*HEADER    ANTIMICROBIAL PROTEIN                   09-SEP-13   2MDB              
*TITLE     TACHYPLESIN I IN THE PRESENCE OF LIPOPOLYSACCHARIDE                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TACHYPLESIN-1;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: TACHYPLESIN I;                                              
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: TACHYPLEUS TRIDENTATUS;                         
*SOURCE   4 ORGANISM_COMMON: CHINESE HORSESHOE CRAB,JAPANESE HORSESHOE CRAB;     
*SOURCE   5 ORGANISM_TAXID: 6853;                                                
*SOURCE   6 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED.               
*KEYWDS    PEPTIDE/LPS, ANTIMICROBIAL PROTEIN                                    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    T.KUSHIBIKI, M.KAMIYA, T.AIZAWA, Y.KUMAKI, T.KIKUKAWA, M.MIZUGUCHI,   
*AUTHOR   2 M.DEMURA, S.KAWABATA, K.KAWANO                                       
*REVDAT   1   19-FEB-14 2MDB    0                                                


assign (resid 2 and name HN) (resid 2 and name HA) 3.00 1.20 0.00
assign (resid 3 and name HN) (resid 3 and name HA) 3.00 1.20 0.00
assign (resid 4 and name HN) (resid 4 and name HA) 4.00 2.20 0.00
assign (resid 5 and name HN) (resid 5 and name HA) 3.00 1.20 0.00
assign (resid 6 and name HN) (resid 6 and name HA) 3.00 1.20 0.00
assign (resid 7 and name HN) (resid 7 and name HA) 3.00 1.20 0.00
assign (resid 8 and name HN) (resid 8 and name HA) 3.00 1.20 0.00
assign (resid 9 and name HN) (resid 9 and name HA) 3.00 1.20 0.00
assign (resid 10 and name HN) (resid 10 and name HA1) 3.00 1.20 0.00
assign (resid 10 and name HN) (resid 10 and name HA2) 2.50 0.70 0.00
assign (resid 11 and name HN) (resid 11 and name HA) 3.00 1.20 0.00
assign (resid 12 and name HN) (resid 12 and name HA) 3.00 1.20 0.00
assign (resid 13 and name HN) (resid 13 and name HA) 3.00 1.20 0.00
assign (resid 14 and name HN) (resid 14 and name HA) 3.00 1.20 0.00
assign (resid 15 and name HN) (resid 15 and name HA) 3.00 1.20 0.00
assign (resid 16 and name HN) (resid 16 and name HA) 3.00 1.20 0.00
assign (resid 17 and name HN) (resid 17 and name HA) 3.00 1.20 0.00
assign (resid 3 and name HN) (resid 3 and name HB1) 4.00 2.20 0.00
assign (resid 3 and name HN) (resid 3 and name HB2) 4.00 2.20 0.00
assign (resid 4 and name HN) (resid 4 and name HB#) 4.00 2.20 0.00
assign (resid 5 and name HN) (resid 5 and name HB1) 4.00 2.20 0.00
assign (resid 5 and name HN) (resid 5 and name HB2) 4.00 2.20 0.00
assign (resid 6 and name HN) (resid 6 and name HB) 4.00 2.20 0.00
assign (resid 7 and name HN) (resid 7 and name HB1) 4.00 2.20 0.00
assign (resid 7 and name HN) (resid 7 and name HB2) 4.00 2.20 0.00
assign (resid 8 and name HN) (resid 8 and name HB#) 4.00 2.20 0.00
assign (resid 9 and name HN) (resid 9 and name HB1) 4.00 2.20 0.00
assign (resid 9 and name HN) (resid 9 and name HB2) 4.00 2.20 0.00
