          3HD1      LEU   5   2.786   5.818  -3.659
   47   1HD2  LEU   5          1HD2      LEU   5   4.063   4.827  -1.300
   48   2HD2  LEU   5          2HD2      LEU   5   2.648   5.545  -0.493
   49   3HD2  LEU   5          3HD2      LEU   5   3.000   3.811  -0.297
   50    H    ILE   6           HN       ILE   6  -2.195   3.956  -2.325
   51    HA   ILE   6           HA       ILE   6  -2.274   6.268  -3.887
   52    HB   ILE   6           HB       ILE   6  -4.585   5.514  -4.405
   53   1HG1  ILE   6          2HG1      ILE   6  -3.976   3.383  -2.336
   54   2HG1  ILE   6          3HG1      ILE   6  -5.229   4.605  -2.246
   55   1HG2  ILE   6          1HG2      ILE   6  -2.880   4.699  -5.806
   56   2HG2  ILE   6          2HG2      ILE   6  -2.268   3.584  -4.560
   57   3HG2  ILE   6          3HG2      ILE   6  -3.834   3.268  -5.345
   58   1HD1  ILE   6          1HD1      ILE   6  -5.070   2.542  -4.487
   59   2HD1  ILE   6          2HD1      ILE   6  -6.040   2.325  -3.011
   60   3HD1  ILE   6          3HD1      ILE   6  -6.419   3.649  -4.138
   61    H    LEU   7           HN       LEU   7  -3.619   5.451  -0.677
   62    HA   LEU   7           HA       LEU   7  -5.400   7.588  -0.493
   63   1HB   LEU   7          2HB       LEU   7  -5.381   5.595   0.947
   64   2HB   LEU   7          3HB       LEU   7  -3.887   6.139   1.684
   65    HG   LEU   7           HG       LEU   7  -5.122   8.217   2.438
   66   1HD1  LEU   7          1HD1      LEU   7  -6.996   8.372   1.055
   67   2HD1  LEU   7          2HD1      LEU   7  -7.440   6.665   1.299
   68   3HD1  LEU   7          3HD1      LEU   7  -7.658   7.839   2.619
   69   1HD2  LEU   7          1HD2      LEU   7  -4.596   6.395   3.966
   70   2HD2  LEU   7          2HD2      LEU   7  -6.188   7.095   4.344
   71   3HD2  LEU   7          3HD2      LEU   7  -6.081   5.539   3.485
   72    H    GLY   8           HN       GLY   8  -1.905   7.276   0.363
   73   1HA   GLY   8          1HA       GLY   8  -1.496   9.711   1.576
   74   2HA   GLY   8          2HA       GLY   8  -0.316   8.848   0.610
   75    H    SER   9           HN       SER   9  -1.713   8.907  -1.940
   76    HA   SER   9           HA       SER   9  -1.202  11.684  -2.546
   77   1HB   SER   9          2HB       SER   9  -0.094   9.812  -3.838
   78   2HB   SER   9          3HB       SER   9  -1.670   9.338  -4.439
   79    HG   SER   9           HG       SER   9  -0.182  11.738  -4.983
   80    H    LEU  10           HN       LEU  10  -3.748  10.427  -1.247
   81    HA   LEU  10           HA       LEU  10  -5.629  11.579  -3.187
   82   1HB   LEU  10          2HB       LEU  10  -5.562   8.937  -2.000
   83   2HB   LEU  10          3HB       LEU  10  -7.045   9.774  -1.588
   84    HG   LEU  10           HG       LEU  10  -7.299   8.400  -3.594
   85   1HD1  LEU  10          1HD1      LEU  10  -7.712  11.331  -3.606
   86   2HD1  LEU  10          2HD1      LEU  10  -7.857  10.514  -5.180
   87   3HD1  LEU  10          3HD1      LEU  10  -8.873   9.998  -3.813
   88   1HD2  LEU  10          1HD2      LEU  10  -6.025   8.534  -5.497
   89   2HD2  LEU  10          2HD2      LEU  10  -5.526  10.213  -5.185
   90   3HD2  LEU  10          3HD2      LEU  10  -4.799   8.882  -4.254
   91    H    LEU  11           HN       LEU  11  -4.002  12.675  -0.838
   92    HA   LEU  11           HA       LEU  11  -6.161  13.261   1.029
   93   1HB   LEU  11          2HB       LEU  11  -3.719  12.534   1.600
   94   2HB   LEU  11          3HB       LEU  11  -3.334  14.217   1.296
   95    HG   LEU  11           HG       LEU  11  -3.653  13.859   3.660
   96   1HD1  LEU  11          1HD1      LEU  11  -5.107  15.648   4.149
   97   2HD1  LEU  11          2HD1      LEU  11  -4.461  15.987   2.526
   98   3HD1  LEU  11          3HD1      LEU  11  -6.108  15.339   2.710
   99   1HD2  LEU  11          1HD2      LEU  11  -6.535  13.100   3.237
  100   2HD2  LEU  11          2HD2      LEU  11  -5.248  11.870   3.249
  101   3HD2  LEU  11          3HD2      LEU  11  -5.511  12.897   4.679
  102    H    MET  12           HN       MET  12  -3.547  15.128  -0.681
  103    HA   MET  12           HA       MET  12  -5.349  17.394  -0.627
  104   1HB   MET  12          2HB       MET  12  -2.369  17.063  -1.273
  105   2HB   MET  12          3HB       MET  12  -3.201  18.598  -1.425
  106   1HG   MET  12          2HG       MET  12  -3.842  18.473   1.007
  107   2HG   MET  12          3HG       MET  12  -2.968  16.962   1.149
  108   1HE   MET  12          1HE       MET  12  -1.316  21.169   1.166
  109   2HE   MET  12          2HE       MET  12  -2.477  20.737  -0.113
  110   3HE   MET  12          3HE       MET  12  -2.930  20.557   1.599
  111    H    THR  13           HN       THR  13  -3.188  15.613  -2.947
  112    HA   THR  13           HA       THR  13  -4.417  16.952  -5.189
  113    HB   THR  13           HB       THR  13  -1.925  15.836  -4.633
  114    HG1  THR  13           HG1      THR  13  -1.914  17.147  -6.420
  115   1HG2  THR  13          1HG2      THR  13  -1.598  13.900  -5.956
  116   2HG2  THR  13          2HG2      THR  13  -3.168  13.548  -5.194
  117   3HG2  THR  13          3HG2      THR  13  -3.106  14.154  -6.866
  118    HA   PRO  14           HA       PRO  14  -7.331  13.989  -6.240
  119   1HB   PRO  14          2HB       PRO  14  -7.204  13.826  -8.966
  120   2HB   PRO  14          3HB       PRO  14  -7.999  15.139  -8.120
  121   1HG   PRO  14          2HG       PRO  14  -5.389  15.140  -9.509
  122   2HG   PRO  14          3HG       PRO  14  -6.383  16.505  -9.038
  123   1HD   PRO  14          2HD       PRO  14  -4.004  15.581  -7.728
  124   2HD   PRO  14          3HD       PRO  14  -5.062  16.872  -7.193
  125    HA   PRO  15           HA       PRO  15  -5.959  10.008  -6.852
  126   1HB   PRO  15          2HB       PRO  15  -7.825   8.742  -8.396
  127   2HB   PRO  15          3HB       PRO  15  -8.043   9.043  -6.683
  128   1HG   PRO  15          2HG       PRO  15  -9.287  10.427  -8.980
  129   2HG   PRO  15          3HG       PRO  15  -9.792  10.413  -7.302
  130   1HD   PRO  15          2HD       PRO  15  -8.433  12.538  -8.667
  131   2HD   PRO  15          3HD       PRO  15  -8.835  12.475  -6.963
  132    H    VAL  16           HN       VAL  16  -4.332  11.499  -8.233
  133    HA   VAL  16           HA       VAL  16  -4.319  11.020 -10.979
  134    HB   VAL  16           HB       VAL  16  -1.891  11.645 -10.753
  135   1HG1  VAL  16          1HG1      VAL  16  -3.987  13.425  -9.466
  136   2HG1  VAL  16          2HG1      VAL  16  -2.387  13.975 -10.017
  137   3HG1  VAL  16          3HG1      VAL  16  -3.563  13.338 -11.192
  138   1HG2  VAL  16          1HG2      VAL  16  -2.532  11.157  -7.926
  139   2HG2  VAL  16          2HG2      VAL  16  -0.958  11.204  -8.756
  140   3HG2  VAL  16          3HG2      VAL  16  -1.727  12.717  -8.220
  141    H    ILE  17           HN       ILE  17  -2.668   9.322  -8.236
  142    HA   ILE  17           HA       ILE  17  -1.247   7.500  -9.706
  143    HB   ILE  17           HB       ILE  17  -1.495   6.046  -7.660
  144   1HG1  ILE  17          2HG1      ILE  17  -3.074   8.407  -6.599
  145   2HG1  ILE  17          3HG1      ILE  17  -3.773   6.864  -7.047
  146   1HG2  ILE  17          1HG2      ILE  17  -0.709   8.841  -6.885
  147   2HG2  ILE  17          2HG2      ILE  17   0.061   7.289  -6.479
  148   3HG2  ILE  17          3HG2      ILE  17   0.208   7.952  -8.124
  149   1HD1  ILE  17          1HD1      ILE  17  -3.287   7.058  -4.585
  150   2HD1  ILE  17          2HD1      ILE  17  -2.442   5.693  -5.355
  151   3HD1  ILE  17          3HD1      ILE  17  -1.555   7.189  -4.975
  152    H    GLN  18           HN       GLN  18  -4.720   7.774  -9.227
  153    HA   GLN  18           HA       GLN  18  -5.042   5.112 -10.351
  154   1HB   GLN  18          2HB       GLN  18  -7.135   6.934  -9.085
  155   2HB   GLN  18          3HB       GLN  18  -7.390   5.277  -9.595
  156   1HG   GLN  18          2HG       GLN  18  -5.379   4.715  -7.984
  157   2HG   GLN  18          3HG       GLN  18  -5.690   6.296  -7.296
  158   1HE2  GLN  18          1HE2      GLN  18  -6.230   3.181  -6.822
  159   2HE2  GLN  18          2HE2      GLN  18  -7.781   3.178  -6.049
  160    H    ALA  19           HN       ALA  19  -5.772   8.592 -10.823
  161    HA   ALA  19           HA       ALA  19  -7.458   8.356 -13.015
  162   1HB   ALA  19          1HB       ALA  19  -7.160  10.434 -11.784
  163   2HB   ALA  19          2HB       ALA  19  -5.440  10.499 -12.237
  164   3HB   ALA  19          3HB       ALA  19  -6.697  10.699 -13.482
  165    H    ILE  20           HN       ILE  20  -3.849   8.749 -12.864
  166    HA   ILE  20           HA       ILE  20  -3.570   8.574 -15.672
  167    HB   ILE  20           HB       ILE  20  -1.373   8.954 -15.305
  168   1HG1  ILE  20          2HG1      ILE  20  -0.983   6.721 -14.269
  169   2HG1  ILE  20          3HG1      ILE  20   0.013   8.003 -13.608
  170   1HG2  ILE  20          1HG2      ILE  20  -1.180  10.603 -13.720
  171   2HG2  ILE  20          2HG2      ILE  20  -2.950  10.472 -13.848
  172   3HG2  ILE  20          3HG2      ILE  20  -2.096   9.693 -12.495
  173   1HD1  ILE  20          1HD1      ILE  20  -1.408   6.271 -12.060
  174   2HD1  ILE  20          2HD1      ILE  20  -1.005   7.926 -11.544
  175   3HD1  ILE  20          3HD1      ILE  20  -2.608   7.574 -12.233
  176    H    HIS  21           HN       HIS  21  -3.794   6.237 -13.022
  177    HA   HIS  21           HA       HIS  21  -2.532   4.119 -14.362
  178   1HB   HIS  21          2HB       HIS  21  -2.650   3.867 -12.065
  179   2HB   HIS  21          3HB       HIS  21  -4.315   4.405 -11.971
  180    HD1  HIS  21           HD1      HIS  21  -3.246   1.665 -14.364
  181    HD2  HIS  21           HD2      HIS  21  -5.233   2.091 -10.694
  182    HE1  HIS  21           HE1      HIS  21  -4.268  -0.613 -13.836
  183    HE2  HIS  21           HE2      HIS  21  -5.429  -0.303 -11.544
  184    H    ASP  22           HN       ASP  22  -5.989   5.137 -14.030
  185    HA   ASP  22           HA       ASP  22  -7.136   3.029 -15.285
  186   1HB   ASP  22          2HB       ASP  22  -8.008   5.420 -14.293
  187   2HB   ASP  22          3HB       ASP  22  -8.153   5.761 -16.005
  188    H    ALA  23           HN       ALA  23  -5.672   6.048 -16.653
  189    HA   ALA  23           HA       ALA  23  -6.366   5.531 -19.328
  190   1HB   ALA  23          1HB       ALA  23  -5.809   7.760 -18.657
  191   2HB   ALA  23          2HB       ALA  23  -4.248   7.240 -17.978
  192   3HB   ALA  23          3HB       ALA  23  -4.501   7.226 -19.740
  193    H    GLN  24           HN       GLN  24  -3.462   4.782 -17.313
  194    HA   GLN  24           HA       GLN  24  -2.087   3.619 -19.478
  195   1HB   GLN  24          2HB       GLN  24  -1.690   3.433 -16.462
  196   2HB   GLN  24          3HB       GLN  24  -0.584   2.727 -17.623
  197   1HG   GLN  24          2HG       GLN  24  -0.969   5.574 -16.875
  198   2HG   GLN  24          3HG       GLN  24   0.462   4.766 -17.483
  199   1HE2  GLN  24          1HE2      GLN  24  -1.980   6.921 -18.155
  200   2HE2  GLN  24          2HE2      GLN  24  -1.857   7.018 -19.880
  201    H    ARG  25           HN       ARG  25  -3.984   2.322 -16.676
  202    HA   ARG  25           HA       ARG  25  -4.798   0.360 -16.253
  203   1HB   ARG  25          2HB       ARG  25  -5.452   0.932 -19.052
  204   2HB   ARG  25          3HB       ARG  25  -5.365  -0.799 -18.794
  205   1HG   ARG  25          2HG       ARG  25  -6.999  -0.692 -16.984
  206   2HG   ARG  25          3HG       ARG  25  -6.951   1.059 -16.967
  207   1HD   ARG  25          2HD       ARG  25  -7.935  -0.645 -19.308
  208   2HD   ARG  25          3HD       ARG  25  -8.969   0.189 -18.165
  209    HE   ARG  25           HE       ARG  25  -7.729   2.326 -18.986
  210   1HH1  ARG  25          2HH2      ARG  25  -8.305  -0.499 -21.003
  211   2HH1  ARG  25          1HH2      ARG  25  -8.305   0.400 -22.484
  212   1HH2  ARG  25          2HH1      ARG  25  -7.730   3.512 -20.939
  213   2HH2  ARG  25          1HH1      ARG  25  -7.976   2.697 -22.447
  Start of MODEL    3
    1   1H    PHE   1           HN       PHE   1   1.884   0.000   0.829
    2    HA   PHE   1           HA       PHE   1   2.678   0.907  -1.259
    3   1HB   PHE   1          2HB       PHE   1   3.591  -1.245  -2.114
    4   2HB   PHE   1          3HB       PHE   1   3.521  -1.318  -0.365
    5    HD1  PHE   1           HD1      PHE   1   2.480  -2.846  -3.421
    6    HD2  PHE   1           HD2      PHE   1   1.530  -2.509   0.701
    7    HE1  PHE   1           HE1      PHE   1   1.117  -4.949  -3.563
    8    HE2  PHE   1           HE2      PHE   1   0.167  -4.612   0.559
    9    HZ   PHE   1           HZ       PHE   1  -0.023  -5.807  -1.571
   10    H    LEU   2           HN       LEU   2   2.552  -0.925  -3.619
   11    HA   LEU   2           HA       LEU   2   1.376  -0.139  -5.553
   12   1HB   LEU   2          2HB       LEU   2   1.670  -2.584  -5.144
   13   2HB   LEU   2          3HB       LEU   2   0.059  -2.625  -4.456
   14    HG   LEU   2           HG       LEU   2   0.273  -3.394  -6.849
   15   1HD1  LEU   2          1HD1      LEU   2  -1.630  -1.069  -6.660
   16   2HD1  LEU   2          2HD1      LEU   2  -1.860  -2.661  -7.423
   17   3HD1  LEU   2          3HD1      LEU   2  -1.839  -2.520  -5.649
   18   1HD2  LEU   2          1HD2      LEU   2   1.876  -1.504  -7.448
   19   2HD2  LEU   2          2HD2      LEU   2   0.592  -1.882  -8.621
   20   3HD2  LEU   2          3HD2      LEU   2   0.436  -0.464  -7.557
   21    HA   PRO   3           HA       PRO   3  -3.101   0.320  -4.301
   22   1HB   PRO   3          2HB       PRO   3  -4.125  -0.871  -2.065
   23   2HB   PRO   3          3HB       PRO   3  -4.157  -1.619  -3.649
   24   1HG   PRO   3          2HG       PRO   3  -2.416  -2.240  -1.343
   25   2HG   PRO   3          3HG       PRO   3  -2.762  -3.221  -2.752
   26   1HD   PRO   3          2HD       PRO   3  -0.370  -1.719  -2.252
   27   2HD   PRO   3          3HD       PRO   3  -0.765  -2.606  -3.711
   28    H    LEU   4           HN       LEU   4  -1.874  -0.043  -1.000
   29    HA   LEU   4           HA       LEU   4  -3.023   2.413  -0.224
   30   1HB   LEU   4          2HB       LEU   4  -1.168   0.408   0.985
   31   2HB   LEU   4          3HB       LEU   4  -1.309   1.986   1.735
   32    HG   LEU   4           HG       LEU   4  -3.834   1.589   1.790
   33   1HD1  LEU   4          1HD1      LEU   4  -2.889  -1.151   0.957
   34   2HD1  LEU   4          2HD1      LEU   4  -4.395  -0.912   1.875
   35   3HD1  LEU   4          3HD1      LEU   4  -4.199  -0.157   0.275
   36   1HD2  LEU   4          1HD2      LEU   4  -2.404   1.494   3.774
   37   2HD2  LEU   4          2HD2      LEU   4  -3.707   0.284   3.850
   38   3HD2  LEU   4          3HD2      LEU   4  -2.049  -0.219   3.444
   39    H    LEU   5           HN       LEU   5   0.069   1.450  -1.668
   40    HA   LEU   5           HA       LEU   5   1.501   3.759  -0.951
   41   1HB   LEU   5          2HB       LEU   5   2.520   1.652  -1.658
   42   2HB   LEU   5          3HB       LEU   5   1.853   1.850  -3.266
   43    HG   LEU   5           HG       LEU   5   3.289   3.652  -3.778
   44   1HD1  LEU   5          1HD1      LEU   5   3.722   3.845  -0.806
   45   2HD1  LEU   5          2HD1      LEU   5   4.900   4.528  -1.953
   46   3HD1  LEU   5          3HD1      LEU   5   3.214   5.100  -1.962
   47   1HD2  LEU   5          1HD2      LEU   5   4.397   1.501  -3.888
   48   2HD2  LEU   5          2HD2      LEU   5   5.548   2.750  -3.355
   49   3HD2  LEU   5          3HD2      LEU   5   4.856   1.615  -2.172
   50    H    ILE   6           HN       ILE   6  -0.375   2.857  -3.920
   51    HA   ILE   6           HA       ILE   6   0.100   5.337  -5.177
   52    HB   ILE   6           HB       ILE   6  -1.622   4.598  -6.743
   53   1HG1  ILE   6          2HG1      ILE   6  -2.101   2.413  -4.705
   54   2HG1  ILE   6          3HG1      ILE   6  -3.249   3.596  -5.302
   55   1HG2  ILE   6          1HG2      ILE   6   0.763   3.089  -6.004
   56   2HG2  ILE   6          2HG2      ILE   6  -0.433   2.103  -6.880
   57   3HG2  ILE   6          3HG2      ILE   6   0.180   3.610  -7.603
   58   1HD1  ILE   6          1HD1      ILE   6  -2.062   1.220  -6.767
   59   2HD1  ILE   6          2HD1      ILE   6  -3.775   1.645  -6.537
   60   3HD1  ILE   6          3HD1      ILE   6  -2.769   2.584  -7.666
   61    H    LEU   7           HN       LEU   7  -2.370   4.091  -2.918
   62    HA   LEU   7           HA       LEU   7  -4.271   6.076  -3.280
   63   1HB   LEU   7          2HB       LEU   7  -4.412   3.888  -2.004
   64   2HB   LEU   7          3HB       LEU   7  -3.617   4.708  -0.675
   65    HG   LEU   7           HG       LEU   7  -6.073   4.579  -0.428
   66   1HD1  LEU   7          1HD1      LEU   7  -4.521   6.506   0.424
   67   2HD1  LEU   7          2HD1      LEU   7  -5.428   7.491  -0.749
   68   3HD1  LEU   7          3HD1      LEU   7  -6.290   6.648   0.561
   69   1HD2  LEU   7          1HD2      LEU   7  -7.603   5.592  -1.849
   70   2HD2  LEU   7          2HD2      LEU   7  -6.370   6.625  -2.612
   71   3HD2  LEU   7          3HD2      LEU   7  -6.421   4.884  -2.976
   72    H    GLY   8           HN       GLY   8  -1.473   5.918  -0.976
   73   1HA   GLY   8          1HA       GLY   8  -1.868   8.357   0.278
   74   2HA   GLY   8          2HA       GLY   8  -0.328   7.550   0.060
   75    H    SER   9           HN       SER   9  -0.355   7.566  -2.892
   76    HA   SER   9           HA       SER   9   0.410  10.331  -3.183
   77   1HB   SER   9          2HB       SER   9   1.970   8.477  -3.844
   78   2HB   SER   9          3HB       SER   9   0.821   7.963  -5.063
   79    HG   SER   9           HG       SER   9   2.317  10.428  -4.950
   80    H    LEU  10           HN       LEU  10  -2.476   9.238  -3.157
   81    HA   LEU  10           HA       LEU  10  -3.231  10.236  -5.816
   82   1HB   LEU  10          2HB       LEU  10  -3.864   7.780  -4.496
   83   2HB   LEU  10          3HB       LEU  10  -5.333   8.720  -4.658
   84    HG   LEU  10           HG       LEU  10  -5.025   7.190  -6.536
   85   1HD1  LEU  10          1HD1      LEU  10  -5.566   8.684  -8.285
   86   2HD1  LEU  10          2HD1      LEU  10  -6.139   9.453  -6.786
   87   3HD1  LEU  10          3HD1      LEU  10  -4.631  10.008  -7.552
   88   1HD2  LEU  10          1HD2      LEU  10  -2.331   7.877  -6.352
   89   2HD2  LEU  10          2HD2      LEU  10  -3.095   6.845  -7.585
   90   3HD2  LEU  10          3HD2      LEU  10  -2.869   8.583  -7.894
   91    H    LEU  11           HN       LEU  11  -5.274  11.477  -5.886
   92    HA   LEU  11           HA       LEU  11  -6.522  13.164  -5.203
   93   1HB   LEU  11          2HB       LEU  11  -6.582  11.337  -2.838
   94   2HB   LEU  11          3HB       LEU  11  -7.315  12.923  -2.702
   95    HG   LEU  11           HG       LEU  11  -9.010  11.326  -3.270
   96   1HD1  LEU  11          1HD1      LEU  11  -8.543  12.730  -5.886
   97   2HD1  LEU  11          2HD1      LEU  11 -10.061  12.457  -4.998
   98   3HD1  LEU  11          3HD1      LEU  11  -8.887  13.657  -4.406
   99   1HD2  LEU  11          1HD2      LEU  11  -7.327   9.715  -4.338
  100   2HD2  LEU  11          2HD2      LEU  11  -8.958   9.802  -5.045
  101   3HD2  LEU  11          3HD2      LEU  11  -7.598  10.629  -5.841
  102    H    MET  12           HN       MET  12  -3.434  13.015  -4.692
  103    HA   MET  12           HA       MET  12  -3.393  15.554  -3.336
  104   1HB   MET  12          2HB       MET  12  -1.961  13.026  -2.390
  105   2HB   MET  12          3HB       MET  12  -1.334  14.610  -1.980
  106   1HG   MET  12          2HG       MET  12  -3.567  15.197  -0.955
  107   2HG   MET  12          3HG       MET  12  -4.134  13.577  -1.310
  108   1HE   MET  12          1HE       MET  12  -1.312  14.907   2.004
  109   2HE   MET  12          2HE       MET  12  -1.119  15.513   0.341
  110   3HE   MET  12          3HE       MET  12  -2.635  15.810   1.226
  111    H    THR  13           HN       THR  13  -0.889  13.054  -4.168
  112    HA   THR  13           HA       THR  13  -0.021  14.607  -6.440
  113    HB   THR  13           HB       THR  13   1.795  14.251  -3.998
  114    HG1  THR  13           HG1      THR  13   0.556  16.021  -3.458
  115   1HG2  THR  13          1HG2      THR  13   2.087  15.875  -6.582
  116   2HG2  THR  13          2HG2      THR  13   3.227  15.893  -5.215
  117   3HG2  THR  13          3HG2      THR  13   3.020  14.412  -6.181
  118    HA   PRO  14           HA       PRO  14   0.908  10.561  -7.590
  119   1HB   PRO  14          2HB       PRO  14   1.956  11.073 -10.061
  120   2HB   PRO  14          3HB       PRO  14   0.235  10.959  -9.755
  121   1HG   PRO  14          2HG       PRO  14   1.879  13.371 -10.224
  122   2HG   PRO  14          3HG       PRO  14   0.140  13.188 -10.339
  123   1HD   PRO  14          2HD       PRO  14   1.597  14.429  -8.203
  124   2HD   PRO  14          3HD       PRO  14  -0.131  14.143  -8.265
  125    HA   PRO  15           HA       PRO  15   5.022   9.713  -6.942
  126   1HB   PRO  15          2HB       PRO  15   5.623   7.609  -8.579
  127   2HB   PRO  15          3HB       PRO  15   4.757   7.429  -7.066
  128   1HG   PRO  15          2HG       PRO  15   3.706   7.322  -9.827
  129   2HG   PRO  15          3HG       PRO  15   2.970   6.736  -8.349
  130   1HD   PRO  15          2HD       PRO  15   2.290   9.131  -9.772
  131   2HD   PRO  15          3HD       PRO  15   1.635   8.604  -8.234
  132    H    VAL  16           HN       VAL  16   5.111  11.997  -8.076
  133    HA   VAL  16           HA       VAL  16   6.230  12.102 -10.614
  134    HB   VAL  16           HB       VAL  16   7.006  14.355  -9.874
  135   1HG1  VAL  16          1HG1      VAL  16   4.788  15.291  -9.662
  136   2HG1  VAL  16          2HG1      VAL  16   4.720  13.903 -10.775
  137   3HG1  VAL  16          3HG1      VAL  16   4.136  13.732  -9.102
  138   1HG2  VAL  16          1HG2      VAL  16   6.243  13.228  -7.214
  139   2HG2  VAL  16          2HG2      VAL  16   7.555  14.347  -7.653
  140   3HG2  VAL  16          3HG2      VAL  16   5.882  14.943  -7.525
  141    H    ILE  17           HN       ILE  17   7.793  11.996  -7.345
  142    HA   ILE  17           HA       ILE  17  10.397  12.227  -8.135
  143    HB   ILE  17           HB       ILE  17  10.880  10.837  -6.087
  144   1HG1  ILE  17          2HG1      ILE  17   7.872  10.877  -5.730
  145   2HG1  ILE  17          3HG1      ILE  17   8.766   9.473  -6.279
  146   1HG2  ILE  17          1HG2      ILE  17  10.412  13.395  -6.284
  147   2HG2  ILE  17          2HG2      ILE  17   8.902  12.997  -5.429
  148   3HG2  ILE  17          3HG2      ILE  17  10.474  12.623  -4.681
  149   1HD1  ILE  17          1HD1      ILE  17   8.528   9.219  -3.902
  150   2HD1  ILE  17          2HD1      ILE  17  10.217   9.713  -4.168
  151   3HD1  ILE  17          3HD1      ILE  17   9.020  10.903  -3.603
  152    H    GLN  18           HN       GLN  18   8.144   9.545  -8.598
  153    HA   GLN  18           HA       GLN  18  10.339   7.825  -9.364
  154   1HB   GLN  18          2HB       GLN  18   7.347   7.270  -9.140
  155   2HB   GLN  18          3HB       GLN  18   8.559   6.067  -9.532
  156   1HG   GLN  18          2HG       GLN  18   9.701   6.513  -7.344
  157   2HG   GLN  18          3HG       GLN  18   8.475   7.702  -6.951
  158   1HE2  GLN  18          1HE2      GLN  18   6.825   7.059  -5.802
  159   2HE2  GLN  18          2HE2      GLN  18   6.232   5.441  -5.629
  160    H    ALA  19           HN       ALA  19   7.388   9.418 -10.694
  161    HA   ALA  19           HA       ALA  19   7.441   8.307 -13.223
  162   1HB   ALA  19          1HB       ALA  19   5.590   9.644 -12.296
  163   2HB   ALA  19          2HB       ALA  19   6.613  11.101 -12.336
  164   3HB   ALA  19          3HB       ALA  19   6.133  10.309 -13.856
  165    H    ILE  20           HN       ILE  20   9.070  11.288 -11.951
  166    HA   ILE  20           HA       ILE  20  10.217  11.965 -14.422
  167    HB   ILE  20           HB       ILE  20  11.641  13.451 -13.051
  168   1HG1  ILE  20          2HG1      ILE  20  10.734  13.487 -10.535
  169   2HG1  ILE  20          3HG1      ILE  20  10.526  11.775 -10.845
  170   1HG2  ILE  20          1HG2      ILE  20   9.222  13.911 -13.800
  171   2HG2  ILE  20          2HG2      ILE  20   8.792  13.652 -12.093
  172   3HG2  ILE  20          3HG2      ILE  20   9.927  14.949 -12.538
  173   1HD1  ILE  20          1HD1      ILE  20  13.077  12.430 -11.922
  174   2HD1  ILE  20          2HD1      ILE  20  12.979  13.250 -10.345
  175   3HD1  ILE  20          3HD1      ILE  20  12.736  11.490 -10.449
  176    H    HIS  21           HN       HIS  21  11.191   9.813 -11.745
  177    HA   HIS  21           HA       HIS  21  13.870   9.580 -12.551
  178   1HB   HIS  21          2HB       HIS  21  13.360   9.032 -10.322
  179   2HB   HIS  21          3HB       HIS  21  12.040   7.974 -10.778
  180    HD1  HIS  21           HD1      HIS  21  15.631   7.879 -12.106
  181    HD2  HIS  21           HD2      HIS  21  12.949   5.544  -9.881
  182    HE1  HIS  21           HE1      HIS  21  16.785   5.636 -11.722
  183    HE2  HIS  21           HE2      HIS  21  15.111   4.264 -10.304
  184    H    ASP  22           HN       ASP  22  10.891   7.639 -13.207
  185    HA   ASP  22           HA       ASP  22  12.139   5.614 -14.572
  186   1HB   ASP  22          2HB       ASP  22   9.605   6.075 -13.822
  187   2HB   ASP  22          3HB       ASP  22   9.443   6.641 -15.472
  188    H    ALA  23           HN       ALA  23  10.650   8.729 -15.710
  189    HA   ALA  23           HA       ALA  23  10.958   8.383 -18.420
  190   1HB   ALA  23          1HB       ALA  23  11.071  10.858 -16.658
  191   2HB   ALA  23          2HB       ALA  23  11.003  10.920 -18.435
  192   3HB   ALA  23          3HB       ALA  23   9.660  10.196 -17.518
  193    H    GLN  24           HN       GLN  24  13.336   9.270 -15.903
  194    HA   GLN  24           HA       GLN  24  15.322   9.639 -17.977
  195   1HB   GLN  24          2HB       GLN  24  15.496  10.045 -14.958
  196   2HB   GLN  24          3HB       GLN  24  16.781  10.407 -16.093
  197   1HG   GLN  24          2HG       GLN  24  14.183  11.848 -15.636
  198   2HG   GLN  24          3HG       GLN  24  15.781  12.507 -15.927
  199   1HE2  GLN  24          1HE2      GLN  24  12.807  12.193 -17.187
  200   2HE2  GLN  24          2HE2      GLN  24  13.128  12.280 -18.887
  201    H    ARG  25           HN       ARG  25  14.051   6.987 -17.321
  202    HA   ARG  25           HA       ARG  25  15.769   5.492 -15.761
  203   1HB   ARG  25          2HB       ARG  25  13.791   4.838 -17.969
  204   2HB   ARG  25          3HB       ARG  25  14.787   3.558 -17.305
  205   1HG   ARG  25          2HG       ARG  25  13.921   3.942 -15.056
  206   2HG   ARG  25          3HG       ARG  25  13.108   5.412 -15.557
  207   1HD   ARG  25          2HD       ARG  25  12.437   2.573 -16.468
  208   2HD   ARG  25          3HD       ARG  25  11.471   3.579 -15.408
  209    HE   ARG  25           HE       ARG  25  11.608   5.184 -17.588
  210   1HH1  ARG  25          2HH2      ARG  25  10.975   1.730 -17.349
  211   2HH1  ARG  25          1HH2      ARG  25   9.988   1.683 -18.772
  212   1HH2  ARG  25          2HH1      ARG  25  10.306   5.122 -19.465
  213   2HH2  ARG  25          1HH1      ARG  25   9.606   3.626 -19.984
  Start of MODEL    4
    1   1H    PHE   1           HN       PHE   1   1.884   0.000   0.829
    2    HA   PHE   1           HA       PHE   1   2.678   0.907  -1.259
    3   1HB   PHE   1          2HB       PHE   1   2.993  -1.665  -0.249
    4   2HB   PHE   1          3HB       PHE   1   2.381  -2.038  -1.848
    5    HD1  PHE   1           HD1      PHE   1   5.050  -0.120  -0.108
    6    HD2  PHE   1           HD2      PHE   1   3.824  -2.049  -3.684
    7    HE1  PHE   1           HE1      PHE   1   7.354   0.177  -1.059
    8    HE2  PHE   1           HE2      PHE   1   6.128  -1.752  -4.634
    9    HZ   PHE   1           HZ       PHE   1   7.865  -0.642  -3.311
   10    H    LEU   2           HN       LEU   2   2.725   0.051  -3.753
   11    HA   LEU   2           HA       LEU   2  -0.090   0.087  -4.592
   12   1HB   LEU   2          2HB       LEU   2   0.983   2.129  -5.176
   13   2HB   LEU   2          3HB       LEU   2   2.382   1.295  -5.823
   14    HG   LEU   2           HG       LEU   2   0.890   0.326  -7.609
   15   1HD1  LEU   2          1HD1      LEU   2  -1.105   2.291  -6.454
   16   2HD1  LEU   2          2HD1      LEU   2  -1.259   1.491  -8.036
   17   3HD1  LEU   2          3HD1      LEU   2  -1.262   0.520  -6.545
   18   1HD2  LEU   2          1HD2      LEU   2   2.353   2.156  -8.136
   19   2HD2  LEU   2          2HD2      LEU   2   0.781   2.440  -8.921
   20   3HD2  LEU   2          3HD2      LEU   2   1.211   3.333  -7.443
   21    HA   PRO   3           HA       PRO   3   2.071  -2.974  -7.413
   22   1HB   PRO   3          2HB       PRO   3   4.791  -3.244  -7.437
   23   2HB   PRO   3          3HB       PRO   3   3.922  -2.193  -8.537
   24   1HG   PRO   3          2HG       PRO   3   5.529  -1.471  -6.162
   25   2HG   PRO   3          3HG       PRO   3   5.019  -0.452  -7.494
   26   1HD   PRO   3          2HD       PRO   3   3.887  -0.526  -4.859
   27   2HD   PRO   3          3HD       PRO   3   3.305   0.406  -6.223
   28    H    LEU   4           HN       LEU   4   4.276  -2.898  -4.647
   29    HA   LEU   4           HA       LEU   4   4.395  -5.659  -4.382
   30   1HB   LEU   4          2HB       LEU   4   4.772  -3.435  -2.376
   31   2HB   LEU   4          3HB       LEU   4   5.131  -5.118  -2.045
   32    HG   LEU   4           HG       LEU   4   6.441  -3.443  -4.205
   33   1HD1  LEU   4          1HD1      LEU   4   8.400  -3.388  -2.807
   34   2HD1  LEU   4          2HD1      LEU   4   7.014  -2.746  -1.892
   35   3HD1  LEU   4          3HD1      LEU   4   7.602  -4.395  -1.575
   36   1HD2  LEU   4          1HD2      LEU   4   6.498  -5.660  -4.978
   37   2HD2  LEU   4          2HD2      LEU   4   8.081  -5.400  -4.206
   38   3HD2  LEU   4          3HD2      LEU   4   6.813  -6.314  -3.352
   39    H    LEU   5           HN       LEU   5   1.980  -3.267  -3.323
   40    HA   LEU   5           HA       LEU   5   0.699  -5.013  -1.493
   41   1HB   LEU   5          2HB       LEU   5   0.684  -2.442  -1.642
   42   2HB   LEU   5          3HB       LEU   5  -0.561  -2.649  -2.858
   43    HG   LEU   5           HG       LEU   5  -1.510  -2.180  -0.656
   44   1HD1  LEU   5          1HD1      LEU   5  -2.209  -5.050  -1.208
   45   2HD1  LEU   5          2HD1      LEU   5  -3.265  -3.684  -0.775
   46   3HD1  LEU   5          3HD1      LEU   5  -2.566  -3.785  -2.409
   47   1HD2  LEU   5          1HD2      LEU   5   0.442  -3.401   0.535
   48   2HD2  LEU   5          2HD2      LEU   5  -1.183  -3.446   1.260
   49   3HD2  LEU   5          3HD2      LEU   5  -0.574  -4.852   0.356
   50    H    ILE   6           HN       ILE   6  -0.077  -3.914  -4.868
   51    HA   ILE   6           HA       ILE   6  -2.311  -5.553  -5.148
   52    HB   ILE   6           HB       ILE   6  -1.998  -5.160  -7.560
   53   1HG1  ILE   6          2HG1      ILE   6   0.581  -3.798  -6.726
   54   2HG1  ILE   6          3HG1      ILE   6   0.456  -5.291  -7.636
   55   1HG2  ILE   6          1HG2      ILE   6  -1.559  -2.450  -6.840
   56   2HG2  ILE   6          2HG2      ILE   6  -3.102  -3.289  -7.125
   57   3HG2  ILE   6          3HG2      ILE   6  -2.409  -3.233  -5.486
   58   1HD1  ILE   6          1HD1      ILE   6  -0.917  -3.994  -9.375
   59   2HD1  ILE   6          2HD1      ILE   6  -0.445  -2.515  -8.505
   60   3HD1  ILE   6          3HD1      ILE   6   0.800  -3.543  -9.253
   61    H    LEU   7           HN       LEU   7   1.192  -6.137  -5.623
   62    HA   LEU   7           HA       LEU   7   0.942  -8.559  -6.986
   63   1HB   LEU   7          2HB       LEU   7   2.981  -7.245  -6.903
   64   2HB   LEU   7          3HB       LEU   7   3.122  -7.510  -5.177
   65    HG   LEU   7           HG       LEU   7   3.319  -9.987  -5.665
   66   1HD1  LEU   7          1HD1      LEU   7   4.219 -10.381  -8.081
   67   2HD1  LEU   7          2HD1      LEU   7   2.465 -10.359  -7.777
   68   3HD1  LEU   7          3HD1      LEU   7   3.266  -8.930  -8.474
   69   1HD2  LEU   7          1HD2      LEU   7   5.686  -9.844  -6.308
   70   2HD2  LEU   7          2HD2      LEU   7   5.450  -8.145  -6.783
   71   3HD2  LEU   7          3HD2      LEU   7   5.251  -8.629  -5.082
   72    H    GLY   8           HN       GLY   8   1.414  -7.878  -3.448
   73   1HA   GLY   8          1HA       GLY   8   1.329 -10.506  -2.563
   74   2HA   GLY   8          2HA       GLY   8   0.880  -9.089  -1.634
   75    H    SER   9           HN       SER   9  -1.334  -8.174  -3.286
   76    HA   SER   9           HA       SER   9  -3.256 -10.102  -2.367
   77   1HB   SER   9          2HB       SER   9  -3.554  -7.673  -1.897
   78   2HB   SER   9          3HB       SER   9  -3.625  -7.343  -3.616
   79    HG   SER   9           HG       SER   9  -5.427  -9.301  -2.606
   80    H    LEU  10           HN       LEU  10  -1.427 -10.516  -4.800
   81    HA   LEU  10           HA       LEU  10  -3.516 -10.730  -6.850
   82   1HB   LEU  10          2HB       LEU  10  -1.028  -9.562  -6.980
   83   2HB   LEU  10          3HB       LEU  10  -0.732 -11.150  -7.661
   84    HG   LEU  10           HG       LEU  10  -1.240  -9.539  -9.405
   85   1HD1  LEU  10          1HD1      LEU  10  -1.970 -11.948  -9.582
   86   2HD1  LEU  10          2HD1      LEU  10  -3.608 -11.403  -9.150
   87   3HD1  LEU  10          3HD1      LEU  10  -2.832 -10.799 -10.634