assign (resid 11 and name HN) (resid 11 and name HB) 4.00 2.20 0.00
assign (resid 12 and name HN) (resid 12 and name HB1) 4.00 2.20 0.00
assign (resid 12 and name HN) (resid 12 and name HB2) 4.00 2.20 0.00
assign (resid 13 and name HN) (resid 13 and name HB1) 4.00 2.20 0.00
assign (resid 13 and name HN) (resid 13 and name HB2) 4.00 2.20 0.00
assign (resid 14 and name HN) (resid 14 and name HB#) 4.00 2.20 0.00
assign (resid 15 and name HN) (resid 15 and name HB#) 4.00 2.20 0.00
assign (resid 17 and name HN) (resid 17 and name HB#) 4.00 2.20 0.00
assign (resid 5 and name HN) (resid 5 and name HG#) 5.00 3.20 0.00
assign (resid 6 and name HN) (resid 6 and name HG#) 5.00 3.20 0.00
assign (resid 8 and name HN) (resid 8 and name HD#) 6.00 4.20 0.00
assign (resid 9 and name HN) (resid 9 and name HG1) 4.00 2.20 0.00
assign (resid 9 and name HN) (resid 9 and name HG2) 4.00 2.20 0.00
assign (resid 9 and name HN) (resid 9 and name HD#) 5.00 3.20 0.00
assign (resid 11 and name HN) (resid 11 and name HG11) 4.00 2.20 0.00
assign (resid 11 and name HN) (resid 11 and name HG12) 4.00 2.20 0.00
assign (resid 11 and name HN) (resid 11 and name HG2#) 5.00 3.20 0.00
assign (resid 11 and name HN) (resid 11 and name HD1#) 6.00 4.20 0.00
assign (resid 13 and name HN) (resid 13 and name HD#) 6.00 4.20 0.00
assign (resid 15 and name HN) (resid 15 and name HG#) 5.00 3.20 0.00
assign (resid 17 and name HN) (resid 17 and name HG#) 5.00 3.20 0.00
assign (resid 1 and name HA) (resid 1 and name HB#) 5.00 3.20 0.00
assign (resid 2 and name HA) (resid 2 and name HD1) 4.00 2.20 0.00
assign (resid 2 and name HA) (resid 2 and name HE3) 5.00 3.20 0.00
assign (resid 2 and name HB#) (resid 2 and name HD1) 4.00 2.20 0.00
assign (resid 2 and name HB#) (resid 2 and name HE1) 6.00 4.20 0.00
assign (resid 2 and name HB#) (resid 2 and name HE3) 5.00 3.20 0.00
assign (resid 3 and name HA) (resid 3 and name HB1) 5.00 3.20 0.00
assign (resid 3 and name HA) (resid 3 and name HB2) 5.00 3.20 0.00
assign (resid 4 and name HA) (resid 4 and name HB#) 6.00 4.20 0.00
assign (resid 4 and name HB#) (resid 4 and name HE#) 6.00 4.20 0.00
assign (resid 4 and name HB#) (resid 4 and name HZ) 6.00 4.20 0.00
assign (resid 5 and name HA) (resid 5 and name HB1) 4.00 2.20 0.00
assign (resid 5 and name HA) (resid 5 and name HB2) 4.00 2.20 0.00
assign (resid 6 and name HA) (resid 6 and name HB) 4.00 2.20 0.00
assign (resid 6 and name HA) (resid 6 and name HG#) 5.00 3.20 0.00
assign (resid 7 and name HA) (resid 7 and name HB1) 4.00 2.20 0.00
assign (resid 7 and name HA) (resid 7 and name HB2) 4.00 2.20 0.00
assign (resid 8 and name HA) (resid 8 and name HD#) 6.00 4.20 0.00
assign (resid 8 and name HB#) (resid 8 and name HD#) 6.00 4.20 0.00
assign (resid 8 and name HD#) (resid 8 and name HE#) 6.00 4.20 0.00
assign (resid 9 and name HA) (resid 9 and name HB1) 4.00 2.20 0.00
assign (resid 9 and name HA) (resid 9 and name HB2) 4.00 2.20 0.00
assign (resid 9 and name HA) (resid 9 and name HG1) 4.00 2.20 0.00
assign (resid 9 and name HA) (resid 9 and name HG2) 4.00 2.20 0.00
assign (resid 9 and name HA) (resid 9 and name HD#) 6.00 4.20 0.00
assign (resid 11 and name HA) (resid 11 and name HB) 4.00 2.20 0.00
assign (resid 11 and name HA) (resid 11 and name HG11) 4.00 2.20 0.00
assign (resid 11 and name HA) (resid 11 and name HG12) 4.00 2.20 0.00
assign (resid 11 and name HA) (resid 11 and name HG2#) 4.00 2.20 0.00
assign (resid 11 and name HA) (resid 11 and name HD1#) 5.00 3.20 0.00
assign (resid 11 and name HB) (resid 11 and name HG2#) 5.00 3.20 0.00
assign (resid 11 and name HB) (resid 11 and name HD1#) 5.00 3.20 0.00
assign (resid 12 and name HA) (resid 12 and name HB1) 4.00 2.20 0.00
assign (resid 12 and name HA) (resid 12 and name HB2) 4.00 2.20 0.00
assign (resid 13 and name HA) (resid 13 and name HB1) 4.00 2.20 0.00
assign (resid 13 and name HA) (resid 13 and name HB2) 4.00 2.20 0.00
assign (resid 13 and name HA) (resid 13 and name HD#) 6.00 4.20 0.00
assign (resid 13 and name HB1) (resid 13 and name HD#) 5.00 3.20 0.00
assign (resid 13 and name HB2) (resid 13 and name HD#) 5.00 3.20 0.00
assign (resid 13 and name HB1) (resid 13 and name HE#) 6.00 4.20 0.00
assign (resid 13 and name HB2) (resid 13 and name HE#) 6.00 4.20 0.00
assign (resid 14 and name HA) (resid 14 and name HG2) 5.00 3.20 0.00
assign (resid 15 and name HA) (resid 15 and name HB#) 5.00 3.20 0.00
assign (resid 15 and name HA) (resid 15 and name HG#) 6.00 4.20 0.00
assign (resid 16 and name HA) (resid 16 and name HB1) 3.00 1.20 0.00
assign (resid 17 and name HA) (resid 17 and name HB#) 5.00 3.20 0.00
assign (resid 17 and name HA) (resid 18 and name HN1) 4.00 2.20 0.00
assign (resid 17 and name HA) (resid 18 and name HN2) 4.00 2.20 0.00
assign (resid 17 and name HB#) (resid 18 and name HN1) 6.00 4.20 0.00
assign (resid 17 and name HB#) (resid 18 and name HN2) 6.00 4.20 0.00
assign (resid 17 and name HG#) (resid 18 and name HN1) 6.00 4.20 0.00
assign (resid 17 and name HG#) (resid 18 and name HN2) 6.00 4.20 0.00
assign (resid 2 and name HN) (resid 3 and name HN) 5.00 3.20 0.00
assign (resid 3 and name HN) (resid 4 and name HN) 5.00 3.20 0.00
assign (resid 7 and name HN) (resid 8 and name HN) 5.00 3.20 0.00
assign (resid 9 and name HN) (resid 10 and name HN) 3.00 1.20 0.00
assign (resid 10 and name HN) (resid 11 and name HN) 2.50 0.70 0.00
assign (resid 11 and name HN) (resid 12 and name HN) 5.00 3.20 0.00
assign (resid 12 and name HN) (resid 13 and name HN) 5.00 3.20 0.00
assign (resid 13 and name HN) (resid 14 and name HN) 5.00 3.20 0.00
assign (resid 2 and name HN) (resid 3 and name HA) 5.00 3.20 0.00
assign (resid 4 and name HN) (resid 5 and name HA) 5.00 3.20 0.00
assign (resid 6 and name HN) (resid 7 and name HA) 5.00 3.20 0.00
assign (resid 8 and name HN) (resid 9 and name HA) 5.00 3.20 0.00
assign (resid 11 and name HN) (resid 12 and name HA) 5.00 3.20 0.00
assign (resid 15 and name HN) (resid 16 and name HA) 5.00 3.20 0.00