   88   1HD2  LEU  10          1HD2      LEU  10  -3.168  -8.576  -7.561
   89   2HD2  LEU  10          2HD2      LEU  10  -2.726  -7.915  -9.153
   90   3HD2  LEU  10          3HD2      LEU  10  -4.042  -9.106  -9.018
   91    H    LEU  11           HN       LEU  11  -0.825 -12.451  -5.170
   92    HA   LEU  11           HA       LEU  11  -2.034 -14.953  -6.123
   93   1HB   LEU  11          2HB       LEU  11   0.150 -15.969  -5.855
   94   2HB   LEU  11          3HB       LEU  11   0.185 -14.640  -6.996
   95    HG   LEU  11           HG       LEU  11   0.893 -13.892  -4.227
   96   1HD1  LEU  11          1HD1      LEU  11   2.677 -15.763  -5.809
   97   2HD1  LEU  11          2HD1      LEU  11   3.164 -14.848  -4.361
   98   3HD1  LEU  11          3HD1      LEU  11   1.900 -16.096  -4.242
   99   1HD2  LEU  11          1HD2      LEU  11   1.041 -12.588  -6.515
  100   2HD2  LEU  11          2HD2      LEU  11   2.262 -12.361  -5.240
  101   3HD2  LEU  11          3HD2      LEU  11   2.612 -13.417  -6.629
  102    H    MET  12           HN       MET  12  -2.890 -13.212  -3.839
  103    HA   MET  12           HA       MET  12  -2.657 -15.290  -1.836
  104   1HB   MET  12          2HB       MET  12  -2.059 -12.309  -1.442
  105   2HB   MET  12          3HB       MET  12  -2.379 -13.384  -0.095
  106   1HG   MET  12          2HG       MET  12  -0.462 -14.854  -0.877
  107   2HG   MET  12          3HG       MET  12  -0.110 -13.674  -2.124
  108   1HE   MET  12          1HE       MET  12   0.654 -14.854   1.292
  109   2HE   MET  12          2HE       MET  12   0.783 -13.414   2.331
  110   3HE   MET  12          3HE       MET  12  -0.812 -13.957   1.757
  111    H    THR  13           HN       THR  13  -4.043 -11.963  -2.379
  112    HA   THR  13           HA       THR  13  -6.711 -13.061  -2.076
  113    HB   THR  13           HB       THR  13  -5.646 -10.876  -0.212
  114    HG1  THR  13           HG1      THR  13  -4.810 -12.812   0.583
  115   1HG2  THR  13          1HG2      THR  13  -7.739 -11.346   1.040
  116   2HG2  THR  13          2HG2      THR  13  -8.133 -10.836  -0.619
  117   3HG2  THR  13          3HG2      THR  13  -8.209 -12.558  -0.176
  118    HA   PRO  14           HA       PRO  14  -7.289 -10.040  -5.087
  119   1HB   PRO  14          2HB       PRO  14  -9.984 -10.321  -5.442
  120   2HB   PRO  14          3HB       PRO  14  -8.802 -11.366  -6.206
  121   1HG   PRO  14          2HG       PRO  14 -10.572 -11.939  -3.909
  122   2HG   PRO  14          3HG       PRO  14  -9.714 -13.065  -4.941
  123   1HD   PRO  14          2HD       PRO  14  -8.989 -12.284  -2.278
  124   2HD   PRO  14          3HD       PRO  14  -8.071 -13.319  -3.353
  125    HA   PRO  15           HA       PRO  15  -8.653  -6.433  -3.316
  126   1HB   PRO  15          2HB       PRO  15  -9.623  -4.956  -5.401
  127   2HB   PRO  15          3HB       PRO  15  -7.913  -5.119  -5.056
  128   1HG   PRO  15          2HG       PRO  15  -9.501  -6.397  -7.196
  129   2HG   PRO  15          3HG       PRO  15  -7.763  -6.203  -7.086
  130   1HD   PRO  15          2HD       PRO  15  -9.257  -8.602  -6.594
  131   2HD   PRO  15          3HD       PRO  15  -7.533  -8.376  -6.372
  132    H    VAL  16           HN       VAL  16 -10.296  -8.156  -2.387
  133    HA   VAL  16           HA       VAL  16 -12.923  -7.995  -3.257
  134    HB   VAL  16           HB       VAL  16 -13.437  -8.770  -0.931
  135   1HG1  VAL  16          1HG1      VAL  16 -11.129 -10.295  -2.166
  136   2HG1  VAL  16          2HG1      VAL  16 -12.516 -10.939  -1.254
  137   3HG1  VAL  16          3HG1      VAL  16 -12.759 -10.254  -2.880
  138   1HG2  VAL  16          1HG2      VAL  16 -11.104  -9.479   0.217
  139   2HG2  VAL  16          2HG2      VAL  16 -10.601  -7.955  -0.552
  140   3HG2  VAL  16          3HG2      VAL  16 -11.959  -7.965   0.598
  141    H    ILE  17           HN       ILE  17 -11.142  -6.070  -0.758
  142    HA   ILE  17           HA       ILE  17 -13.276  -4.553   0.102
  143    HB   ILE  17           HB       ILE  17 -11.493  -2.873   0.686
  144   1HG1  ILE  17          2HG1      ILE  17  -9.563  -4.959  -0.354
  145   2HG1  ILE  17          3HG1      ILE  17 -10.016  -3.542  -1.279
  146   1HG2  ILE  17          1HG2      ILE  17 -10.797  -5.675   1.571
  147   2HG2  ILE  17          2HG2      ILE  17 -10.697  -4.155   2.491
  148   3HG2  ILE  17          3HG2      ILE  17 -12.286  -4.849   2.088
  149   1HD1  ILE  17          1HD1      ILE  17  -9.306  -2.113   0.715
  150   2HD1  ILE  17          2HD1      ILE  17  -8.652  -3.599   1.446
  151   3HD1  ILE  17          3HD1      ILE  17  -7.984  -2.994  -0.089
  152    H    GLN  18           HN       GLN  18 -11.560  -4.534  -2.959
  153    HA   GLN  18           HA       GLN  18 -12.705  -1.944  -3.582
  154   1HB   GLN  18          2HB       GLN  18 -10.690  -3.656  -5.103
  155   2HB   GLN  18          3HB       GLN  18 -11.252  -2.082  -5.628
  156   1HG   GLN  18          2HG       GLN  18 -10.408  -1.107  -3.443
  157   2HG   GLN  18          3HG       GLN  18  -9.749  -2.679  -3.037
  158   1HE2  GLN  18          1HE2      GLN  18  -7.690  -2.880  -3.410
  159   2HE2  GLN  18          2HE2      GLN  18  -6.768  -2.144  -4.678
  160    H    ALA  19           HN       ALA  19 -12.731  -5.409  -4.523
  161    HA   ALA  19           HA       ALA  19 -14.310  -5.165  -6.804
  162   1HB   ALA  19          1HB       ALA  19 -13.083  -7.191  -6.269
  163   2HB   ALA  19          2HB       ALA  19 -14.007  -7.401  -4.762
  164   3HB   ALA  19          3HB       ALA  19 -14.819  -7.580  -6.336
  165    H    ILE  20           HN       ILE  20 -15.217  -5.790  -3.344
  166    HA   ILE  20           HA       ILE  20 -17.989  -5.778  -3.938
  167    HB   ILE  20           HB       ILE  20 -18.277  -6.360  -1.780
  168   1HG1  ILE  20          2HG1      ILE  20 -17.659  -4.144  -0.885
  169   2HG1  ILE  20          3HG1      ILE  20 -17.129  -5.463   0.141
  170   1HG2  ILE  20          1HG2      ILE  20 -15.346  -6.865  -1.553
  171   2HG2  ILE  20          2HG2      ILE  20 -16.728  -7.947  -1.258
  172   3HG2  ILE  20          3HG2      ILE  20 -16.220  -7.587  -2.926
  173   1HD1  ILE  20          1HD1      ILE  20 -14.924  -4.959  -0.148
  174   2HD1  ILE  20          2HD1      ILE  20 -15.121  -4.710  -1.900
  175   3HD1  ILE  20          3HD1      ILE  20 -15.514  -3.397  -0.764
  176    H    HIS  21           HN       HIS  21 -15.552  -3.323  -3.296
  177    HA   HIS  21           HA       HIS  21 -17.353  -1.367  -2.341
  178   1HB   HIS  21          2HB       HIS  21 -15.084  -1.143  -1.734
  179   2HB   HIS  21          3HB       HIS  21 -14.525  -1.321  -3.385
  180    HD1  HIS  21           HD1      HIS  21 -17.292   1.068  -2.298
  181    HD2  HIS  21           HD2      HIS  21 -13.327   1.159  -3.665
  182    HE1  HIS  21           HE1      HIS  21 -16.745   3.520  -2.742
  183    HE2  HIS  21           HE2      HIS  21 -14.280   3.519  -3.527
  184    H    ASP  22           HN       ASP  22 -15.921  -2.158  -5.562
  185    HA   ASP  22           HA       ASP  22 -16.927   0.003  -6.909
  186   1HB   ASP  22          2HB       ASP  22 -15.514  -2.325  -7.532
  187   2HB   ASP  22          3HB       ASP  22 -17.009  -2.549  -8.418
  188    H    ALA  23           HN       ALA  23 -18.391  -3.099  -5.883
  189    HA   ALA  23           HA       ALA  23 -20.734  -2.824  -7.483
  190   1HB   ALA  23          1HB       ALA  23 -21.505  -4.755  -6.181
  191   2HB   ALA  23          2HB       ALA  23 -19.820  -4.998  -6.700
  192   3HB   ALA  23          3HB       ALA  23 -20.176  -4.527  -5.020
  193    H    GLN  24           HN       GLN  24 -19.774  -2.077  -4.088
  194    HA   GLN  24           HA       GLN  24 -22.390  -0.892  -3.706
  195   1HB   GLN  24          2HB       GLN  24 -21.907  -0.904  -1.355
  196   2HB   GLN  24          3HB       GLN  24 -21.363  -2.450  -1.976
  197   1HG   GLN  24          2HG       GLN  24 -19.057  -1.804  -1.911
  198   2HG   GLN  24          3HG       GLN  24 -19.445  -0.099  -1.792
  199   1HE2  GLN  24          1HE2      GLN  24 -21.210  -2.555  -0.041
  200   2HE2  GLN  24          2HE2      GLN  24 -20.645  -2.180   1.553
  201    H    ARG  25           HN       ARG  25 -18.989  -0.118  -4.248
  202    HA   ARG  25           HA       ARG  25 -17.883   1.737  -4.393
  203   1HB   ARG  25          2HB       ARG  25 -20.628   2.826  -5.186
  204   2HB   ARG  25          3HB       ARG  25 -19.148   3.746  -5.373
  205   1HG   ARG  25          2HG       ARG  25 -18.245   2.184  -6.967
  206   2HG   ARG  25          3HG       ARG  25 -19.426   0.956  -6.557
  207   1HD   ARG  25          2HD       ARG  25 -21.232   2.625  -7.392
  208   2HD   ARG  25          3HD       ARG  25 -19.912   3.564  -8.060
  209    HE   ARG  25           HE       ARG  25 -20.181   0.672  -8.782
  210   1HH1  ARG  25          2HH2      ARG  25 -20.121   4.060  -9.731
  211   2HH1  ARG  25          1HH2      ARG  25 -20.051   3.716 -11.428
  212   1HH2  ARG  25          2HH1      ARG  25 -20.089   0.217 -11.020
  213   2HH2  ARG  25          1HH1      ARG  25 -20.033   1.515 -12.165
  Start of MODEL    5
    1   1H    PHE   1           HN       PHE   1   1.884   0.000   0.829
    2    HA   PHE   1           HA       PHE   1   2.678   0.907  -1.259
    3   1HB   PHE   1          2HB       PHE   1   3.585  -1.249  -2.119
    4   2HB   PHE   1          3HB       PHE   1   3.527  -1.314  -0.369
    5    HD1  PHE   1           HD1      PHE   1   2.631  -2.966  -3.354
    6    HD2  PHE   1           HD2      PHE   1   1.377  -2.389   0.659
    7    HE1  PHE   1           HE1      PHE   1   1.268  -5.070  -3.477
    8    HE2  PHE   1           HE2      PHE   1   0.014  -4.493   0.536
    9    HZ   PHE   1           HZ       PHE   1  -0.024  -5.809  -1.531
   10    H    LEU   2           HN       LEU   2   2.543  -0.947  -3.612
   11    HA   LEU   2           HA       LEU   2   1.124   0.140  -5.416
   12   1HB   LEU   2          2HB       LEU   2   1.794  -2.577  -4.858
   13   2HB   LEU   2          3HB       LEU   2   0.196  -2.546  -5.576
   14    HG   LEU   2           HG       LEU   2   2.650  -1.239  -6.783
   15   1HD1  LEU   2          1HD1      LEU   2   1.328  -3.886  -7.436
   16   2HD1  LEU   2          2HD1      LEU   2   2.589  -3.099  -8.415
   17   3HD1  LEU   2          3HD1      LEU   2   2.954  -3.635  -6.758
   18   1HD2  LEU   2          1HD2      LEU   2  -0.156  -1.643  -7.848
   19   2HD2  LEU   2          2HD2      LEU   2   0.664  -0.102  -7.502
   20   3HD2  LEU   2          3HD2      LEU   2   1.235  -1.134  -8.835
   21    HA   PRO   3           HA       PRO   3  -3.135  -1.175  -3.909
   22   1HB   PRO   3          2HB       PRO   3  -3.443  -2.666  -1.639
   23   2HB   PRO   3          3HB       PRO   3  -3.366  -3.367  -3.243
   24   1HG   PRO   3          2HG       PRO   3  -1.298  -3.339  -1.131
   25   2HG   PRO   3          3HG       PRO   3  -1.411  -4.371  -2.542
   26   1HD   PRO   3          2HD       PRO   3   0.330  -2.117  -2.201
   27   2HD   PRO   3          3HD       PRO   3   0.132  -3.079  -3.652
   28    H    LEU   4           HN       LEU   4  -1.300  -0.915  -0.896
   29    HA   LEU   4           HA       LEU   4  -3.224   0.715   0.321
   30   1HB   LEU   4          2HB       LEU   4  -0.398  -0.070   0.849
   31   2HB   LEU   4          3HB       LEU   4  -1.043   1.308   1.718
   32    HG   LEU   4           HG       LEU   4  -1.267  -0.678   3.062
   33   1HD1  LEU   4          1HD1      LEU   4  -3.144   1.123   2.874
   34   2HD1  LEU   4          2HD1      LEU   4  -4.082  -0.197   2.135
   35   3HD1  LEU   4          3HD1      LEU   4  -3.439  -0.377   3.785
   36   1HD2  LEU   4          1HD2      LEU   4  -2.487  -2.638   2.413
   37   2HD2  LEU   4          2HD2      LEU   4  -2.975  -1.889   0.873
   38   3HD2  LEU   4          3HD2      LEU   4  -1.266  -2.296   1.163
   39    H    LEU   5           HN       LEU   5  -0.450   1.375  -1.825
   40    HA   LEU   5           HA       LEU   5  -0.293   4.125  -1.302
   41   1HB   LEU   5          2HB       LEU   5   0.773   2.196  -3.243
   42   2HB   LEU   5          3HB       LEU   5   0.586   3.818  -3.880
   43    HG   LEU   5           HG       LEU   5   2.838   3.406  -2.991
   44   1HD1  LEU   5          1HD1      LEU   5   1.710   5.683  -2.961
   45   2HD1  LEU   5          2HD1      LEU   5   1.458   5.425  -1.218
   46   3HD1  LEU   5          3HD1      LEU   5   3.109   5.469  -1.881
   47   1HD2  LEU   5          1HD2      LEU   5   1.916   1.846  -1.143
   48   2HD2  LEU   5          2HD2      LEU   5   3.334   2.861  -0.789
   49   3HD2  LEU   5          3HD2      LEU   5   1.725   3.341  -0.197
   50    H    ILE   6           HN       ILE   6  -1.915   2.292  -3.989
   51    HA   ILE   6           HA       ILE   6  -3.084   4.549  -5.131
   52    HB   ILE   6           HB       ILE   6  -4.558   2.924  -6.250
   53   1HG1  ILE   6          2HG1      ILE   6  -3.235   0.901  -4.419
   54   2HG1  ILE   6          3HG1      ILE   6  -4.923   1.372  -4.399
   55   1HG2  ILE   6          1HG2      ILE   6  -2.192   1.420  -6.701
   56   2HG2  ILE   6          2HG2      ILE   6  -2.863   2.756  -7.667
   57   3HG2  ILE   6          3HG2      ILE   6  -1.707   3.098  -6.357
   58   1HD1  ILE   6          1HD1      ILE   6  -4.990   0.638  -6.891
   59   2HD1  ILE   6          2HD1      ILE   6  -3.428  -0.150  -6.564
   60   3HD1  ILE   6          3HD1      ILE   6  -4.881  -0.646  -5.664
   61    H    LEU   7           HN       LEU   7  -4.123   2.362  -2.483
   62    HA   LEU   7           HA       LEU   7  -6.749   3.289  -2.313
   63   1HB   LEU   7          2HB       LEU   7  -5.943   1.217  -1.318
   64   2HB   LEU   7          3HB       LEU   7  -4.930   2.115  -0.206
   65    HG   LEU   7           HG       LEU   7  -7.015   3.153   0.750
   66   1HD1  LEU   7          1HD1      LEU   7  -9.129   1.755   0.309
   67   2HD1  LEU   7          2HD1      LEU   7  -8.645   2.959  -0.909
   68   3HD1  LEU   7          3HD1      LEU   7  -8.305   1.233  -1.180
   69   1HD2  LEU   7          1HD2      LEU   7  -7.656   1.143   2.043
   70   2HD2  LEU   7          2HD2      LEU   7  -6.723   0.141   0.905
   71   3HD2  LEU   7          3HD2      LEU   7  -5.894   1.354   1.909
   72    H    GLY   8           HN       GLY   8  -3.763   4.278  -0.499
   73   1HA   GLY   8          1HA       GLY   8  -4.916   6.278   1.040
   74   2HA   GLY   8          2HA       GLY   8  -3.240   6.204   0.532
   75    H    SER   9           HN       SER   9  -3.666   6.335  -2.348
   76    HA   SER   9           HA       SER   9  -4.232   9.156  -2.474
   77   1HB   SER   9          2HB       SER   9  -2.153   8.062  -3.493
   78   2HB   SER   9          3HB       SER   9  -3.206   7.332  -4.689
   79    HG   SER   9           HG       SER   9  -3.784   9.396  -5.469
   80    H    LEU  10           HN       LEU  10  -6.435   7.190  -2.083
   81    HA   LEU  10           HA       LEU  10  -7.883   7.716  -4.585
   82   1HB   LEU  10          2HB       LEU  10  -7.236   5.229  -3.489
   83   2HB   LEU  10          3HB       LEU  10  -8.915   5.480  -3.055
   84    HG   LEU  10           HG       LEU  10  -8.776   4.256  -5.128
   85   1HD1  LEU  10          1HD1      LEU  10 -10.368   5.420  -6.342
   86   2HD1  LEU  10          2HD1      LEU  10 -10.512   6.144  -4.722
   87   3HD1  LEU  10          3HD1      LEU  10  -9.625   7.002  -6.005
   88   1HD2  LEU  10          1HD2      LEU  10  -6.933   6.477  -5.961
   89   2HD2  LEU  10          2HD2      LEU  10  -6.729   4.714  -6.102
   90   3HD2  LEU  10          3HD2      LEU  10  -7.859   5.568  -7.180
   91    H    LEU  11           HN       LEU  11  -8.055   7.246  -1.006
   92    HA   LEU  11           HA       LEU  11 -10.668   8.023  -0.644
   93   1HB   LEU  11          2HB       LEU  11  -8.196   7.966   0.993
   94   2HB   LEU  11          3HB       LEU  11  -9.509   8.961   1.593
   95    HG   LEU  11           HG       LEU  11  -9.600   6.765   2.597
   96   1HD1  LEU  11          1HD1      LEU  11 -11.879   6.747   0.636
   97   2HD1  LEU  11          2HD1      LEU  11 -11.873   6.369   2.375
   98   3HD1  LEU  11          3HD1      LEU  11 -11.715   8.056   1.830
   99   1HD2  LEU  11          1HD2      LEU  11  -8.424   5.552   0.777
  100   2HD2  LEU  11          2HD2      LEU  11  -9.889   4.721   1.354
  101   3HD2  LEU  11          3HD2      LEU  11  -9.919   5.612  -0.187
  102    H    MET  12           HN       MET  12  -7.716  10.136  -0.393
  103    HA   MET  12           HA       MET  12  -9.478  12.324  -1.188
  104   1HB   MET  12          2HB       MET  12  -7.150  12.225   0.799
  105   2HB   MET  12          3HB       MET  12  -7.757  13.745   0.173
  106   1HG   MET  12          2HG       MET  12 -10.053  13.158   1.033
  107   2HG   MET  12          3HG       MET  12  -9.407  11.672   1.702
  108   1HE   MET  12          1HE       MET  12  -7.134  11.783   3.329