assign (resid 5 and name HN) (resid 6 and name HB) 5.00 3.20 0.00
assign (resid 10 and name HN) (resid 11 and name HG11) 5.00 3.20 0.00
assign (resid 1 and name HA) (resid 2 and name HN) 5.00 3.20 0.00
assign (resid 2 and name HA) (resid 3 and name HN) 2.50 0.70 0.00
assign (resid 3 and name HA) (resid 4 and name HN) 2.50 0.70 0.00
assign (resid 4 and name HA) (resid 5 and name HN) 2.50 0.70 0.00
assign (resid 5 and name HA) (resid 6 and name HN) 2.50 0.70 0.00
assign (resid 6 and name HA) (resid 7 and name HN) 2.50 0.70 0.00
assign (resid 7 and name HA) (resid 8 and name HN) 2.50 0.70 0.00
assign (resid 8 and name HA) (resid 9 and name HN) 4.00 2.20 0.00
assign (resid 9 and name HA) (resid 10 and name HN) 3.00 1.20 0.00
assign (resid 10 and name HA1) (resid 11 and name HN) 4.00 2.20 0.00
assign (resid 10 and name HA2) (resid 11 and name HN) 4.00 2.20 0.00
assign (resid 11 and name HA) (resid 12 and name HN) 2.50 0.70 0.00
assign (resid 12 and name HA) (resid 13 and name HN) 2.50 0.70 0.00
assign (resid 13 and name HA) (resid 14 and name HN) 2.50 0.70 0.00
assign (resid 14 and name HA) (resid 15 and name HN) 2.50 0.70 0.00
assign (resid 15 and name HA) (resid 16 and name HN) 2.50 0.70 0.00
assign (resid 16 and name HA) (resid 17 and name HN) 2.50 0.70 0.00
assign (resid 6 and name HA) (resid 7 and name HA) 5.00 3.20 0.00
assign (resid 11 and name HA) (resid 12 and name HA) 5.00 3.20 0.00
assign (resid 15 and name HA) (resid 16 and name HA) 5.00 3.20 0.00
assign (resid 16 and name HA) (resid 17 and name HA) 5.00 3.20 0.00
assign (resid 1 and name HB#) (resid 2 and name HN) 5.00 3.20 0.00
assign (resid 2 and name HB#) (resid 3 and name HN) 5.00 3.20 0.00
assign (resid 3 and name HB1) (resid 4 and name HN) 4.00 2.20 0.00
assign (resid 3 and name HB2) (resid 4 and name HN) 4.00 2.20 0.00
assign (resid 4 and name HB#) (resid 5 and name HN) 5.00 3.20 0.00
assign (resid 5 and name HB1) (resid 6 and name HN) 5.00 3.20 0.00
assign (resid 5 and name HB2) (resid 6 and name HN) 5.00 3.20 0.00
assign (resid 6 and name HB) (resid 7 and name HN) 5.00 3.20 0.00
assign (resid 6 and name HB) (resid 5 and name HN) 5.00 3.20 0.00
assign (resid 7 and name HB1) (resid 8 and name HN) 4.00 2.20 0.00
assign (resid 8 and name HB#) (resid 9 and name HN) 5.00 3.20 0.00
assign (resid 9 and name HB1) (resid 10 and name HN) 5.00 3.20 0.00
assign (resid 9 and name HB2) (resid 10 and name HN) 5.00 3.20 0.00
assign (resid 11 and name HB) (resid 12 and name HN) 5.00 3.20 0.00
assign (resid 12 and name HB1) (resid 13 and name HN) 4.00 2.20 0.00
assign (resid 12 and name HB2) (resid 13 and name HN) 5.00 3.20 0.00
assign (resid 13 and name HB1) (resid 14 and name HN) 4.00 2.20 0.00
assign (resid 13 and name HB2) (resid 14 and name HN) 4.00 2.20 0.00
assign (resid 14 and name HB#) (resid 15 and name HN) 5.00 3.20 0.00
assign (resid 15 and name HB#) (resid 16 and name HN) 5.00 3.20 0.00
assign (resid 16 and name HB1) (resid 17 and name HN) 4.00 2.20 0.00
assign (resid 16 and name HB2) (resid 17 and name HN) 4.00 2.20 0.00
assign (resid 6 and name HG#) (resid 7 and name HN) 5.00 3.20 0.00
assign (resid 8 and name HD#) (resid 9 and name HN) 6.00 4.20 0.00
assign (resid 11 and name HG11) (resid 12 and name HN) 5.00 3.20 0.00
assign (resid 11 and name HG2#) (resid 12 and name HN) 6.00 4.20 0.00
assign (resid 13 and name HD#) (resid 14 and name HN) 5.00 3.20 0.00
assign (resid 15 and name HG#) (resid 16 and name HN) 6.00 4.20 0.00
assign (resid 2 and name HA) (resid 3 and name HB2) 5.00 3.20 0.00
assign (resid 3 and name HA) (resid 4 and name HD1) 4.00 2.20 0.00
assign (resid 3 and name HA) (resid 4 and name HE1) 5.00 3.20 0.00
assign (resid 4 and name HB#) (resid 5 and name HA) 5.00 3.20 0.00
assign (resid 16 and name HB1) (resid 17 and name HA) 5.00 3.20 0.00
assign (resid 8 and name HN) (resid 10 and name HN) 4.00 2.20 0.00
assign (resid 8 and name HN) (resid 11 and name HN) 4.00 2.20 0.00
assign (resid 9 and name HN) (resid 11 and name HN) 5.00 3.20 0.00
assign (resid 8 and name HN) (resid 12 and name HA) 5.00 3.20 0.00
assign (resid 7 and name HA) (resid 9 and name HN) 5.00 3.20 0.00
assign (resid 7 and name HA) (resid 10 and name HN) 5.00 3.20 0.00
assign (resid 7 and name HA) (resid 11 and name HN) 5.00 3.20 0.00
assign (resid 7 and name HA) (resid 12 and name HN) 5.00 3.20 0.00
assign (resid 8 and name HA) (resid 10 and name HN) 5.00 3.20 0.00
assign (resid 9 and name HA) (resid 11 and name HN) 5.00 3.20 0.00
assign (resid 8 and name HN) (resid 11 and name HB) 5.00 3.20 0.00
assign (resid 7 and name HB1) (resid 11 and name HN) 5.00 3.20 0.00
assign (resid 9 and name HB2) (resid 11 and name HN) 5.00 3.20 0.00
assign (resid 2 and name HB#) (resid 4 and name HZ) 6.00 4.20 0.00
assign (resid 2 and name HN) (resid 17 and name HN) 5.00 3.20 0.00
assign (resid 4 and name HN) (resid 15 and name HN) 4.00 2.20 0.00
assign (resid 6 and name HN) (resid 13 and name HN) 4.00 2.20 0.00
assign (resid 4 and name HN) (resid 14 and name HA) 5.00 3.20 0.00
assign (resid 4 and name HN) (resid 15 and name HA) 5.00 3.20 0.00
assign (resid 4 and name HN) (resid 16 and name HA) 4.00 2.20 0.00
assign (resid 6 and name HN) (resid 12 and name HA) 5.00 3.20 0.00
assign (resid 6 and name HN) (resid 14 and name HA) 5.00 3.20 0.00
assign (resid 7 and name HN) (resid 12 and name HA) 5.00 3.20 0.00
assign (resid 2 and name HN) (resid 18 and name HN1) 5.00 3.20 0.00
assign (resid 2 and name HN) (resid 18 and name HN2) 5.00 3.20 0.00
assign (resid 3 and name HA) (resid 15 and name HN) 5.00 3.20 0.00
assign (resid 3 and name HA) (resid 16 and name HN) 5.00 3.20 0.00
assign (resid 3 and name HA) (resid 17 and name HN) 4.00 2.20 0.00
assign (resid 4 and name HA) (resid 15 and name HN) 5.00 3.20 0.00
assign (resid 5 and name HA) (resid 13 and name HN) 5.00 3.20 0.00
assign (resid 5 and name HA) (resid 14 and name HN) 5.00 3.20 0.00