  109   2HE   MET  12          2HE       MET  12  -7.623  12.609   4.828
  110   3HE   MET  12          3HE       MET  12  -8.745  11.486   4.023
  111    H    THR  13           HN       THR  13  -8.038  10.612  -3.024
  112    HA   THR  13           HA       THR  13  -6.457  12.630  -4.345
  113    HB   THR  13           HB       THR  13  -5.195   9.956  -3.548
  114    HG1  THR  13           HG1      THR  13  -5.042  11.168  -1.680
  115   1HG2  THR  13          1HG2      THR  13  -4.277  11.087  -5.633
  116   2HG2  THR  13          2HG2      THR  13  -3.972  12.539  -4.650
  117   3HG2  THR  13          3HG2      THR  13  -3.107  11.025  -4.293
  118    HA   PRO  14           HA       PRO  14  -8.240  10.590  -7.688
  119   1HB   PRO  14          2HB       PRO  14  -6.879  11.782  -9.736
  120   2HB   PRO  14          3HB       PRO  14  -8.253  12.523  -8.940
  121   1HG   PRO  14          2HG       PRO  14  -5.382  13.169  -8.665
  122   2HG   PRO  14          3HG       PRO  14  -6.773  14.142  -8.228
  123   1HD   PRO  14          2HD       PRO  14  -5.083  12.663  -6.443
  124   2HD   PRO  14          3HD       PRO  14  -6.540  13.540  -6.021
  125    HA   PRO  15           HA       PRO  15  -5.837   7.383  -9.114
  126   1HB   PRO  15          2HB       PRO  15  -6.580   6.962 -11.711
  127   2HB   PRO  15          3HB       PRO  15  -7.526   6.412 -10.342
  128   1HG   PRO  15          2HG       PRO  15  -8.037   8.694 -12.151
  129   2HG   PRO  15          3HG       PRO  15  -9.151   7.877 -11.073
  130   1HD   PRO  15          2HD       PRO  15  -7.898  10.422 -10.642
  131   2HD   PRO  15          3HD       PRO  15  -8.920   9.552  -9.514
  132    H    VAL  16           HN       VAL  16  -4.183   9.361  -8.826
  133    HA   VAL  16           HA       VAL  16  -2.956  10.289 -11.132
  134    HB   VAL  16           HB       VAL  16  -1.018  10.684  -9.613
  135   1HG1  VAL  16          1HG1      VAL  16  -3.004  12.227  -9.849
  136   2HG1  VAL  16          2HG1      VAL  16  -3.655  11.503  -8.360
  137   3HG1  VAL  16          3HG1      VAL  16  -2.105  12.376  -8.320
  138   1HG2  VAL  16          1HG2      VAL  16  -1.723  10.255  -7.096
  139   2HG2  VAL  16          2HG2      VAL  16  -2.658   8.926  -7.822
  140   3HG2  VAL  16          3HG2      VAL  16  -0.894   9.001  -8.049
  141    H    ILE  17           HN       ILE  17  -2.237   7.385  -9.086
  142    HA   ILE  17           HA       ILE  17  -0.027   6.497 -10.443
  143    HB   ILE  17           HB       ILE  17  -0.765   4.228  -9.642
  144   1HG1  ILE  17          2HG1      ILE  17  -3.074   5.769  -8.424
  145   2HG1  ILE  17          3HG1      ILE  17  -3.217   4.701  -9.806
  146   1HG2  ILE  17          1HG2      ILE  17   0.639   5.877  -8.360
  147   2HG2  ILE  17          2HG2      ILE  17  -0.846   6.379  -7.517
  148   3HG2  ILE  17          3HG2      ILE  17  -0.260   4.705  -7.368
  149   1HD1  ILE  17          1HD1      ILE  17  -2.220   3.894  -7.034
  150   2HD1  ILE  17          2HD1      ILE  17  -3.810   3.502  -7.733
  151   3HD1  ILE  17          3HD1      ILE  17  -2.332   2.806  -8.439
  152    H    GLN  18           HN       GLN  18  -3.420   6.540 -11.422
  153    HA   GLN  18           HA       GLN  18  -2.744   4.841 -13.679
  154   1HB   GLN  18          2HB       GLN  18  -5.437   5.781 -12.601
  155   2HB   GLN  18          3HB       GLN  18  -5.250   4.808 -14.046
  156   1HG   GLN  18          2HG       GLN  18  -3.938   3.128 -12.571
  157   2HG   GLN  18          3HG       GLN  18  -4.515   4.040 -11.190
  158   1HE2  GLN  18          1HE2      GLN  18  -6.243   3.268 -10.275
  159   2HE2  GLN  18          2HE2      GLN  18  -7.543   2.404 -11.026
  160    H    ALA  19           HN       ALA  19  -3.838   8.112 -12.730
  161    HA   ALA  19           HA       ALA  19  -4.531   9.075 -15.236
  162   1HB   ALA  19          1HB       ALA  19  -3.376  10.375 -12.746
  163   2HB   ALA  19          2HB       ALA  19  -3.895  11.309 -14.169
  164   3HB   ALA  19          3HB       ALA  19  -5.075  10.324 -13.272
  165    H    ILE  20           HN       ILE  20  -1.340   9.213 -13.499
  166    HA   ILE  20           HA       ILE  20  -0.039  10.386 -15.721
  167    HB   ILE  20           HB       ILE  20   1.790  10.484 -14.386
  168   1HG1  ILE  20          2HG1      ILE  20   2.093   8.003 -14.333
  169   2HG1  ILE  20          3HG1      ILE  20   2.582   8.830 -12.867
  170   1HG2  ILE  20          1HG2      ILE  20  -0.431  11.237 -13.206
  171   2HG2  ILE  20          2HG2      ILE  20  -0.050   9.900 -12.095
  172   3HG2  ILE  20          3HG2      ILE  20   1.113  11.228 -12.321
  173   1HD1  ILE  20          1HD1      ILE  20  -0.261   7.863 -13.000
  174   2HD1  ILE  20          2HD1      ILE  20   1.019   6.641 -12.807
  175   3HD1  ILE  20          3HD1      ILE  20   0.846   7.945 -11.608
  176    H    HIS  21           HN       HIS  21  -0.817   7.086 -14.717
  177    HA   HIS  21           HA       HIS  21   1.191   5.813 -16.205
  178   1HB   HIS  21          2HB       HIS  21   0.244   4.537 -14.508
  179   2HB   HIS  21          3HB       HIS  21  -1.397   4.978 -14.935
  180    HD1  HIS  21           HD1      HIS  21   1.070   3.653 -17.499
  181    HD2  HIS  21           HD2      HIS  21  -2.279   2.359 -15.330
  182    HE1  HIS  21           HE1      HIS  21   0.396   1.405 -18.499
  183    HE2  HIS  21           HE2      HIS  21  -1.633   0.634 -17.090
  184    H    ASP  22           HN       ASP  22  -2.223   6.746 -16.920
  185    HA   ASP  22           HA       ASP  22  -2.507   5.491 -19.299
  186   1HB   ASP  22          2HB       ASP  22  -3.963   7.301 -17.836
  187   2HB   ASP  22          3HB       ASP  22  -3.482   8.320 -19.178
  188    H    ALA  23           HN       ALA  23  -0.960   8.666 -18.510
  189    HA   ALA  23           HA       ALA  23  -0.475   9.407 -21.192
  190   1HB   ALA  23          1HB       ALA  23   1.169  10.997 -20.019
  191   2HB   ALA  23          2HB       ALA  23  -0.541  11.119 -19.541
  192   3HB   ALA  23          3HB       ALA  23   0.617  10.265 -18.494
  193    H    GLN  24           HN       GLN  24   1.390   7.636 -18.669
  194    HA   GLN  24           HA       GLN  24   3.693   7.476 -20.298
  195   1HB   GLN  24          2HB       GLN  24   2.850   5.959 -17.791
  196   2HB   GLN  24          3HB       GLN  24   4.423   5.786 -18.543
  197   1HG   GLN  24          2HG       GLN  24   3.354   8.013 -16.901
  198   2HG   GLN  24          3HG       GLN  24   5.012   7.495 -17.129
  199   1HE2  GLN  24          1HE2      GLN  24   2.750   9.844 -17.771
  200   2HE2  GLN  24          2HE2      GLN  24   3.529  10.698 -19.061
  201    H    ARG  25           HN       ARG  25   1.015   5.207 -19.396
  202    HA   ARG  25           HA       ARG  25   0.370   3.313 -20.227
  203   1HB   ARG  25          2HB       ARG  25   0.993   5.016 -22.591
  204   2HB   ARG  25          3HB       ARG  25   0.891   3.307 -22.962
  205   1HG   ARG  25          2HG       ARG  25  -1.361   3.165 -21.994
  206   2HG   ARG  25          3HG       ARG  25  -1.256   4.809 -21.394
  207   1HD   ARG  25          2HD       ARG  25  -1.153   4.042 -24.353
  208   2HD   ARG  25          3HD       ARG  25  -2.589   4.616 -23.528
  209    HE   ARG  25           HE       ARG  25  -1.218   6.727 -23.012
  210   1HH1  ARG  25          2HH2      ARG  25  -0.530   4.704 -25.808
  211   2HH1  ARG  25          1HH2      ARG  25   0.174   5.992 -26.727
  212   1HH2  ARG  25          2HH1      ARG  25  -0.289   8.427 -24.224
  213   2HH2  ARG  25          1HH1      ARG  25   0.312   8.124 -25.820
  Start of MODEL    6
    1   1H    PHE   1           HN       PHE   1   1.884   0.000   0.829
    2    HA   PHE   1           HA       PHE   1   2.678   0.907  -1.259
    3   1HB   PHE   1          2HB       PHE   1   2.972  -1.678  -0.252
    4   2HB   PHE   1          3HB       PHE   1   2.393  -2.030  -1.868
    5    HD1  PHE   1           HD1      PHE   1   4.006  -2.403  -3.459
    6    HD2  PHE   1           HD2      PHE   1   4.892   0.248  -0.266
    7    HE1  PHE   1           HE1      PHE   1   6.329  -2.095  -4.360
    8    HE2  PHE   1           HE2      PHE   1   7.214   0.557  -1.167
    9    HZ   PHE   1           HZ       PHE   1   7.905  -0.618  -3.203
   10    H    LEU   2           HN       LEU   2   2.724   0.083  -3.753
   11    HA   LEU   2           HA       LEU   2  -0.064   0.349  -4.600
   12   1HB   LEU   2          2HB       LEU   2   2.436   1.539  -5.405
   13   2HB   LEU   2          3HB       LEU   2   1.689   0.730  -6.769
   14    HG   LEU   2           HG       LEU   2  -0.465   2.019  -6.058
   15   1HD1  LEU   2          1HD1      LEU   2   0.222   2.866  -3.934
   16   2HD1  LEU   2          2HD1      LEU   2   1.682   3.607  -4.633
   17   3HD1  LEU   2          3HD1      LEU   2   0.074   4.247  -5.046
   18   1HD2  LEU   2          1HD2      LEU   2   0.606   2.417  -8.158
   19   2HD2  LEU   2          2HD2      LEU   2   0.275   3.994  -7.403
   20   3HD2  LEU   2          3HD2      LEU   2   1.924   3.326  -7.381
   21    HA   PRO   3           HA       PRO   3   1.539  -3.210  -7.198
   22   1HB   PRO   3          2HB       PRO   3   4.184  -3.898  -7.233
   23   2HB   PRO   3          3HB       PRO   3   3.462  -2.807  -8.398
   24   1HG   PRO   3          2HG       PRO   3   5.214  -2.173  -6.103
   25   2HG   PRO   3          3HG       PRO   3   4.836  -1.186  -7.501
   26   1HD   PRO   3          2HD       PRO   3   3.767  -0.894  -4.855
   27   2HD   PRO   3          3HD       PRO   3   3.304   0.016  -6.279
   28    H    LEU   4           HN       LEU   4   0.610  -4.990  -6.429
   29    HA   LEU   4           HA       LEU   4   0.657  -6.981  -5.400
   30   1HB   LEU   4          2HB       LEU   4   3.203  -6.692  -5.430
   31   2HB   LEU   4          3HB       LEU   4   3.047  -6.152  -3.771
   32    HG   LEU   4           HG       LEU   4   1.884  -8.353  -3.272
   33   1HD1  LEU   4          1HD1      LEU   4   1.166  -9.296  -5.230
   34   2HD1  LEU   4          2HD1      LEU   4   2.612  -8.792  -6.139
   35   3HD1  LEU   4          3HD1      LEU   4   2.704 -10.164  -5.007
   36   1HD2  LEU   4          1HD2      LEU   4   3.971  -9.589  -3.062
   37   2HD2  LEU   4          2HD2      LEU   4   4.761  -8.488  -4.216
   38   3HD2  LEU   4          3HD2      LEU   4   4.208  -7.877  -2.639
   39    H    LEU   5           HN       LEU   5  -0.675  -4.435  -4.661
   40    HA   LEU   5           HA       LEU   5  -1.663  -5.322  -2.131
   41   1HB   LEU   5          2HB       LEU   5   0.492  -3.840  -1.792
   42   2HB   LEU   5          3HB       LEU   5  -0.624  -2.522  -2.088
   43    HG   LEU   5           HG       LEU   5  -0.369  -2.885   0.288
   44   1HD1  LEU   5          1HD1      LEU   5  -2.623  -2.846   0.924
   45   2HD1  LEU   5          2HD1      LEU   5  -2.624  -2.275  -0.762
   46   3HD1  LEU   5          3HD1      LEU   5  -3.110  -3.946  -0.388
   47   1HD2  LEU   5          1HD2      LEU   5  -0.730  -4.895   1.424
   48   2HD2  LEU   5          2HD2      LEU   5  -1.566  -5.640   0.041
   49   3HD2  LEU   5          3HD2      LEU   5   0.193  -5.372  -0.022
   50    H    ILE   6           HN       ILE   6  -1.462  -2.602  -4.516
   51    HA   ILE   6           HA       ILE   6  -4.026  -1.629  -4.023
   52    HB   ILE   6           HB       ILE   6  -3.775  -0.538  -6.213
   53   1HG1  ILE   6          2HG1      ILE   6  -1.285  -2.251  -6.434
   54   2HG1  ILE   6          3HG1      ILE   6  -2.694  -2.299  -7.475
   55   1HG2  ILE   6          1HG2      ILE   6  -2.057  -0.298  -3.916
   56   2HG2  ILE   6          2HG2      ILE   6  -1.174   0.164  -5.391
   57   3HG2  ILE   6          3HG2      ILE   6  -2.709   0.968  -4.983
   58   1HD1  ILE   6          1HD1      ILE   6  -0.657  -0.057  -7.199
   59   2HD1  ILE   6          2HD1      ILE   6  -1.080  -0.987  -8.657
   60   3HD1  ILE   6          3HD1      ILE   6  -2.234   0.192  -7.987
   61    H    LEU   7           HN       LEU   7  -2.820  -4.374  -5.933
   62    HA   LEU   7           HA       LEU   7  -5.031  -4.756  -7.561
   63   1HB   LEU   7          2HB       LEU   7  -2.820  -6.454  -6.506
   64   2HB   LEU   7          3HB       LEU   7  -4.184  -7.254  -7.261
   65    HG   LEU   7           HG       LEU   7  -3.778  -5.627  -9.242
   66   1HD1  LEU   7          1HD1      LEU   7  -2.253  -4.051  -8.663
   67   2HD1  LEU   7          2HD1      LEU   7  -1.397  -5.126  -7.531
   68   3HD1  LEU   7          3HD1      LEU   7  -1.126  -5.282  -9.284
   69   1HD2  LEU   7          1HD2      LEU   7  -2.100  -7.167 -10.212
   70   2HD2  LEU   7          2HD2      LEU   7  -1.868  -7.891  -8.602
   71   3HD2  LEU   7          3HD2      LEU   7  -3.448  -8.013  -9.414
   72    H    GLY   8           HN       GLY   8  -4.303  -6.071  -4.260
   73   1HA   GLY   8          1HA       GLY   8  -6.600  -7.580  -3.922
   74   2HA   GLY   8          2HA       GLY   8  -5.671  -6.821  -2.644
   75    H    SER   9           HN       SER   9  -6.028  -4.045  -3.455
   76    HA   SER   9           HA       SER   9  -8.768  -3.780  -2.576
   77   1HB   SER   9          2HB       SER   9  -6.878  -2.601  -1.382
   78   2HB   SER   9          3HB       SER   9  -6.593  -1.655  -2.830
   79    HG   SER   9           HG       SER   9  -8.697  -0.735  -2.642
   80    H    LEU  10           HN       LEU  10  -7.884  -4.503  -5.412
   81    HA   LEU  10           HA       LEU  10  -8.947  -2.141  -6.792
   82   1HB   LEU  10          2HB       LEU  10  -6.633  -3.660  -7.240
   83   2HB   LEU  10          3HB       LEU  10  -7.746  -4.132  -8.508
   84    HG   LEU  10           HG       LEU  10  -6.331  -2.332  -9.275
   85   1HD1  LEU  10          1HD1      LEU  10  -7.973  -0.861 -10.162
   86   2HD1  LEU  10          2HD1      LEU  10  -8.746  -2.454  -9.981
   87   3HD1  LEU  10          3HD1      LEU  10  -9.080  -1.164  -8.802
   88   1HD2  LEU  10          1HD2      LEU  10  -6.647  -0.024  -8.187
   89   2HD2  LEU  10          2HD2      LEU  10  -7.261  -0.923  -6.779
   90   3HD2  LEU  10          3HD2      LEU  10  -5.603  -1.207  -7.363
   91    H    LEU  11           HN       LEU  11 -10.677  -3.882  -5.321
   92    HA   LEU  11           HA       LEU  11 -11.929  -5.413  -7.488
   93   1HB   LEU  11          2HB       LEU  11 -12.160  -5.683  -4.488
   94   2HB   LEU  11          3HB       LEU  11 -13.106  -6.595  -5.648
   95    HG   LEU  11           HG       LEU  11 -10.085  -6.685  -5.416
   96   1HD1  LEU  11          1HD1      LEU  11 -12.206  -8.602  -4.417
   97   2HD1  LEU  11          2HD1      LEU  11 -10.467  -8.972  -4.506
   98   3HD1  LEU  11          3HD1      LEU  11 -11.045  -7.665  -3.446
   99   1HD2  LEU  11          1HD2      LEU  11 -10.521  -7.229  -7.632
  100   2HD2  LEU  11          2HD2      LEU  11 -10.489  -8.815  -6.825
  101   3HD2  LEU  11          3HD2      LEU  11 -12.046  -8.058  -7.238
  102    H    MET  12           HN       MET  12 -12.616  -3.199  -4.700
  103    HA   MET  12           HA       MET  12 -14.977  -2.370  -6.205
  104   1HB   MET  12          2HB       MET  12 -14.484  -2.601  -3.188
  105   2HB   MET  12          3HB       MET  12 -15.865  -1.745  -3.846
  106   1HG   MET  12          2HG       MET  12 -16.580  -3.840  -5.040
  107   2HG   MET  12          3HG       MET  12 -15.213  -4.691  -4.348
  108   1HE   MET  12          1HE       MET  12 -16.090  -5.390  -0.788
  109   2HE   MET  12          2HE       MET  12 -15.458  -6.074  -2.305
  110   3HE   MET  12          3HE       MET  12 -14.760  -4.576  -1.645
  111    H    THR  13           HN       THR  13 -12.731  -1.257  -3.560
  112    HA   THR  13           HA       THR  13 -13.203   1.481  -4.060
  113    HB   THR  13           HB       THR  13 -10.792   0.143  -2.730
  114    HG1  THR  13           HG1      THR  13 -12.329  -0.490  -1.270
  115   1HG2  THR  13          1HG2      THR  13 -10.948   2.128  -1.222
  116   2HG2  THR  13          2HG2      THR  13 -10.671   2.639  -2.905
  117   3HG2  THR  13          3HG2      THR  13 -12.299   2.758  -2.195
  118    HA   PRO  14           HA       PRO  14 -10.737   2.041  -7.551
  119   1HB   PRO  14          2HB       PRO  14 -10.891   4.765  -7.716
  120   2HB   PRO  14          3HB       PRO  14 -12.130   3.696  -8.343
  121   1HG   PRO  14          2HG       PRO  14 -12.177   5.352  -5.895
  122   2HG   PRO  14          3HG       PRO  14 -13.520   4.626  -6.755
  123   1HD   PRO  14          2HD       PRO  14 -12.342   3.695  -4.310
  124   2HD   PRO  14          3HD       PRO  14 -13.607   2.906  -5.231
  125    HA   PRO  15           HA       PRO  15  -6.796   3.205  -6.457
  126   1HB   PRO  15          2HB       PRO  15  -5.764   4.558  -8.595
  127   2HB   PRO  15          3HB       PRO  15  -5.894   2.811  -8.538
  128   1HG   PRO  15          2HG       PRO  15  -7.551   4.745 -10.039
  129   2HG   PRO  15          3HG       PRO  15  -7.382   3.019 -10.288