assign (resid 5 and name HA) (resid 15 and name HN) 4.00 2.20 0.00
assign (resid 7 and name HA) (resid 13 and name HN) 4.00 2.20 0.00
assign (resid 3 and name HB1) (resid 15 and name HN) 5.00 3.20 0.00
assign (resid 4 and name HB#) (resid 15 and name HN) 5.00 3.20 0.00
assign (resid 1 and name HA) (resid 18 and name HN1) 5.00 3.20 0.00
assign (resid 1 and name HA) (resid 18 and name HN2) 5.00 3.20 0.00
assign (resid 3 and name HA) (resid 16 and name HA) 3.00 1.20 0.00
assign (resid 3 and name HA) (resid 16 and name HB1) 5.00 3.20 0.00
assign (resid 3 and name HB1) (resid 16 and name HA) 5.00 3.20 0.00
assign (resid 3 and name HB2) (resid 16 and name HA) 5.00 3.20 0.00
assign (resid 5 and name HB1) (resid 14 and name HA) 5.00 3.20 0.00
assign (resid 7 and name HA) (resid 12 and name HA) 3.00 1.20 0.00
assign (resid 7 and name HA) (resid 12 and name HB1) 5.00 3.20 0.00
assign (resid 7 and name HB1) (resid 12 and name HA) 5.00 3.20 0.00
assign (resid 7 and name HB2) (resid 12 and name HA) 5.00 3.20 0.00

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LYS   1           HT1      LYS   1  21.539   7.104  -2.765
    2    H2   LYS   1           HT2      LYS   1  20.171   6.533  -3.596
    3    H3   LYS   1           HT3      LYS   1  20.856   5.610  -2.345
    4    HA   LYS   1           HA       LYS   1  19.952   6.857  -0.701
    5    HB2  LYS   1           HB2      LYS   1  21.108   8.918  -1.482
    6    HB3  LYS   1           HB1      LYS   1  19.820   9.168  -2.661
    7    HG2  LYS   1           HG2      LYS   1  18.167   9.335  -0.862
    8    HG3  LYS   1           HG1      LYS   1  19.414   9.005   0.341
    9    HD2  LYS   1           HD2      LYS   1  20.616  11.053  -0.345
   10    HD3  LYS   1           HD1      LYS   1  19.353  11.391  -1.532
   11    HE2  LYS   1           HE2      LYS   1  17.681  11.529   0.269
   12    HE3  LYS   1           HE1      LYS   1  18.925  11.164   1.463
   13    HZ1  LYS   1           HZ1      LYS   1  20.096  13.189   0.336
   14    HZ2  LYS   1           HZ2      LYS   1  18.915  13.430   1.533
   15    HZ3  LYS   1           HZ3      LYS   1  18.513  13.604  -0.108
   16    H    TRP   2           HN       TRP   2  18.374   5.175  -1.268
   17    HA   TRP   2           HA       TRP   2  15.844   6.386  -2.165
   18    HB2  TRP   2           HB2      TRP   2  17.009   3.813  -3.251
   19    HB3  TRP   2           HB1      TRP   2  15.347   4.347  -3.507
   20    HD1  TRP   2           HD1      TRP   2  18.948   5.171  -4.448
   21    HE1  TRP   2           HE1      TRP   2  18.935   6.800  -6.446
   22    HE3  TRP   2           HE3      TRP   2  13.952   6.190  -4.724
   23    HZ2  TRP   2           HZ2      TRP   2  17.054   8.332  -7.962
   24    HZ3  TRP   2           HZ3      TRP   2  13.077   7.736  -6.453
   25    HH2  TRP   2           HH2      TRP   2  14.621   8.807  -8.070
   26    H    CYS   3           HN       CYS   3  14.105   5.715  -1.024