  130   1HD   PRO  15          2HD       PRO  15  -9.586   4.365  -9.041
  131   2HD   PRO  15          3HD       PRO  15  -9.363   2.633  -9.186
  132    H    VAL  16           HN       VAL  16  -8.292   4.643  -4.934
  133    HA   VAL  16           HA       VAL  16  -8.217   7.383  -5.322
  134    HB   VAL  16           HB       VAL  16  -8.527   7.468  -2.848
  135   1HG1  VAL  16          1HG1      VAL  16 -10.698   6.270  -2.856
  136   2HG1  VAL  16          2HG1      VAL  16 -10.447   7.244  -4.325
  137   3HG1  VAL  16          3HG1      VAL  16 -10.234   5.477  -4.381
  138   1HG2  VAL  16          1HG2      VAL  16  -8.988   5.044  -1.894
  139   2HG2  VAL  16          2HG2      VAL  16  -7.788   4.575  -3.122
  140   3HG2  VAL  16          3HG2      VAL  16  -7.355   5.751  -1.859
  141    H    ILE  17           HN       ILE  17  -5.880   5.175  -3.660
  142    HA   ILE  17           HA       ILE  17  -4.135   7.013  -2.678
  143    HB   ILE  17           HB       ILE  17  -2.391   5.228  -3.127
  144   1HG1  ILE  17          2HG1      ILE  17  -4.778   3.649  -4.123
  145   2HG1  ILE  17          3HG1      ILE  17  -3.544   4.324  -5.168
  146   1HG2  ILE  17          1HG2      ILE  17  -3.210   3.831  -1.381
  147   2HG2  ILE  17          2HG2      ILE  17  -3.788   5.482  -1.053
  148   3HG2  ILE  17          3HG2      ILE  17  -4.899   4.269  -1.732
  149   1HD1  ILE  17          1HD1      ILE  17  -3.049   2.335  -2.905
  150   2HD1  ILE  17          2HD1      ILE  17  -3.046   1.959  -4.645
  151   3HD1  ILE  17          3HD1      ILE  17  -1.793   3.024  -3.962
  152    H    GLN  18           HN       GLN  18  -4.790   6.165  -6.050
  153    HA   GLN  18           HA       GLN  18  -2.608   7.952  -6.799
  154   1HB   GLN  18          2HB       GLN  18  -2.608   6.779  -8.996
  155   2HB   GLN  18          3HB       GLN  18  -2.263   5.690  -7.667
  156   1HG   GLN  18          2HG       GLN  18  -4.684   4.991  -7.642
  157   2HG   GLN  18          3HG       GLN  18  -4.984   6.040  -9.014
  158   1HE2  GLN  18          1HE2      GLN  18  -4.067   2.985  -7.981
  159   2HE2  GLN  18          2HE2      GLN  18  -3.504   2.310  -9.473
  160    H    ALA  19           HN       ALA  19  -6.063   7.224  -6.962
  161    HA   ALA  19           HA       ALA  19  -6.771   8.828  -9.121
  162   1HB   ALA  19          1HB       ALA  19  -9.015   8.817  -8.020
  163   2HB   ALA  19          2HB       ALA  19  -8.276   7.200  -8.102
  164   3HB   ALA  19          3HB       ALA  19  -8.268   8.105  -6.570
  165    H    ILE  20           HN       ILE  20  -6.505   9.580  -5.582
  166    HA   ILE  20           HA       ILE  20  -7.239  12.296  -5.986
  167    HB   ILE  20           HB       ILE  20  -7.239  12.452  -3.739
  168   1HG1  ILE  20          2HG1      ILE  20  -4.772  12.296  -3.547
  169   2HG1  ILE  20          3HG1      ILE  20  -5.623  11.546  -2.211
  170   1HG2  ILE  20          1HG2      ILE  20  -7.069   9.454  -3.685
  171   2HG2  ILE  20          2HG2      ILE  20  -8.176  10.548  -2.823
  172   3HG2  ILE  20          3HG2      ILE  20  -8.384  10.266  -4.568
  173   1HD1  ILE  20          1HD1      ILE  20  -4.783   9.487  -2.691
  174   2HD1  ILE  20          2HD1      ILE  20  -5.147   9.656  -4.425
  175   3HD1  ILE  20          3HD1      ILE  20  -3.643  10.337  -3.760
  176    H    HIS  21           HN       HIS  21  -4.256  10.419  -6.133
  177    HA   HIS  21           HA       HIS  21  -2.511  12.575  -5.658
  178   1HB   HIS  21          2HB       HIS  21  -1.690  10.388  -5.307
  179   2HB   HIS  21          3HB       HIS  21  -2.205   9.839  -6.889
  180    HD1  HIS  21           HD1      HIS  21  -0.149  12.980  -6.158
  181    HD2  HIS  21           HD2      HIS  21   0.233   9.241  -8.021
  182    HE1  HIS  21           HE1      HIS  21   2.128  12.984  -7.310
  183    HE2  HIS  21           HE2      HIS  21   2.329  10.642  -8.391
  184    H    ASP  22           HN       ASP  22  -3.959  11.106  -8.614
  185    HA   ASP  22           HA       ASP  22  -2.471  12.521 -10.438
  186   1HB   ASP  22          2HB       ASP  22  -4.436  10.634 -10.573
  187   2HB   ASP  22          3HB       ASP  22  -5.380  12.041 -11.020
  188    H    ALA  23           HN       ALA  23  -5.651  13.224  -8.830
  189    HA   ALA  23           HA       ALA  23  -6.084  15.656 -10.205
  190   1HB   ALA  23          1HB       ALA  23  -7.205  14.660  -7.554
  191   2HB   ALA  23          2HB       ALA  23  -7.899  15.932  -8.587
  192   3HB   ALA  23          3HB       ALA  23  -7.854  14.247  -9.159
  193    H    GLN  24           HN       GLN  24  -4.161  14.678  -7.415
  194    HA   GLN  24           HA       GLN  24  -4.048  17.129  -6.135
  195   1HB   GLN  24          2HB       GLN  24  -2.424  14.617  -6.165
  196   2HB   GLN  24          3HB       GLN  24  -1.619  16.041  -5.538
  197   1HG   GLN  24          2HG       GLN  24  -4.383  15.154  -4.595
  198   2HG   GLN  24          3HG       GLN  24  -2.901  14.635  -3.815
  199   1HE2  GLN  24          1HE2      GLN  24  -2.053  15.846  -2.289
  200   2HE2  GLN  24          2HE2      GLN  24  -2.462  17.487  -1.917
  201    H    ARG  25           HN       ARG  25  -2.260  15.773  -8.926
  202    HA   ARG  25           HA       ARG  25  -0.429  17.939  -8.958
  203   1HB   ARG  25          2HB       ARG  25  -1.034  15.953 -11.203
  204   2HB   ARG  25          3HB       ARG  25   0.430  16.895 -11.007
  205   1HG   ARG  25          2HG       ARG  25   1.243  15.552  -9.282
  206   2HG   ARG  25          3HG       ARG  25  -0.357  15.125  -8.708
  207   1HD   ARG  25          2HD       ARG  25   1.114  14.001 -11.127
  208   2HD   ARG  25          3HD       ARG  25   0.549  13.129  -9.716
  209    HE   ARG  25           HE       ARG  25  -1.819  13.862 -10.548
  210   1HH1  ARG  25          2HH2      ARG  25   0.910  13.179 -12.662
  211   2HH1  ARG  25          1HH2      ARG  25  -0.081  12.701 -14.000
  212   1HH2  ARG  25          2HH1      ARG  25  -3.128  13.231 -12.313
  213   2HH2  ARG  25          1HH1      ARG  25  -2.393  12.731 -13.799
  Start of MODEL    7
    1   1H    PHE   1           HN       PHE   1   1.884   0.000   0.829
    2    HA   PHE   1           HA       PHE   1   2.678   0.907  -1.259
    3   1HB   PHE   1          2HB       PHE   1   3.607  -1.236  -2.101
    4   2HB   PHE   1          3HB       PHE   1   3.504  -1.329  -0.354
    5    HD1  PHE   1           HD1      PHE   1   1.772  -2.717   0.715
    6    HD2  PHE   1           HD2      PHE   1   2.241  -2.635  -3.502
    7    HE1  PHE   1           HE1      PHE   1   0.412  -4.818   0.523
    8    HE2  PHE   1           HE2      PHE   1   0.881  -4.736  -3.694
    9    HZ   PHE   1           HZ       PHE   1  -0.017  -5.802  -1.680
   10    H    LEU   2           HN       LEU   2  -0.416   0.718  -1.299
   11    HA   LEU   2           HA       LEU   2  -0.798   1.192  -3.974
   12   1HB   LEU   2          2HB       LEU   2  -0.454  -1.576  -3.506
   13   2HB   LEU   2          3HB       LEU   2  -2.161  -1.330  -3.815
   14    HG   LEU   2           HG       LEU   2   0.065  -0.370  -5.634
   15   1HD1  LEU   2          1HD1      LEU   2  -0.607  -2.223  -7.121
   16   2HD1  LEU   2          2HD1      LEU   2   0.063  -2.791  -5.573
   17   3HD1  LEU   2          3HD1      LEU   2  -1.696  -2.827  -5.849
   18   1HD2  LEU   2          1HD2      LEU   2  -1.730   1.024  -6.093
   19   2HD2  LEU   2          2HD2      LEU   2  -1.948  -0.296  -7.267
   20   3HD2  LEU   2          3HD2      LEU   2  -2.935  -0.249  -5.786
   21    HA   PRO   3           HA       PRO   3  -4.868   0.645  -1.668
   22   1HB   PRO   3          2HB       PRO   3  -4.980  -0.718   0.699
   23   2HB   PRO   3          3HB       PRO   3  -5.326  -1.459  -0.851
   24   1HG   PRO   3          2HG       PRO   3  -2.918  -1.739   0.841
   25   2HG   PRO   3          3HG       PRO   3  -3.466  -2.768  -0.467
   26   1HD   PRO   3          2HD       PRO   3  -1.345  -0.841  -0.575
   27   2HD   PRO   3          3HD       PRO   3  -1.971  -1.787  -1.911
   28    H    LEU   4           HN       LEU   4  -2.262   0.833   0.687
   29    HA   LEU   4           HA       LEU   4  -3.694   2.726   2.258
   30   1HB   LEU   4          2HB       LEU   4  -1.838   0.999   2.885
   31   2HB   LEU   4          3HB       LEU   4  -0.736   2.277   2.411
   32    HG   LEU   4           HG       LEU   4  -1.092   2.275   4.816
   33   1HD1  LEU   4          1HD1      LEU   4  -1.321   4.568   5.112
   34   2HD1  LEU   4          2HD1      LEU   4  -0.831   4.430   3.406
   35   3HD1  LEU   4          3HD1      LEU   4  -2.537   4.720   3.821
   36   1HD2  LEU   4          1HD2      LEU   4  -3.108   2.323   5.896
   37   2HD2  LEU   4          2HD2      LEU   4  -3.944   3.130   4.548
   38   3HD2  LEU   4          3HD2      LEU   4  -3.556   1.396   4.444
   39    H    LEU   5           HN       LEU   5  -1.299   2.828  -0.390
   40    HA   LEU   5           HA       LEU   5  -0.524   5.485  -0.064
   41   1HB   LEU   5          2HB       LEU   5  -0.391   3.416  -2.171
   42   2HB   LEU   5          3HB       LEU   5  -0.272   5.074  -2.728
   43    HG   LEU   5           HG       LEU   5   1.930   4.102  -2.363
   44   1HD1  LEU   5          1HD1      LEU   5   1.647   6.079  -0.126
   45   2HD1  LEU   5          2HD1      LEU   5   2.900   5.946  -1.383
   46   3HD1  LEU   5          3HD1      LEU   5   1.287   6.575  -1.797
   47   1HD2  LEU   5          1HD2      LEU   5   1.295   3.894   0.585
   48   2HD2  LEU   5          2HD2      LEU   5   1.149   2.523  -0.542
   49   3HD2  LEU   5          3HD2      LEU   5   2.730   3.301  -0.287
   50    H    ILE   6           HN       ILE   6  -3.081   4.020  -2.188
   51    HA   ILE   6           HA       ILE   6  -3.988   6.499  -3.132
   52    HB   ILE   6           HB       ILE   6  -5.934   5.216  -3.904
   53   1HG1  ILE   6          2HG1      ILE   6  -4.712   2.971  -2.278
   54   2HG1  ILE   6          3HG1      ILE   6  -6.277   3.721  -2.037
   55   1HG2  ILE   6          1HG2      ILE   6  -4.008   3.286  -4.760
   56   2HG2  ILE   6          2HG2      ILE   6  -4.653   4.695  -5.635
   57   3HG2  ILE   6          3HG2      ILE   6  -3.206   4.867  -4.613
   58   1HD1  ILE   6          1HD1      ILE   6  -6.804   2.996  -4.486
   59   2HD1  ILE   6          2HD1      ILE   6  -5.382   1.937  -4.325
   60   3HD1  ILE   6          3HD1      ILE   6  -6.773   1.731  -3.234
   61    H    LEU   7           HN       LEU   7  -4.786   4.500  -0.271
   62    HA   LEU   7           HA       LEU   7  -7.113   5.870   0.444
   63   1HB   LEU   7          2HB       LEU   7  -6.339   3.646   1.264
   64   2HB   LEU   7          3HB       LEU   7  -5.134   4.462   2.240
   65    HG   LEU   7           HG       LEU   7  -8.079   5.067   2.525
   66   1HD1  LEU   7          1HD1      LEU   7  -8.189   3.460   4.357
   67   2HD1  LEU   7          2HD1      LEU   7  -7.789   2.652   2.822
   68   3HD1  LEU   7          3HD1      LEU   7  -6.515   2.950   4.029
   69   1HD2  LEU   7          1HD2      LEU   7  -7.043   5.455   4.960
   70   2HD2  LEU   7          2HD2      LEU   7  -5.585   5.766   3.987
   71   3HD2  LEU   7          3HD2      LEU   7  -7.063   6.717   3.705
   72    H    GLY   8           HN       GLY   8  -3.666   6.304   1.495
   73   1HA   GLY   8          1HA       GLY   8  -4.030   8.420   3.228
   74   2HA   GLY   8          2HA       GLY   8  -2.589   8.115   2.277
   75    H    SER   9           HN       SER   9  -3.779   8.389  -0.374
   76    HA   SER   9           HA       SER   9  -3.991  11.270  -0.354
   77   1HB   SER   9          2HB       SER   9  -2.333  10.085  -1.843
   78   2HB   SER   9          3HB       SER   9  -3.671   9.355  -2.707
   79    HG   SER   9           HG       SER   9  -2.697  12.004  -2.787
   80    H    LEU  10           HN       LEU  10  -6.217   9.362   0.469
   81    HA   LEU  10           HA       LEU  10  -8.148  10.054  -1.634
   82   1HB   LEU  10          2HB       LEU  10  -7.547   7.588  -0.473
   83   2HB   LEU  10          3HB       LEU  10  -9.038   8.085   0.303
   84    HG   LEU  10           HG       LEU  10  -9.530   6.713  -1.618
   85   1HD1  LEU  10          1HD1      LEU  10 -11.168   8.045  -2.663
   86   2HD1  LEU  10          2HD1      LEU  10 -10.972   8.723  -1.029
   87   3HD1  LEU  10          3HD1      LEU  10 -10.229   9.538  -2.425
   88   1HD2  LEU  10          1HD2      LEU  10  -7.775   8.659  -3.112
   89   2HD2  LEU  10          2HD2      LEU  10  -7.658   6.885  -3.017
   90   3HD2  LEU  10          3HD2      LEU  10  -8.978   7.642  -3.940
   91    H    LEU  11           HN       LEU  11  -8.145  12.267  -0.691
   92    HA   LEU  11           HA       LEU  11  -9.647  12.329   1.831
   93   1HB   LEU  11          2HB       LEU  11  -7.812  14.383   0.591
   94   2HB   LEU  11          3HB       LEU  11  -8.789  14.655   2.020
   95    HG   LEU  11           HG       LEU  11  -6.599  12.574   1.771
   96   1HD1  LEU  11          1HD1      LEU  11  -5.762  14.902   1.731
   97   2HD1  LEU  11          2HD1      LEU  11  -6.575  15.197   3.286
   98   3HD1  LEU  11          3HD1      LEU  11  -5.258  14.004   3.183
   99   1HD2  LEU  11          1HD2      LEU  11  -8.455  13.321   4.026
  100   2HD2  LEU  11          2HD2      LEU  11  -8.104  11.715   3.343
  101   3HD2  LEU  11          3HD2      LEU  11  -6.876  12.555   4.321
  102    H    MET  12           HN       MET  12  -9.226  14.174  -1.277
  103    HA   MET  12           HA       MET  12 -12.130  14.415  -1.292
  104   1HB   MET  12          2HB       MET  12  -9.989  16.544  -1.784
  105   2HB   MET  12          3HB       MET  12 -11.621  16.747  -2.390
  106   1HG   MET  12          2HG       MET  12 -12.518  16.504  -0.064
  107   2HG   MET  12          3HG       MET  12 -10.888  16.294   0.544
  108   1HE   MET  12          1HE       MET  12 -12.918  20.150  -0.794
  109   2HE   MET  12          2HE       MET  12 -12.904  18.740  -1.881
  110   3HE   MET  12          3HE       MET  12 -13.659  18.618  -0.273
  111    H    THR  13           HN       THR  13  -9.110  14.907  -3.262
  112    HA   THR  13           HA       THR  13 -10.331  13.360  -5.403
  113    HB   THR  13           HB       THR  13  -9.270  16.202  -5.824
  114    HG1  THR  13           HG1      THR  13 -11.305  16.557  -4.988
  115   1HG2  THR  13          1HG2      THR  13 -10.891  14.303  -7.602
  116   2HG2  THR  13          2HG2      THR  13 -10.428  15.970  -8.017
  117   3HG2  THR  13          3HG2      THR  13  -9.177  14.715  -7.847
  118    HA   PRO  14           HA       PRO  14  -6.253  11.974  -5.513
  119   1HB   PRO  14          2HB       PRO  14  -6.467  10.253  -7.625
  120   2HB   PRO  14          3HB       PRO  14  -6.935   9.827  -5.991
  121   1HG   PRO  14          2HG       PRO  14  -8.659  10.484  -8.300
  122   2HG   PRO  14          3HG       PRO  14  -9.083   9.659  -6.814
  123   1HD   PRO  14          2HD       PRO  14  -9.677  12.382  -7.495
  124   2HD   PRO  14          3HD       PRO  14  -9.997  11.590  -5.964
  125    HA   PRO  15           HA       PRO  15  -4.038  14.046  -8.488
  126   1HB   PRO  15          2HB       PRO  15  -1.900  12.448  -9.074
  127   2HB   PRO  15          3HB       PRO  15  -1.987  13.441  -7.634
  128   1HG   PRO  15          2HG       PRO  15  -2.319  10.515  -7.889
  129   2HG   PRO  15          3HG       PRO  15  -1.981  11.460  -6.453
  130   1HD   PRO  15          2HD       PRO  15  -4.502  10.313  -7.198
  131   2HD   PRO  15          3HD       PRO  15  -4.190  11.354  -5.824
  132    H    VAL  16           HN       VAL  16  -6.199  13.396  -9.715
  133    HA   VAL  16           HA       VAL  16  -5.981  11.576 -11.787
  134    HB   VAL  16           HB       VAL  16  -7.803  12.954 -12.814
  135   1HG1  VAL  16          1HG1      VAL  16  -8.225  11.133 -11.181
  136   2HG1  VAL  16          2HG1      VAL  16  -8.165  12.329  -9.864
  137   3HG1  VAL  16          3HG1      VAL  16  -9.444  12.428 -11.098
  138   1HG2  VAL  16          1HG2      VAL  16  -7.601  15.163 -12.295
  139   2HG2  VAL  16          2HG2      VAL  16  -8.669  14.689 -10.952
  140   3HG2  VAL  16          3HG2      VAL  16  -6.916  14.838 -10.684
  141    H    ILE  17           HN       ILE  17  -5.176  15.102 -11.657
  142    HA   ILE  17           HA       ILE  17  -4.569  15.520 -14.276
  143    HB   ILE  17           HB       ILE  17  -3.262  16.591 -11.778
  144   1HG1  ILE  17          2HG1      ILE  17  -5.247  18.007 -13.550
  145   2HG1  ILE  17          3HG1      ILE  17  -5.788  16.906 -12.298
  146   1HG2  ILE  17          1HG2      ILE  17  -2.969  17.492 -14.653
  147   2HG2  ILE  17          2HG2      ILE  17  -2.529  18.485 -13.243
  148   3HG2  ILE  17          3HG2      ILE  17  -1.690  16.944 -13.543
  149   1HD1  ILE  17          1HD1      ILE  17  -4.006  19.352 -11.889
  150   2HD1  ILE  17          2HD1      ILE  17  -5.711  19.191 -11.404
  151   3HD1  ILE  17          3HD1      ILE  17  -4.462  18.207 -10.605
  152    H    GLN  18           HN       GLN  18  -2.658  13.806 -11.777
  153    HA   GLN  18           HA       GLN  18  -0.554  13.432 -13.727
  154   1HB   GLN  18          2HB       GLN  18  -0.759  12.901 -10.741
  155   2HB   GLN  18          3HB       GLN  18   0.582  12.292 -11.692
  156   1HG   GLN  18          2HG       GLN  18  -0.236  15.233 -11.537
  157   2HG   GLN  18          3HG       GLN  18   1.064  14.514 -10.608
  158   1HE2  GLN  18          1HE2      GLN  18   0.156  15.988 -13.491
  159   2HE2  GLN  18          2HE2      GLN  18   1.594  15.745 -14.425
  160    H    ALA  19           HN       ALA  19  -3.098  11.693 -11.918
  161    HA   ALA  19           HA       ALA  19  -2.267   9.093 -12.385
  162   1HB   ALA  19          1HB       ALA  19  -5.075  10.259 -12.194
  163   2HB   ALA  19          2HB       ALA  19  -4.654   8.540 -12.003
  164   3HB   ALA  19          3HB       ALA  19  -4.059   9.738 -10.829
  165    H    ILE  20           HN       ILE  20  -4.340  11.299 -14.378
  166    HA   ILE  20           HA       ILE  20  -4.796   9.344 -16.367
  167    HB   ILE  20           HB       ILE  20  -5.725  11.208 -17.641
  168   1HG1  ILE  20          2HG1      ILE  20  -5.805  13.448 -16.235
  169   2HG1  ILE  20          3HG1      ILE  20  -4.296  12.847 -15.576
  170   1HG2  ILE  20          1HG2      ILE  20  -6.905  10.021 -15.686
  171   2HG2  ILE  20          2HG2      ILE  20  -6.629  11.531 -14.785
  172   3HG2  ILE  20          3HG2      ILE  20  -7.591  11.552 -16.282
  173   1HD1  ILE  20          1HD1      ILE  20  -4.058  12.392 -18.350
  174   2HD1  ILE  20          2HD1      ILE  20  -4.835  13.988 -18.217
  175   3HD1  ILE  20          3HD1      ILE  20  -3.273  13.688 -17.416
  176    H    HIS  21           HN       HIS  21  -2.299  11.824 -15.780
  177    HA   HIS  21           HA       HIS  21  -1.263  11.846 -18.372
  178   1HB   HIS  21          2HB       HIS  21  -0.663  13.645 -17.024
  179   2HB   HIS  21          3HB       HIS  21  -0.251  12.631 -15.657
  180    HD1  HIS  21           HD1      HIS  21   1.138  11.953 -19.119
  181    HD2  HIS  21           HD2      HIS  21   2.375  13.577 -15.454
  182    HE1  HIS  21           HE1      HIS  21   3.668  12.244 -19.283
  183    HE2  HIS  21           HE2      HIS  21   4.363  13.296 -17.023
  184    H    ASP  22           HN       ASP  22  -0.460   9.895 -15.436
  185    HA   ASP  22           HA       ASP  22   1.732   8.624 -16.383
  186   1HB   ASP  22          2HB       ASP  22   0.054   8.399 -14.176
  187   2HB   ASP  22          3HB       ASP  22  -0.187   6.852 -14.961
  188    H    ALA  23           HN       ALA  23  -1.775   7.938 -16.908
  189    HA   ALA  23           HA       ALA  23  -1.347   5.497 -18.289
  190   1HB   ALA  23          1HB       ALA  23  -3.736   5.652 -18.754
  191   2HB   ALA  23          2HB       ALA  23  -3.434   6.135 -17.068
  192   3HB   ALA  23          3HB       ALA  23  -3.744   7.375 -18.307
  193    H    GLN  24           HN       GLN  24  -1.809   8.947 -19.227
  194    HA   GLN  24           HA       GLN  24  -1.868   8.355 -21.977
  195   1HB   GLN  24          2HB       GLN  24  -1.395  10.932 -20.425
  196   2HB   GLN  24          3HB       GLN  24  -1.467  10.882 -22.175
  197   1HG   GLN  24          2HG       GLN  24  -3.759   9.844 -22.027
  198   2HG   GLN  24          3HG       GLN  24  -3.686   9.973 -20.281
  199   1HE2  GLN  24          1HE2      GLN  24  -2.264  12.312 -22.470
  200   2HE2  GLN  24          2HE2      GLN  24  -3.337  13.633 -22.147
  201    H    ARG  25           HN       ARG  25   0.668   9.588 -19.701
  202    HA   ARG  25           HA       ARG  25   2.818   9.761 -19.870
  203   1HB   ARG  25          2HB       ARG  25   2.151   7.147 -21.044
  204   2HB   ARG  25          3HB       ARG  25   3.660   7.757 -21.693
  205   1HG   ARG  25          2HG       ARG  25   4.609   8.014 -19.458
  206   2HG   ARG  25          3HG       ARG  25   3.062   7.687 -18.702
  207   1HD   ARG  25          2HD       ARG  25   4.590   5.682 -20.434
  208   2HD   ARG  25          3HD       ARG  25   4.623   5.701 -18.682
  209    HE   ARG  25           HE       ARG  25   2.056   5.419 -18.853
  210   1HH1  ARG  25          2HH2      ARG  25   4.281   4.219 -21.301
  211   2HH1  ARG  25          1HH2      ARG  25   3.222   2.953 -21.826
  212   1HH2  ARG  25          2HH1      ARG  25   0.658   3.749 -19.546
  213   2HH2  ARG  25          1HH1      ARG  25   1.148   2.684 -20.821
  Start of MODEL    8
    1   1H    PHE   1           HN       PHE   1   1.884   0.000   0.829
    2    HA   PHE   1           HA       PHE   1   2.678   0.907  -1.259
    3   1HB   PHE   1          2HB       PHE   1   3.097  -1.597  -0.239
    4   2HB   PHE   1          3HB       PHE   1   2.328  -2.074  -1.740
    5    HD1  PHE   1           HD1      PHE   1   4.867   0.518  -0.821
    6    HD2  PHE   1           HD2      PHE   1   3.860  -2.777  -3.298
    7    HE1  PHE   1           HE1      PHE   1   7.061   0.747  -2.018
    8    HE2  PHE   1           HE2      PHE   1   6.054  -2.548  -4.496
    9    HZ   PHE   1           HZ       PHE   1   7.629  -0.788  -3.841
   10    H    LEU   2           HN       LEU   2   2.720  -0.163  -3.750
   11    HA   LEU   2           HA       LEU   2  -0.060   0.171  -4.615
   12   1HB   LEU   2          2HB       LEU   2   2.417   1.319  -5.447
   13   2HB   LEU   2          3HB       LEU   2   1.790   0.355  -6.770
   14    HG   LEU   2           HG       LEU   2  -0.437   1.609  -6.386
   15   1HD1  LEU   2          1HD1      LEU   2   0.070   2.582  -4.222
   16   2HD1  LEU   2          2HD1      LEU   2   1.454   3.463  -4.912
   17   3HD1  LEU   2          3HD1      LEU   2  -0.202   3.866  -5.425
   18   1HD2  LEU   2          1HD2      LEU   2   0.782   1.963  -8.386
   19   2HD2  LEU   2          2HD2      LEU   2   0.405   3.575  -7.733
   20   3HD2  LEU   2          3HD2      LEU   2   2.041   2.898  -7.544
   21    HA   PRO   3           HA       PRO   3   1.459  -3.573  -6.993
   22   1HB   PRO   3          2HB       PRO   3   4.081  -4.340  -6.963
   23   2HB   PRO   3          3HB       PRO   3   3.403  -3.293  -8.194
   24   1HG   PRO   3          2HG       PRO   3   5.153  -2.586  -5.919
   25   2HG   PRO   3          3HG       PRO   3   4.818  -1.667  -7.372
   26   1HD   PRO   3          2HD       PRO   3   3.735  -1.199  -4.758
   27   2HD   PRO   3          3HD       PRO   3   3.312  -0.355  -6.234
   28    H    LEU   4           HN       LEU   4   3.522  -3.432  -4.136
   29    HA   LEU   4           HA       LEU   4   3.180  -6.160  -3.549
   30   1HB   LEU   4          2HB       LEU   4   4.244  -3.754  -2.142
   31   2HB   LEU   4          3HB       LEU   4   3.890  -5.183  -1.191
   32    HG   LEU   4           HG       LEU   4   5.382  -6.502  -2.720
   33   1HD1  LEU   4          1HD1      LEU   4   5.918  -3.761  -3.873
   34   2HD1  LEU   4          2HD1      LEU   4   7.046  -5.127  -4.049
   35   3HD1  LEU   4          3HD1      LEU   4   5.400  -5.240  -4.718
   36   1HD2  LEU   4          1HD2      LEU   4   6.128  -5.672  -0.526
   37   2HD2  LEU   4          2HD2      LEU   4   7.454  -5.734  -1.711
   38   3HD2  LEU   4          3HD2      LEU   4   6.703  -4.174  -1.298
   39    H    LEU   5           HN       LEU   5   1.052  -3.459  -3.353
   40    HA   LEU   5           HA       LEU   5  -0.533  -4.760  -1.271
   41   1HB   LEU   5          2HB       LEU   5   0.164  -2.187  -1.503
   42   2HB   LEU   5          3HB       LEU   5  -1.307  -2.147  -2.453
   43    HG   LEU   5           HG       LEU   5  -1.790  -1.507  -0.183
   44   1HD1  LEU   5          1HD1      LEU   5  -3.649  -2.893   0.258
   45   2HD1  LEU   5          2HD1      LEU   5  -3.412  -2.944  -1.506
   46   3HD1  LEU   5          3HD1      LEU   5  -2.876  -4.308  -0.496
   47   1HD2  LEU   5          1HD2      LEU   5  -1.075  -4.186   0.933
   48   2HD2  LEU   5          2HD2      LEU   5   0.220  -2.995   0.664
   49   3HD2  LEU   5          3HD2      LEU   5  -1.152  -2.595   1.726
   50    H    ILE   6           HN       ILE   6  -0.667  -3.548  -4.672
   51    HA   ILE   6           HA       ILE   6  -3.294  -4.316  -5.166
   52    HB   ILE   6           HB       ILE   6  -2.607  -4.245  -7.541
   53   1HG1  ILE   6          2HG1      ILE   6   0.170  -3.768  -6.417
   54   2HG1  ILE   6          3HG1      ILE   6  -0.352  -5.191  -7.297
   55   1HG2  ILE   6          1HG2      ILE   6  -3.117  -2.106  -7.235
   56   2HG2  ILE   6          2HG2      ILE   6  -2.472  -2.129  -5.576
   57   3HG2  ILE   6          3HG2      ILE   6  -1.389  -1.790  -6.947
   58   1HD1  ILE   6          1HD1      ILE   6  -0.112  -2.342  -8.339
   59   2HD1  ILE   6          2HD1      ILE   6   0.729  -3.800  -8.919
   60   3HD1  ILE   6          3HD1      ILE   6  -1.014  -3.599  -9.220
   61    H    LEU   7           HN       LEU   7  -0.219  -6.138  -5.151
   62    HA   LEU   7           HA       LEU   7  -1.127  -8.409  -6.475
   63   1HB   LEU   7          2HB       LEU   7   0.993  -7.992  -4.371
   64   2HB   LEU   7          3HB       LEU   7   0.725  -9.529  -5.168
   65    HG   LEU   7           HG       LEU   7   1.458  -6.947  -6.577
   66   1HD1  LEU   7          1HD1      LEU   7   3.253  -7.834  -5.103
   67   2HD1  LEU   7          2HD1      LEU   7   3.210  -9.356  -6.024
   68   3HD1  LEU   7          3HD1      LEU   7   3.677  -7.840  -6.831
   69   1HD2  LEU   7          1HD2      LEU   7   0.334  -8.164  -8.192
   70   2HD2  LEU   7          2HD2      LEU   7   2.019  -8.681  -8.433
   71   3HD2  LEU   7          3HD2      LEU   7   0.884  -9.731  -7.551
   72    H    GLY   8           HN       GLY   8  -1.305  -7.416  -3.013
   73   1HA   GLY   8          1HA       GLY   8  -2.325  -9.802  -1.982
   74   2HA   GLY   8          2HA       GLY   8  -2.545  -8.198  -1.311
   75    H    SER   9           HN       SER   9  -4.031  -6.843  -3.235
   76    HA   SER   9           HA       SER   9  -6.544  -8.146  -2.885
   77   1HB   SER   9          2HB       SER   9  -6.121  -5.650  -2.581
   78   2HB   SER   9          3HB       SER   9  -5.943  -5.524  -4.319
   79    HG   SER   9           HG       SER   9  -8.081  -5.788  -4.616
   80    H    LEU  10           HN       LEU  10  -4.070  -8.409  -5.135
   81    HA   LEU  10           HA       LEU  10  -5.359  -8.256  -7.588
   82   1HB   LEU  10          2HB       LEU  10  -2.840  -8.687  -6.757
   83   2HB   LEU  10          3HB       LEU  10  -3.278 -10.330  -7.182
   84    HG   LEU  10           HG       LEU  10  -2.149  -9.195  -9.023
   85   1HD1  LEU  10          1HD1      LEU  10  -4.050 -10.902  -9.344
   86   2HD1  LEU  10          2HD1      LEU  10  -5.021  -9.509  -9.877
   87   3HD1  LEU  10          3HD1      LEU  10  -3.530  -9.940 -10.748
   88   1HD2  LEU  10          1HD2      LEU  10  -3.186  -6.904  -8.288
   89   2HD2  LEU  10          2HD2      LEU  10  -2.789  -7.211  -9.995
   90   3HD2  LEU  10          3HD2      LEU  10  -4.473  -7.348  -9.434
   91    H    LEU  11           HN       LEU  11  -5.301 -10.797  -5.074
   92    HA   LEU  11           HA       LEU  11  -6.796 -12.572  -6.825
   93   1HB   LEU  11          2HB       LEU  11  -5.365 -12.841  -4.211
   94   2HB   LEU  11          3HB       LEU  11  -6.619 -13.993  -4.624
   95    HG   LEU  11           HG       LEU  11  -4.508 -14.925  -5.239
   96   1HD1  LEU  11          1HD1      LEU  11  -4.981 -15.632  -7.385
   97   2HD1  LEU  11          2HD1      LEU  11  -6.565 -15.031  -6.838
   98   3HD1  LEU  11          3HD1      LEU  11  -5.554 -14.029  -7.907
   99   1HD2  LEU  11          1HD2      LEU  11  -3.928 -12.628  -7.103
  100   2HD2  LEU  11          2HD2      LEU  11  -3.394 -12.619  -5.405
  101   3HD2  LEU  11          3HD2      LEU  11  -2.833 -13.899  -6.507
  102    H    MET  12           HN       MET  12  -7.713  -9.864  -5.550
  103    HA   MET  12           HA       MET  12 -10.198 -11.001  -4.551
  104   1HB   MET  12          2HB       MET  12  -8.561  -8.689  -3.379
  105   2HB   MET  12          3HB       MET  12 -10.235  -8.968  -2.941
  106   1HG   MET  12          2HG       MET  12  -9.647 -11.266  -2.141
  107   2HG   MET  12          3HG       MET  12  -7.974 -10.998  -2.590
  108   1HE   MET  12          1HE       MET  12 -10.460 -10.788   0.319
  109   2HE   MET  12          2HE       MET  12 -10.286  -9.108   0.881
  110   3HE   MET  12          3HE       MET  12 -10.952  -9.441  -0.736
  111    H    THR  13           HN       THR  13  -8.619  -7.840  -5.443
  112    HA   THR  13           HA       THR  13 -10.626  -7.416  -7.477
  113    HB   THR  13           HB       THR  13 -10.375  -5.345  -5.258
  114    HG1  THR  13           HG1      THR  13 -11.302  -7.026  -4.109
  115   1HG2  THR  13          1HG2      THR  13 -12.632  -4.724  -6.022
  116   2HG2  THR  13          2HG2      THR  13 -11.548  -4.752  -7.433
  117   3HG2  THR  13          3HG2      THR  13 -12.666  -6.107  -7.143
  118    HA   PRO  14           HA       PRO  14  -7.001  -5.660  -9.068
  119   1HB   PRO  14          2HB       PRO  14  -7.909  -5.233 -11.610
  120   2HB   PRO  14          3HB       PRO  14  -7.251  -6.765 -11.072
  121   1HG   PRO  14          2HG       PRO  14 -10.072  -6.030 -11.560
  122   2HG   PRO  14          3HG       PRO  14  -9.359  -7.626 -11.441
  123   1HD   PRO  14          2HD       PRO  14 -10.911  -6.287  -9.435
  124   2HD   PRO  14          3HD       PRO  14 -10.100  -7.832  -9.275
  125    HA   PRO  15           HA       PRO  15  -7.468  -1.416  -9.352
  126   1HB   PRO  15          2HB       PRO  15  -6.263  -0.538 -11.642
  127   2HB   PRO  15          3HB       PRO  15  -5.372  -0.973 -10.198
  128   1HG   PRO  15          2HG       PRO  15  -5.658  -2.482 -12.724
  129   2HG   PRO  15          3HG       PRO  15  -4.462  -2.677 -11.458
  130   1HD   PRO  15          2HD       PRO  15  -6.743  -4.350 -11.937
  131   2HD   PRO  15          3HD       PRO  15  -5.613  -4.475 -10.604
  132    H    VAL  16           HN       VAL  16  -9.841  -2.381  -9.741
  133    HA   VAL  16           HA       VAL  16 -10.970  -1.703 -12.220
  134    HB   VAL  16           HB       VAL  16 -11.926  -3.315 -10.668
  135   1HG1  VAL  16          1HG1      VAL  16 -12.888  -2.758  -8.574
  136   2HG1  VAL  16          2HG1      VAL  16 -11.292  -1.971  -8.595
  137   3HG1  VAL  16          3HG1      VAL  16 -12.762  -1.011  -8.890
  138   1HG2  VAL  16          1HG2      VAL  16 -13.358  -2.111 -12.331
  139   2HG2  VAL  16          2HG2      VAL  16 -14.245  -2.702 -10.905
  140   3HG2  VAL  16          3HG2      VAL  16 -13.825  -0.977 -11.041
  141    H    ILE  17           HN       ILE  17 -10.803   0.023  -9.039
  142    HA   ILE  17           HA       ILE  17 -12.279   2.231  -9.729
  143    HB   ILE  17           HB       ILE  17 -10.994   3.388  -7.975
  144   1HG1  ILE  17          2HG1      ILE  17  -9.298   0.874  -7.941
  145   2HG1  ILE  17          3HG1      ILE  17  -8.773   2.458  -8.475
  146   1HG2  ILE  17          1HG2      ILE  17 -11.502   0.662  -6.873
  147   2HG2  ILE  17          2HG2      ILE  17 -12.023   2.258  -6.284
  148   3HG2  ILE  17          3HG2      ILE  17 -12.845   1.511  -7.674
  149   1HD1  ILE  17          1HD1      ILE  17  -8.018   2.393  -6.243
  150   2HD1  ILE  17          2HD1      ILE  17  -9.560   3.270  -6.097
  151   3HD1  ILE  17          3HD1      ILE  17  -9.474   1.543  -5.674
  152    H    GLN  18           HN       GLN  18  -9.042   1.244 -10.755
  153    HA   GLN  18           HA       GLN  18  -8.526   3.891 -11.777
  154   1HB   GLN  18          2HB       GLN  18  -6.818   1.363 -11.832
  155   2HB   GLN  18          3HB       GLN  18  -6.289   2.945 -12.369
  156   1HG   GLN  18          2HG       GLN  18  -6.607   3.869 -10.097
  157   2HG   GLN  18          3HG       GLN  18  -7.270   2.346  -9.538
  158   1HE2  GLN  18          1HE2      GLN  18  -5.941   1.110  -8.474
  159   2HE2  GLN  18          2HE2      GLN  18  -4.220   1.014  -8.646
  160    H    ALA  19           HN       ALA  19  -9.217   0.542 -12.875
  161    HA   ALA  19           HA       ALA  19  -8.688   0.885 -15.574
  162   1HB   ALA  19          1HB       ALA  19 -10.155  -1.075 -15.854
  163   2HB   ALA  19          2HB       ALA  19  -9.091  -1.280 -14.442
  164   3HB   ALA  19          3HB       ALA  19 -10.799  -0.837 -14.212
  165    H    ILE  20           HN       ILE  20 -11.773   1.350 -13.715
  166    HA   ILE  20           HA       ILE  20 -13.247   2.122 -15.975
  167    HB   ILE  20           HB       ILE  20 -14.893   2.904 -14.319
  168   1HG1  ILE  20          2HG1      ILE  20 -14.177   2.192 -11.861
  169   2HG1  ILE  20          3HG1      ILE  20 -12.572   2.568 -12.456
  170   1HG2  ILE  20          1HG2      ILE  20 -14.581   0.484 -15.044
  171   2HG2  ILE  20          2HG2      ILE  20 -13.782   0.226 -13.475