   27    HA   CYS   3           HA       CYS   3  14.595   3.736   1.118
   28    HB2  CYS   3           HB2      CYS   3  12.325   5.719   0.908
   29    HB3  CYS   3           HB1      CYS   3  12.807   4.778   2.319
   30    H    PHE   4           HN       PHE   4  13.134   2.070   1.508
   31    HA   PHE   4           HA       PHE   4  11.061   1.596  -0.549
   32    HB2  PHE   4           HB2      PHE   4  13.109  -0.426   0.399
   33    HB3  PHE   4           HB1      PHE   4  11.746  -0.767  -0.670
   34    HD1  PHE   4           HD2      PHE   4  11.646   0.229  -2.942
   35    HD2  PHE   4           HD1      PHE   4  15.068   0.735  -0.395
   36    HE1  PHE   4           HE2      PHE   4  12.988   0.968  -4.892
   37    HE2  PHE   4           HE1      PHE   4  16.410   1.474  -2.345
   38    HZ   PHE   4           HZ       PHE   4  15.370   1.590  -4.593
   39    H    ARG   5           HN       ARG   5   9.346   0.246   0.119
   40    HA   ARG   5           HA       ARG   5   9.205  -0.278   3.038
   41    HB2  ARG   5           HB2      ARG   5   7.923   1.763   2.467
   42    HB3  ARG   5           HB1      ARG   5   6.974   0.825   1.313
   43    HG2  ARG   5           HG2      ARG   5   6.189  -0.643   3.118
   44    HG3  ARG   5           HG1      ARG   5   7.180   0.237   4.281
   45    HD2  ARG   5           HD2      ARG   5   4.999   1.511   2.610
   46    HD3  ARG   5           HD1      ARG   5   4.765   0.939   4.259
   47    HE   ARG   5           HE       ARG   5   6.983   2.674   4.230
   48   HH11  ARG   5          HH21      ARG   5   3.558   2.677   3.741
   49   HH12  ARG   5          HH22      ARG   5   3.344   4.312   4.269
   50   HH21  ARG   5          HH11      ARG   5   6.710   4.819   4.924
   51   HH22  ARG   5          HH12      ARG   5   5.130   5.526   4.940
   52    H    VAL   6           HN       VAL   6   8.744  -2.320   3.483
   53    HA   VAL   6           HA       VAL   6   7.061  -3.873   1.625
   54    HB   VAL   6           HB       VAL   6   9.424  -4.353   1.053
   55   HG11  VAL   6          HG11      VAL   6  10.919  -5.327   2.654
   56   HG12  VAL   6          HG12      VAL   6   9.633  -5.492   3.849
   57   HG13  VAL   6          HG13      VAL   6  10.240  -3.892   3.422
   58   HG21  VAL   6          HG21      VAL   6   8.198  -6.693   2.531
   59   HG22  VAL   6          HG22      VAL   6   9.188  -6.733   1.073
   60   HG23  VAL   6          HG23      VAL   6   7.548  -6.091   1.006
   61    H    CYS   7           HN       CYS   7   5.705  -5.275   2.615
   62    HA   CYS   7           HA       CYS   7   5.730  -5.280   5.568
   63    HB2  CYS   7           HB2      CYS   7   3.498  -6.309   3.826
   64    HB3  CYS   7           HB1      CYS   7   3.424  -5.719   5.488
   65    H    TYR   8           HN       TYR   8   6.145  -7.078   6.703
   66    HA   TYR   8           HA       TYR   8   6.637  -9.572   5.196