  172   3HG2  ILE  20          3HG2      ILE  20 -15.478   0.764 -13.532
  173   1HD1  ILE  20          1HD1      ILE  20 -13.001   4.764 -12.124
  174   2HD1  ILE  20          2HD1      ILE  20 -14.266   4.678 -13.372
  175   3HD1  ILE  20          3HD1      ILE  20 -14.680   4.391 -11.665
  176    H    HIS  21           HN       HIS  21 -11.123   3.856 -13.701
  177    HA   HIS  21           HA       HIS  21 -12.044   6.425 -14.349
  178   1HB   HIS  21          2HB       HIS  21 -10.881   6.154 -12.318
  179   2HB   HIS  21          3HB       HIS  21  -9.535   5.334 -13.084
  180    HD1  HIS  21           HD1      HIS  21 -11.071   8.687 -14.116
  181    HD2  HIS  21           HD2      HIS  21  -7.488   7.104 -12.616
  182    HE1  HIS  21           HE1      HIS  21  -9.393  10.609 -14.098
  183    HE2  HIS  21           HE2      HIS  21  -7.227   9.589 -13.116
  184    H    ASP  22           HN       ASP  22  -9.330   4.377 -15.587
  185    HA   ASP  22           HA       ASP  22  -8.246   6.274 -17.241
  186   1HB   ASP  22          2HB       ASP  22  -7.641   3.708 -16.601
  187   2HB   ASP  22          3HB       ASP  22  -8.355   3.414 -18.174
  188    H    ALA  23           HN       ALA  23 -10.750   3.708 -17.847
  189    HA   ALA  23           HA       ALA  23 -11.110   4.137 -20.549
  190   1HB   ALA  23          1HB       ALA  23 -13.148   3.312 -18.441
  191   2HB   ALA  23          2HB       ALA  23 -13.278   3.024 -20.193
  192   3HB   ALA  23          3HB       ALA  23 -11.997   2.224 -19.252
  193    H    GLN  24           HN       GLN  24 -12.418   5.871 -17.694
  194    HA   GLN  24           HA       GLN  24 -14.207   7.401 -19.260
  195   1HB   GLN  24          2HB       GLN  24 -13.250   7.459 -16.394
  196   2HB   GLN  24          3HB       GLN  24 -14.140   8.832 -17.020
  197   1HG   GLN  24          2HG       GLN  24 -15.209   6.018 -17.418
  198   2HG   GLN  24          3HG       GLN  24 -15.459   6.845 -15.893
  199   1HE2  GLN  24          1HE2      GLN  24 -17.182   8.051 -15.696
  200   2HE2  GLN  24          2HE2      GLN  24 -18.133   8.739 -16.970
  201    H    ARG  25           HN       ARG  25 -11.017   8.035 -17.649
  202    HA   ARG  25           HA       ARG  25 -10.845  10.659 -18.484
  203   1HB   ARG  25          2HB       ARG  25  -9.241  10.253 -16.870
  204   2HB   ARG  25          3HB       ARG  25  -9.007   8.591 -17.374
  205   1HG   ARG  25          2HG       ARG  25  -8.068  10.321 -19.497
  206   2HG   ARG  25          3HG       ARG  25  -7.373  10.879 -17.988
  207   1HD   ARG  25          2HD       ARG  25  -5.876   9.201 -18.933
  208   2HD   ARG  25          3HD       ARG  25  -6.616   8.517 -17.499
  209    HE   ARG  25           HE       ARG  25  -8.344   7.565 -19.276
  210   1HH1  ARG  25          2HH2      ARG  25  -4.867   7.908 -19.690
  211   2HH1  ARG  25          1HH2      ARG  25  -4.741   6.588 -20.805
  212   1HH2  ARG  25          2HH1      ARG  25  -8.178   5.823 -20.746
  213   2HH2  ARG  25          1HH1      ARG  25  -6.637   5.394 -21.409
  Start of MODEL    9
    1   1H    PHE   1           HN       PHE   1   1.884   0.000   0.829
    2    HA   PHE   1           HA       PHE   1   2.678   0.907  -1.259
    3   1HB   PHE   1          2HB       PHE   1   3.034  -1.638  -0.243
    4   2HB   PHE   1          3HB       PHE   1   2.359  -2.053  -1.806
    5    HD1  PHE   1           HD1      PHE   1   3.733  -2.137  -3.687
    6    HD2  PHE   1           HD2      PHE   1   5.086  -0.066  -0.238
    7    HE1  PHE   1           HE1      PHE   1   5.996  -1.864  -4.738
    8    HE2  PHE   1           HE2      PHE   1   7.349   0.206  -1.289
    9    HZ   PHE   1           HZ       PHE   1   7.777  -0.697  -3.527
   10    H    LEU   2           HN       LEU   2   2.725   0.066  -3.753
   11    HA   LEU   2           HA       LEU   2  -0.082   0.183  -4.598
   12   1HB   LEU   2          2HB       LEU   2   1.117   2.119  -5.270
   13   2HB   LEU   2          3HB       LEU   2   2.468   1.172  -5.861
   14    HG   LEU   2           HG       LEU   2   0.944   0.220  -7.624
   15   1HD1  LEU   2          1HD1      LEU   2  -1.206   0.568  -6.604
   16   2HD1  LEU   2          2HD1      LEU   2  -0.954   2.330  -6.566
   17   3HD1  LEU   2          3HD1      LEU   2  -1.134   1.490  -8.125
   18   1HD2  LEU   2          1HD2      LEU   2   0.977   2.263  -9.032
   19   2HD2  LEU   2          2HD2      LEU   2   1.403   3.214  -7.590
   20   3HD2  LEU   2          3HD2      LEU   2   2.515   1.959  -8.188
   21    HA   PRO   3           HA       PRO   3   1.808  -3.114  -7.327
   22   1HB   PRO   3          2HB       PRO   3   4.507  -3.512  -7.474
   23   2HB   PRO   3          3HB       PRO   3   3.632  -2.465  -8.573
   24   1HG   PRO   3          2HG       PRO   3   5.388  -1.727  -6.312
   25   2HG   PRO   3          3HG       PRO   3   4.857  -0.738  -7.658
   26   1HD   PRO   3          2HD       PRO   3   3.860  -0.656  -4.970
   27   2HD   PRO   3          3HD       PRO   3   3.251   0.249  -6.342
   28    H    LEU   4           HN       LEU   4   4.049  -2.976  -4.601
   29    HA   LEU   4           HA       LEU   4   4.158  -5.726  -4.236
   30   1HB   LEU   4          2HB       LEU   4   5.418  -3.582  -3.201
   31   2HB   LEU   4          3HB       LEU   4   4.353  -3.964  -1.862
   32    HG   LEU   4           HG       LEU   4   6.474  -5.026  -1.505
   33   1HD1  LEU   4          1HD1      LEU   4   4.351  -6.242  -0.902
   34   2HD1  LEU   4          2HD1      LEU   4   4.577  -7.214  -2.377
   35   3HD1  LEU   4          3HD1      LEU   4   5.798  -7.263  -1.083
   36   1HD2  LEU   4          1HD2      LEU   4   7.601  -6.433  -3.006
   37   2HD2  LEU   4          2HD2      LEU   4   6.172  -6.615  -4.052
   38   3HD2  LEU   4          3HD2      LEU   4   7.044  -5.064  -3.996
   39    H    LEU   5           HN       LEU   5   1.714  -3.312  -3.354
   40    HA   LEU   5           HA       LEU   5   0.412  -5.065  -1.495
   41   1HB   LEU   5          2HB       LEU   5   0.502  -2.380  -1.822
   42   2HB   LEU   5          3HB       LEU   5  -1.017  -2.735  -2.620
   43    HG   LEU   5           HG       LEU   5  -1.381  -2.137  -0.296
   44   1HD1  LEU   5          1HD1      LEU   5  -2.873  -3.859   0.302
   45   2HD1  LEU   5          2HD1      LEU   5  -2.790  -3.896  -1.476
   46   3HD1  LEU   5          3HD1      LEU   5  -1.900  -5.104  -0.519
   47   1HD2  LEU   5          1HD2      LEU   5  -0.360  -3.065   1.533
   48   2HD2  LEU   5          2HD2      LEU   5  -0.019  -4.605   0.708
   49   3HD2  LEU   5          3HD2      LEU   5   0.960  -3.164   0.342
   50    H    ILE   6           HN       ILE   6  -0.359  -3.734  -4.788
   51    HA   ILE   6           HA       ILE   6  -2.647  -5.289  -5.131
   52    HB   ILE   6           HB       ILE   6  -2.162  -4.810  -7.596
   53   1HG1  ILE   6          2HG1      ILE   6  -0.418  -2.625  -7.227
   54   2HG1  ILE   6          3HG1      ILE   6   0.349  -3.978  -6.421
   55   1HG2  ILE   6          1HG2      ILE   6  -2.355  -2.467  -5.684
   56   2HG2  ILE   6          2HG2      ILE   6  -2.902  -2.520  -7.377
   57   3HG2  ILE   6          3HG2      ILE   6  -3.706  -3.528  -6.150
   58   1HD1  ILE   6          1HD1      ILE   6  -0.709  -5.024  -8.854
   59   2HD1  ILE   6          2HD1      ILE   6   0.078  -3.481  -9.264
   60   3HD1  ILE   6          3HD1      ILE   6   1.002  -4.759  -8.440
   61    H    LEU   7           HN       LEU   7   0.828  -5.915  -5.755
   62    HA   LEU   7           HA       LEU   7   0.404  -8.283  -7.217
   63   1HB   LEU   7          2HB       LEU   7   2.446  -6.942  -7.312
   64   2HB   LEU   7          3HB       LEU   7   2.796  -7.326  -5.639
   65    HG   LEU   7           HG       LEU   7   2.917  -9.758  -6.300
   66   1HD1  LEU   7          1HD1      LEU   7   1.701  -9.900  -8.301
   67   2HD1  LEU   7          2HD1      LEU   7   2.595  -8.554  -9.048
   68   3HD1  LEU   7          3HD1      LEU   7   3.400 -10.119  -8.784
   69   1HD2  LEU   7          1HD2      LEU   7   4.930  -8.475  -5.918
   70   2HD2  LEU   7          2HD2      LEU   7   5.167  -9.563  -7.307
   71   3HD2  LEU   7          3HD2      LEU   7   4.874  -7.828  -7.576
   72    H    GLY   8           HN       GLY   8   1.081  -7.607  -3.726
   73   1HA   GLY   8          1HA       GLY   8   1.235 -10.218  -2.821
   74   2HA   GLY   8          2HA       GLY   8   0.689  -8.839  -1.888
   75    H    SER   9           HN       SER   9  -1.646  -8.131  -3.461
   76    HA   SER   9           HA       SER   9  -3.336 -10.302  -2.584
   77   1HB   SER   9          2HB       SER   9  -3.781  -7.915  -1.886
   78   2HB   SER   9          3HB       SER   9  -4.099  -7.515  -3.562
   79    HG   SER   9           HG       SER   9  -6.028  -8.030  -2.220
   80    H    LEU  10           HN       LEU  10  -1.624 -10.389  -5.085
   81    HA   LEU  10           HA       LEU  10  -3.783 -10.565  -7.068
   82   1HB   LEU  10          2HB       LEU  10  -1.392  -9.176  -7.179
   83   2HB   LEU  10          3HB       LEU  10  -1.044 -10.642  -8.075
   84    HG   LEU  10           HG       LEU  10  -1.788  -8.848  -9.548
   85   1HD1  LEU  10          1HD1      LEU  10  -3.469 -10.058 -10.799
   86   2HD1  LEU  10          2HD1      LEU  10  -2.278 -11.198 -10.128
   87   3HD1  LEU  10          3HD1      LEU  10  -3.879 -11.034  -9.368
   88   1HD2  LEU  10          1HD2      LEU  10  -3.547  -8.190  -7.505
   89   2HD2  LEU  10          2HD2      LEU  10  -3.488  -7.472  -9.133
   90   3HD2  LEU  10          3HD2      LEU  10  -4.602  -8.818  -8.794
   91    H    LEU  11           HN       LEU  11  -4.569 -12.621  -6.977
   92    HA   LEU  11           HA       LEU  11  -2.795 -14.730  -7.711
   93   1HB   LEU  11          2HB       LEU  11  -2.312 -14.608  -5.323
   94   2HB   LEU  11          3HB       LEU  11  -4.017 -14.762  -4.948
   95    HG   LEU  11           HG       LEU  11  -3.965 -17.024  -6.095
   96   1HD1  LEU  11          1HD1      LEU  11  -2.072 -17.013  -7.452
   97   2HD1  LEU  11          2HD1      LEU  11  -1.027 -16.368  -6.164
   98   3HD1  LEU  11          3HD1      LEU  11  -1.600 -18.051  -6.086
   99   1HD2  LEU  11          1HD2      LEU  11  -3.126 -18.168  -4.154
  100   2HD2  LEU  11          2HD2      LEU  11  -2.172 -16.746  -3.670
  101   3HD2  LEU  11          3HD2      LEU  11  -3.950 -16.679  -3.632
  102    H    MET  12           HN       MET  12  -5.952 -14.331  -5.947
  103    HA   MET  12           HA       MET  12  -7.126 -15.880  -8.121
  104   1HB   MET  12          2HB       MET  12  -7.929 -15.448  -5.194
  105   2HB   MET  12          3HB       MET  12  -8.986 -16.243  -6.345
  106   1HG   MET  12          2HG       MET  12  -7.234 -17.972  -6.776
  107   2HG   MET  12          3HG       MET  12  -6.154 -17.170  -5.653
  108   1HE   MET  12          1HE       MET  12  -9.928 -18.293  -5.853
  109   2HE   MET  12          2HE       MET  12  -8.900 -19.718  -6.137
  110   3HE   MET  12          3HE       MET  12  -9.898 -19.620  -4.666
  111    H    THR  13           HN       THR  13  -7.723 -13.096  -5.871
  112    HA   THR  13           HA       THR  13  -9.120 -11.725  -8.010
  113    HB   THR  13           HB       THR  13 -10.469 -12.349  -5.330
  114    HG1  THR  13           HG1      THR  13 -10.830 -14.205  -6.499
  115   1HG2  THR  13          1HG2      THR  13 -11.535 -11.147  -7.940
  116   2HG2  THR  13          2HG2      THR  13 -12.493 -11.487  -6.479
  117   3HG2  THR  13          3HG2      THR  13 -11.239 -10.224  -6.447
  118    HA   PRO  14           HA       PRO  14  -7.009  -8.509  -6.074
  119   1HB   PRO  14          2HB       PRO  14  -7.914  -6.439  -7.611
  120   2HB   PRO  14          3HB       PRO  14  -6.595  -7.486  -8.095
  121   1HG   PRO  14          2HG       PRO  14  -9.384  -7.445  -9.074
  122   2HG   PRO  14          3HG       PRO  14  -7.970  -8.166  -9.817
  123   1HD   PRO  14          2HD       PRO  14 -10.057  -9.540  -8.409
  124   2HD   PRO  14          3HD       PRO  14  -8.586 -10.244  -9.052
  125    HA   PRO  15           HA       PRO  15  -9.522  -6.449  -3.335
  126   1HB   PRO  15          2HB       PRO  15  -8.458  -3.948  -3.049
  127   2HB   PRO  15          3HB       PRO  15  -7.791  -5.368  -2.268
  128   1HG   PRO  15          2HG       PRO  15  -6.768  -3.889  -4.615
  129   2HG   PRO  15          3HG       PRO  15  -5.923  -5.019  -3.575
  130   1HD   PRO  15          2HD       PRO  15  -6.931  -5.536  -6.210
  131   2HD   PRO  15          3HD       PRO  15  -6.190  -6.696  -5.125
  132    H    VAL  16           HN       VAL  16 -11.026  -6.724  -5.391
  133    HA   VAL  16           HA       VAL  16 -11.768  -4.433  -6.748
  134    HB   VAL  16           HB       VAL  16 -13.940  -5.669  -7.049
  135   1HG1  VAL  16          1HG1      VAL  16 -13.012  -7.238  -8.551
  136   2HG1  VAL  16          2HG1      VAL  16 -11.811  -5.928  -8.449
  137   3HG1  VAL  16          3HG1      VAL  16 -11.547  -7.448  -7.561
  138   1HG2  VAL  16          1HG2      VAL  16 -14.450  -7.060  -5.344
  139   2HG2  VAL  16          2HG2      VAL  16 -13.434  -8.220  -6.233
  140   3HG2  VAL  16          3HG2      VAL  16 -12.746  -7.289  -4.881
  141    H    ILE  17           HN       ILE  17 -12.952  -5.792  -3.612
  142    HA   ILE  17           HA       ILE  17 -15.020  -4.086  -3.137
  143    HB   ILE  17           HB       ILE  17 -12.995  -5.252  -1.226
  144   1HG1  ILE  17          2HG1      ILE  17 -15.770  -6.299  -1.509
  145   2HG1  ILE  17          3HG1      ILE  17 -14.666  -6.619  -2.832
  146   1HG2  ILE  17          1HG2      ILE  17 -15.576  -3.777  -0.712
  147   2HG2  ILE  17          2HG2      ILE  17 -14.915  -4.960   0.442
  148   3HG2  ILE  17          3HG2      ILE  17 -13.970  -3.515   0.009
  149   1HD1  ILE  17          1HD1      ILE  17 -14.680  -8.388  -1.004
  150   2HD1  ILE  17          2HD1      ILE  17 -13.074  -7.710  -1.364
  151   3HD1  ILE  17          3HD1      ILE  17 -13.962  -7.174   0.083
  152    H    GLN  18           HN       GLN  18 -11.504  -3.470  -2.914
  153    HA   GLN  18           HA       GLN  18 -12.057  -0.843  -1.855
  154   1HB   GLN  18          2HB       GLN  18  -9.411  -2.230  -2.472
  155   2HB   GLN  18          3HB       GLN  18  -9.567  -0.668  -1.693
  156   1HG   GLN  18          2HG       GLN  18 -10.815  -1.694   0.188
  157   2HG   GLN  18          3HG       GLN  18 -10.772  -3.257  -0.605
  158   1HE2  GLN  18          1HE2      GLN  18  -9.237  -4.590  -0.042
  159   2HE2  GLN  18          2HE2      GLN  18  -7.714  -4.195   0.683
  160    H    ALA  19           HN       ALA  19 -10.819  -2.487  -4.801
  161    HA   ALA  19           HA       ALA  19  -9.908  -0.263  -6.168
  162   1HB   ALA  19          1HB       ALA  19 -11.281  -2.737  -7.292
  163   2HB   ALA  19          2HB       ALA  19 -10.146  -1.666  -8.148
  164   3HB   ALA  19          3HB       ALA  19  -9.575  -2.662  -6.788
  165    H    ILE  20           HN       ILE  20 -13.210  -1.758  -6.070
  166    HA   ILE  20           HA       ILE  20 -14.308   0.085  -7.890
  167    HB   ILE  20           HB       ILE  20 -16.456  -0.820  -7.127
  168   1HG1  ILE  20          2HG1      ILE  20 -16.118  -2.872  -5.481
  169   2HG1  ILE  20          3HG1      ILE  20 -14.763  -1.918  -4.913
  170   1HG2  ILE  20          1HG2      ILE  20 -14.479  -3.077  -7.467
  171   2HG2  ILE  20          2HG2      ILE  20 -16.165  -2.977  -8.028
  172   3HG2  ILE  20          3HG2      ILE  20 -14.912  -1.968  -8.791
  173   1HD1  ILE  20          1HD1      ILE  20 -16.210  -0.693  -3.677
  174   2HD1  ILE  20          2HD1      ILE  20 -16.917  -0.080  -5.191
  175   3HD1  ILE  20          3HD1      ILE  20 -17.598  -1.529  -4.414
  176    H    HIS  21           HN       HIS  21 -13.837   0.051  -4.349
  177    HA   HIS  21           HA       HIS  21 -15.607   2.143  -3.794
  178   1HB   HIS  21          2HB       HIS  21 -15.021   0.856  -1.961
  179   2HB   HIS  21          3HB       HIS  21 -13.319   0.824  -2.379
  180    HD1  HIS  21           HD1      HIS  21 -15.921   3.339  -1.116
  181    HD2  HIS  21           HD2      HIS  21 -11.790   2.622  -0.983
  182    HE1  HIS  21           HE1      HIS  21 -14.944   5.082   0.470
  183    HE2  HIS  21           HE2      HIS  21 -12.411   4.557   0.553
  184    H    ASP  22           HN       ASP  22 -12.040   2.067  -4.426
  185    HA   ASP  22           HA       ASP  22 -11.665   4.775  -4.051
  186   1HB   ASP  22          2HB       ASP  22 -10.213   2.558  -5.477
  187   2HB   ASP  22          3HB       ASP  22  -9.720   4.196  -5.856
  188    H    ALA  23           HN       ALA  23 -12.636   2.772  -6.878
  189    HA   ALA  23           HA       ALA  23 -12.295   4.661  -8.883
  190   1HB   ALA  23          1HB       ALA  23 -12.706   2.242  -9.226
  191   2HB   ALA  23          2HB       ALA  23 -14.370   2.446  -8.629
  192   3HB   ALA  23          3HB       ALA  23 -13.864   3.239 -10.140
  193    H    GLN  24           HN       GLN  24 -14.968   4.092  -6.547
  194    HA   GLN  24           HA       GLN  24 -16.865   5.669  -7.689
  195   1HB   GLN  24          2HB       GLN  24 -16.236   5.280  -4.729
  196   2HB   GLN  24          3HB       GLN  24 -17.731   5.962  -5.336
  197   1HG   GLN  24          2HG       GLN  24 -17.956   3.790  -6.752
  198   2HG   GLN  24          3HG       GLN  24 -16.673   3.138  -5.752
  199   1HE2  GLN  24          1HE2      GLN  24 -19.918   3.357  -6.123
  200   2HE2  GLN  24          2HE2      GLN  24 -20.470   3.069  -4.507
  201    H    ARG  25           HN       ARG  25 -14.000   6.590  -5.738
  202    HA   ARG  25           HA       ARG  25 -14.787   9.238  -5.374
  203   1HB   ARG  25          2HB       ARG  25 -12.277   7.631  -5.057
  204   2HB   ARG  25          3HB       ARG  25 -12.042   9.358  -5.237
  205   1HG   ARG  25          2HG       ARG  25 -12.787   9.768  -3.128
  206   2HG   ARG  25          3HG       ARG  25 -14.246   8.833  -3.390
  207   1HD   ARG  25          2HD       ARG  25 -11.594   7.424  -2.920
  208   2HD   ARG  25          3HD       ARG  25 -12.525   8.028  -1.564
  209    HE   ARG  25           HE       ARG  25 -13.271   5.801  -3.357
  210   1HH1  ARG  25          2HH2      ARG  25 -14.303   8.027  -0.834
  211   2HH1  ARG  25          1HH2      ARG  25 -15.645   7.049  -0.343
  212   1HH2  ARG  25          2HH1      ARG  25 -15.042   4.510  -2.709
  213   2HH2  ARG  25          1HH1      ARG  25 -16.068   5.035  -1.417
  Start of MODEL   10
    1   1H    PHE   1           HN       PHE   1   1.884   0.000   0.829
    2    HA   PHE   1           HA       PHE   1   2.678   0.907  -1.259
    3   1HB   PHE   1          2HB       PHE   1   3.585  -1.249  -2.119
    4   2HB   PHE   1          3HB       PHE   1   3.527  -1.314  -0.369
    5    HD1  PHE   1           HD1      PHE   1   1.402  -2.406   0.669
    6    HD2  PHE   1           HD2      PHE   1   2.607  -2.949  -3.364
    7    HE1  PHE   1           HE1      PHE   1   0.039  -4.510   0.545
    8    HE2  PHE   1           HE2      PHE   1   1.244  -5.054  -3.488
    9    HZ   PHE   1           HZ       PHE   1  -0.024  -5.809  -1.532
   10    H    LEU   2           HN       LEU   2   2.568  -0.885  -3.631
   11    HA   LEU   2           HA       LEU   2   1.138   0.192  -5.422
   12   1HB   LEU   2          2HB       LEU   2   1.815  -2.532  -4.883
   13   2HB   LEU   2          3HB       LEU   2   0.227  -2.492  -5.623
   14    HG   LEU   2           HG       LEU   2   2.706  -1.183  -6.776
   15   1HD1  LEU   2          1HD1      LEU   2   1.337  -3.730  -7.678
   16   2HD1  LEU   2          2HD1      LEU   2   2.811  -2.995  -8.353
   17   3HD1  LEU   2          3HD1      LEU   2   2.826  -3.667  -6.704
   18   1HD2  LEU   2          1HD2      LEU   2   1.125  -1.296  -8.874
   19   2HD2  LEU   2          2HD2      LEU   2  -0.158  -1.298  -7.641
   20   3HD2  LEU   2          3HD2      LEU   2   1.008   0.045  -7.710
   21    HA   PRO   3           HA       PRO   3  -3.120  -1.166  -3.960
   22   1HB   PRO   3          2HB       PRO   3  -3.435  -2.727  -1.738
   23   2HB   PRO   3          3HB       PRO   3  -3.348  -3.378  -3.363
   24   1HG   PRO   3          2HG       PRO   3  -1.291  -3.410  -1.240
   25   2HG   PRO   3          3HG       PRO   3  -1.395  -4.399  -2.683
   26   1HD   PRO   3          2HD       PRO   3   0.339  -2.153  -2.263
   27   2HD   PRO   3          3HD       PRO   3   0.151  -3.070  -3.745
   28    H    LEU   4           HN       LEU   4  -1.356  -1.043  -0.894
   29    HA   LEU   4           HA       LEU   4  -3.271   0.562   0.345
   30   1HB   LEU   4          2HB       LEU   4  -0.455  -0.247   0.869
   31   2HB   LEU   4          3HB       LEU   4  -1.085   1.120   1.765
   32    HG   LEU   4           HG       LEU   4  -1.339  -0.886   3.070
   33   1HD1  LEU   4          1HD1      LEU   4  -4.138  -0.335   2.120
   34   2HD1  LEU   4          2HD1      LEU   4  -3.530  -0.603   3.771
   35   3HD1  LEU   4          3HD1      LEU   4  -3.187   0.930   2.935
   36   1HD2  LEU   4          1HD2      LEU   4  -2.564  -2.824   2.380
   37   2HD2  LEU   4          2HD2      LEU   4  -3.050  -2.043   0.856
   38   3HD2  LEU   4          3HD2      LEU   4  -1.344  -2.465   1.135
   39    H    LEU   5           HN       LEU   5  -0.495   1.299  -1.769
   40    HA   LEU   5           HA       LEU   5  -0.341   4.030  -1.156
   41   1HB   LEU   5          2HB       LEU   5   0.740   2.163  -3.139
   42   2HB   LEU   5          3HB       LEU   5   0.526   3.790  -3.754
   43    HG   LEU   5           HG       LEU   5   2.788   3.394  -2.874
   44   1HD1  LEU   5          1HD1      LEU   5   1.688   5.659  -2.850
   45   2HD1  LEU   5          2HD1      LEU   5   1.341   5.392  -1.124
   46   3HD1  LEU   5          3HD1      LEU   5   3.026   5.444  -1.695
   47   1HD2  LEU   5          1HD2      LEU   5   3.289   2.864  -0.661
   48   2HD2  LEU   5          2HD2      LEU   5   1.658   3.283  -0.085
   49   3HD2  LEU   5          3HD2      LEU   5   1.911   1.805  -1.044
   50    H    ILE   6           HN       ILE   6  -1.940   2.299  -3.926
   51    HA   ILE   6           HA       ILE   6  -3.142   4.615  -4.935
   52    HB   ILE   6           HB       ILE   6  -4.533   3.043  -6.212
   53   1HG1  ILE   6          2HG1      ILE   6  -3.213   0.926  -4.489
   54   2HG1  ILE   6          3HG1      ILE   6  -4.915   1.342  -4.510
   55   1HG2  ILE   6          1HG2      ILE   6  -2.827   2.896  -7.621
   56   2HG2  ILE   6          2HG2      ILE   6  -1.741   3.389  -6.300
   57   3HG2  ILE   6          3HG2      ILE   6  -2.036   1.662  -6.611
   58   1HD1  ILE   6          1HD1      ILE   6  -3.289   0.086  -6.758
   59   2HD1  ILE   6          2HD1      ILE   6  -4.685  -0.608  -5.899
   60   3HD1  ILE   6          3HD1      ILE   6  -4.917   0.761  -7.013
   61    H    LEU   7           HN       LEU   7  -4.147   2.197  -2.482
   62    HA   LEU   7           HA       LEU   7  -6.803   3.087  -2.291
   63   1HB   LEU   7          2HB       LEU   7  -5.796   0.899  -1.523
   64   2HB   LEU   7          3HB       LEU   7  -5.155   1.763  -0.139
   65    HG   LEU   7           HG       LEU   7  -8.106   1.725  -0.797
   66   1HD1  LEU   7          1HD1      LEU   7  -7.313  -0.591  -0.540
   67   2HD1  LEU   7          2HD1      LEU   7  -6.629  -0.171   1.049
   68   3HD1  LEU   7          3HD1      LEU   7  -8.388  -0.093   0.788
   69   1HD2  LEU   7          1HD2      LEU   7  -8.012   2.025   1.849
   70   2HD2  LEU   7          2HD2      LEU   7  -6.428   2.732   1.449
   71   3HD2  LEU   7          3HD2      LEU   7  -7.910   3.402   0.726
   72    H    GLY   8           HN       GLY   8  -3.820   3.866  -0.382
   73   1HA   GLY   8          1HA       GLY   8  -4.951   5.622   1.431
   74   2HA   GLY   8          2HA       GLY   8  -3.297   5.668   0.853
   75    H    SER   9           HN       SER   9  -3.793   6.183  -1.950
   76    HA   SER   9           HA       SER   9  -4.571   8.954  -1.679
   77   1HB   SER   9          2HB       SER   9  -2.368   8.283  -2.737
   78   2HB   SER   9          3HB       SER   9  -3.266   7.536  -4.043
   79    HG   SER   9           HG       SER   9  -4.129   9.582  -4.629
   80    H    LEU  10           HN       LEU  10  -6.522   6.636  -1.737
   81    HA   LEU  10           HA       LEU  10  -7.807   7.060  -4.321
   82   1HB   LEU  10          2HB       LEU  10  -7.371   4.801  -2.870
   83   2HB   LEU  10          3HB       LEU  10  -8.995   5.212  -2.357
   84    HG   LEU  10           HG       LEU  10  -9.124   3.672  -4.189
   85   1HD1  LEU  10          1HD1      LEU  10  -9.816   6.365  -5.372
   86   2HD1  LEU  10          2HD1      LEU  10 -10.626   4.799  -5.619
   87   3HD1  LEU  10          3HD1      LEU  10 -10.742   5.622  -4.045
   88   1HD2  LEU  10          1HD2      LEU  10  -7.276   5.587  -5.617
   89   2HD2  LEU  10          2HD2      LEU  10  -7.036   3.859  -5.266
   90   3HD2  LEU  10          3HD2      LEU  10  -8.244   4.362  -6.472
   91    H    LEU  11           HN       LEU  11  -7.893   9.419  -3.158
   92    HA   LEU  11           HA       LEU  11 -10.469   9.501  -1.749
   93   1HB   LEU  11          2HB       LEU  11  -7.966  11.119  -1.536
   94   2HB   LEU  11          3HB       LEU  11  -9.502  11.890  -1.198
   95    HG   LEU  11           HG       LEU  11  -8.556  11.158   0.869
   96   1HD1  LEU  11          1HD1      LEU  11 -10.656   9.070   0.323
   97   2HD1  LEU  11          2HD1      LEU  11 -10.362  10.017   1.801
   98   3HD1  LEU  11          3HD1      LEU  11 -11.057  10.803   0.363
   99   1HD2  LEU  11          1HD2      LEU  11  -7.153   9.334  -0.348
  100   2HD2  LEU  11          2HD2      LEU  11  -7.651   9.085   1.343
  101   3HD2  LEU  11          3HD2      LEU  11  -8.534   8.275   0.026
  102    H    MET  12           HN       MET  12  -8.391  11.312  -4.117
  103    HA   MET  12           HA       MET  12 -10.745  12.614  -5.109
  104   1HB   MET  12          2HB       MET  12  -7.774  12.684  -5.866
  105   2HB   MET  12          3HB       MET  12  -8.978  13.640  -6.707
  106   1HG   MET  12          2HG       MET  12  -9.604  14.758  -4.559
  107   2HG   MET  12          3HG       MET  12  -8.421  13.789  -3.703
  108   1HE   MET  12          1HE       MET  12  -7.681  17.370  -6.433
  109   2HE   MET  12          2HE       MET  12  -8.858  16.094  -6.825
  110   3HE   MET  12          3HE       MET  12  -9.070  17.080  -5.359
  111    H    THR  13           HN       THR  13  -8.148  10.439  -6.437
  112    HA   THR  13           HA       THR  13 -10.128   9.202  -8.159
  113    HB   THR  13           HB       THR  13  -7.642  10.616  -9.262
  114    HG1  THR  13           HG1      THR  13  -9.218  12.197  -8.919
  115   1HG2  THR  13          1HG2      THR  13  -8.661  10.119 -11.462
  116   2HG2  THR  13          2HG2      THR  13  -8.388   8.594 -10.585
  117   3HG2  THR  13          3HG2      THR  13 -10.023   9.293 -10.667
  118    HA   PRO  14           HA       PRO  14  -7.654   5.845  -7.086
  119   1HB   PRO  14          2HB       PRO  14  -8.862   3.926  -8.612
  120   2HB   PRO  14          3HB       PRO  14  -9.477   4.439  -7.053
  121   1HG   PRO  14          2HG       PRO  14 -10.499   5.082  -9.751
  122   2HG   PRO  14          3HG       PRO  14 -11.316   5.218  -8.207
  123   1HD   PRO  14          2HD       PRO  14 -10.191   7.360  -9.747
  124   2HD   PRO  14          3HD       PRO  14 -10.905   7.479  -8.151
  125    HA   PRO  15           HA       PRO  15  -4.682   5.089 -10.031
  126   1HB   PRO  15          2HB       PRO  15  -3.987   2.460  -9.766
  127   2HB   PRO  15          3HB       PRO  15  -3.422   3.714  -8.681
  128   1HG   PRO  15          2HG       PRO  15  -5.487   1.651  -8.213
  129   2HG   PRO  15          3HG       PRO  15  -4.617   2.619  -7.040
  130   1HD   PRO  15          2HD       PRO  15  -7.322   3.002  -7.913
  131   2HD   PRO  15          3HD       PRO  15  -6.414   4.037  -6.828
  132    H    VAL  16           HN       VAL  16  -6.776   5.490 -11.443
  133    HA   VAL  16           HA       VAL  16  -7.755   3.327 -12.880
  134    HB   VAL  16           HB       VAL  16  -8.388   5.088 -14.543
  135   1HG1  VAL  16          1HG1      VAL  16  -9.014   5.828 -11.666
  136   2HG1  VAL  16          2HG1      VAL  16 -10.010   6.144 -13.107
  137   3HG1  VAL  16          3HG1      VAL  16  -9.765   4.473 -12.543
  138   1HG2  VAL  16          1HG2      VAL  16  -8.001   7.488 -13.418
  139   2HG2  VAL  16          2HG2      VAL  16  -6.522   6.680 -12.842
  140   3HG2  VAL  16          3HG2      VAL  16  -6.858   6.783 -14.587
  141    H    ILE  17           HN       ILE  17  -4.993   5.569 -13.551
  142    HA   ILE  17           HA       ILE  17  -4.306   4.614 -16.027
  143    HB   ILE  17           HB       ILE  17  -1.995   5.377 -15.404
  144   1HG1  ILE  17          2HG1      ILE  17  -3.283   6.177 -12.781
  145   2HG1  ILE  17          3HG1      ILE  17  -2.237   4.784 -12.965
  146   1HG2  ILE  17          1HG2      ILE  17  -4.087   7.427 -14.685
  147   2HG2  ILE  17          2HG2      ILE  17  -2.556   7.645 -15.566
  148   3HG2  ILE  17          3HG2      ILE  17  -3.914   6.792 -16.339
  149   1HD1  ILE  17          1HD1      ILE  17  -0.882   6.654 -12.196
  150   2HD1  ILE  17          2HD1      ILE  17  -0.441   6.317 -13.887
  151   3HD1  ILE  17          3HD1      ILE  17  -1.499   7.695 -13.501
  152    H    GLN  18           HN       GLN  18  -4.066   3.071 -12.878
  153    HA   GLN  18           HA       GLN  18  -2.313   1.058 -14.020
  154   1HB   GLN  18          2HB       GLN  18  -3.130   1.695 -11.158
  155   2HB   GLN  18          3HB       GLN  18  -2.242   0.244 -11.578
  156   1HG   GLN  18          2HG       GLN  18  -1.336   3.112 -12.114
  157   2HG   GLN  18          3HG       GLN  18  -0.695   2.049 -10.877
  158   1HE2  GLN  18          1HE2      GLN  18  -0.422   3.138 -14.032
  159   2HE2  GLN  18          2HE2      GLN  18   0.701   1.981 -14.665
  160    H    ALA  19           HN       ALA  19  -5.571   1.629 -12.664
  161    HA   ALA  19           HA       ALA  19  -6.360  -1.028 -12.394
  162   1HB   ALA  19          1HB       ALA  19  -7.564   0.894 -11.440
  163   2HB   ALA  19          2HB       ALA  19  -7.974   1.464 -13.075
  164   3HB   ALA  19          3HB       ALA  19  -8.645  -0.072 -12.473
  165    H    ILE  20           HN       ILE  20  -6.763   1.293 -15.161
  166    HA   ILE  20           HA       ILE  20  -7.982  -0.662 -16.800
  167    HB   ILE  20           HB       ILE  20  -8.222   1.002 -18.317
  168   1HG1  ILE  20          2HG1      ILE  20  -5.774   1.173 -18.777
  169   2HG1  ILE  20          3HG1      ILE  20  -6.641   2.691 -18.898
  170   1HG2  ILE  20          1HG2      ILE  20  -7.534   2.911 -16.115
  171   2HG2  ILE  20          2HG2      ILE  20  -8.944   2.874 -17.201
  172   3HG2  ILE  20          3HG2      ILE  20  -8.824   1.711 -15.859
  173   1HD1  ILE  20          1HD1      ILE  20  -5.498   2.029 -16.206
  174   2HD1  ILE  20          2HD1      ILE  20  -4.341   2.439 -17.495
  175   3HD1  ILE  20          3HD1      ILE  20  -5.612   3.599 -17.037
  176    H    HIS  21           HN       HIS  21  -4.655   0.232 -16.026
  177    HA   HIS  21           HA       HIS  21  -3.482  -0.770 -18.364
  178   1HB   HIS  21          2HB       HIS  21  -2.268   0.763 -17.009
  179   2HB   HIS  21          3HB       HIS  21  -2.447  -0.232 -15.578
  180    HD1  HIS  21           HD1      HIS  21  -0.269  -1.274 -14.980
  181    HD2  HIS  21           HD2      HIS  21  -0.807  -1.050 -19.134
  182    HE1  HIS  21           HE1      HIS  21   1.806  -2.328 -16.028
  183    HE2  HIS  21           HE2      HIS  21   1.393  -2.211 -18.579
  184    H    ASP  22           HN       ASP  22  -4.078  -2.219 -15.096
  185    HA   ASP  22           HA       ASP  22  -2.836  -4.607 -15.600
  186   1HB   ASP  22          2HB       ASP  22  -4.391  -3.453 -13.546
  187   2HB   ASP  22          3HB       ASP  22  -5.292  -4.887 -13.996
  188    H    ALA  23           HN       ALA  23  -6.170  -3.416 -16.276
  189    HA   ALA  23           HA       ALA  23  -7.253  -5.897 -17.043
  190   1HB   ALA  23          1HB       ALA  23  -8.055  -3.085 -17.891
  191   2HB   ALA  23          2HB       ALA  23  -9.080  -4.540 -17.912
  192   3HB   ALA  23          3HB       ALA  23  -8.535  -3.858 -16.361
  193    H    GLN  24           HN       GLN  24  -5.720  -3.174 -18.873
  194    HA   GLN  24           HA       GLN  24  -6.121  -4.140 -21.382
  195   1HB   GLN  24          2HB       GLN  24  -3.887  -2.504 -20.147
  196   2HB   GLN  24          3HB       GLN  24  -3.843  -2.920 -21.849
  197   1HG   GLN  24          2HG       GLN  24  -5.802  -1.157 -20.374
  198   2HG   GLN  24          3HG       GLN  24  -4.965  -0.852 -21.883
  199   1HE2  GLN  24          1HE2      GLN  24  -7.837  -1.726 -20.459
  200   2HE2  GLN  24          2HE2      GLN  24  -8.687  -2.379 -21.820
  201    H    ARG  25           HN       ARG  25  -3.797  -5.180 -18.890
  202    HA   ARG  25           HA       ARG  25  -2.076  -6.558 -20.539
  203   1HB   ARG  25          2HB       ARG  25  -2.616  -6.315 -17.683
  204   2HB   ARG  25          3HB       ARG  25  -2.293  -7.995 -18.066
  205   1HG   ARG  25          2HG       ARG  25  -0.079  -7.522 -18.139
  206   2HG   ARG  25          3HG       ARG  25  -0.365  -6.506 -19.538
  207   1HD   ARG  25          2HD       ARG  25  -0.623  -5.565 -16.640
  208   2HD   ARG  25          3HD       ARG  25   0.784  -5.291 -17.649
  209    HE   ARG  25           HE       ARG  25  -1.855  -3.981 -17.915
  210   1HH1  ARG  25          2HH2      ARG  25   1.318  -4.552 -19.326
  211   2HH1  ARG  25          1HH2      ARG  25   1.238  -3.180 -20.380
  212   1HH2  ARG  25          2HH1      ARG  25  -1.962  -2.171 -19.306
  213   2HH2  ARG  25          1HH1      ARG  25  -0.641  -1.817 -20.368