   67    HB2  TYR   8           HB2      TYR   8   8.513  -8.659   6.532
   68    HB3  TYR   8           HB1      TYR   8   7.526  -8.791   7.984
   69    HD1  TYR   8           HD1      TYR   8   8.853 -10.811   5.127
   70    HD2  TYR   8           HD2      TYR   8   7.448 -10.815   9.185
   71    HE1  TYR   8           HE1      TYR   8   9.504 -13.193   5.350
   72    HE2  TYR   8           HE2      TYR   8   8.098 -13.196   9.409
   73    HH   TYR   8           HH       TYR   8  10.149 -14.740   7.357
   74    H    ARG   9           HN       ARG   9   5.913  -9.185   8.627
   75    HA   ARG   9           HA       ARG   9   3.892 -11.282   8.417
   76    HB2  ARG   9           HB2      ARG   9   3.917 -11.133  10.926
   77    HB3  ARG   9           HB1      ARG   9   5.473 -11.552  10.207
   78    HG2  ARG   9           HG2      ARG   9   6.216  -9.226  10.390
   79    HG3  ARG   9           HG1      ARG   9   4.645  -8.755  11.036
   80    HD2  ARG   9           HD2      ARG   9   6.228  -9.040  12.873
   81    HD3  ARG   9           HD1      ARG   9   5.002 -10.301  12.951
   82    HE   ARG   9           HE       ARG   9   6.644 -11.881  12.418
   83   HH11  ARG   9          HH21      ARG   9   7.786  -8.638  12.037
   84   HH12  ARG   9          HH22      ARG   9   9.445  -9.096  11.849
   85   HH21  ARG   9          HH11      ARG   9   8.820 -12.491  12.172
   86   HH22  ARG   9          HH12      ARG   9  10.030 -11.277  11.926
   87    H    GLY  10           HN       GLY  10   3.250  -8.748   7.245
   88    HA2  GLY  10           HA2      GLY  10   1.136  -7.707   7.096
   89    HA3  GLY  10           HA1      GLY  10   0.803  -8.175   8.761
   90    H    ILE  11           HN       ILE  11   3.846  -7.068   8.913
   91    HA   ILE  11           HA       ILE  11   2.958  -4.354   9.683
   92    HB   ILE  11           HB       ILE  11   5.451  -5.892  10.450
   93   HG12  ILE  11          HG12      ILE  11   3.029  -5.146  12.116
   94   HG13  ILE  11          HG11      ILE  11   3.260  -6.734  11.385
   95   HG21  ILE  11          HG21      ILE  11   4.363  -3.180  11.253
   96   HG22  ILE  11          HG22      ILE  11   5.909  -3.524  10.476
   97   HG23  ILE  11          HG23      ILE  11   5.631  -4.019  12.144
   98   HD11  ILE  11          HD11      ILE  11   5.002  -5.398  13.469
   99   HD12  ILE  11          HD12      ILE  11   5.492  -6.843  12.588
  100   HD13  ILE  11          HD13      ILE  11   4.077  -6.890  13.639
  101    H    CYS  12           HN       CYS  12   3.429  -2.741   8.364
  102    HA   CYS  12           HA       CYS  12   5.576  -3.085   6.364
  103    HB2  CYS  12           HB2      CYS  12   3.490  -0.901   6.454
  104    HB3  CYS  12           HB1      CYS  12   4.489  -1.399   5.088
  105    H    TYR  13           HN       TYR  13   7.414  -1.975   6.512
  106    HA   TYR  13           HA       TYR  13   7.502   0.501   8.110
  107    HB2  TYR  13           HB2      TYR  13   8.192  -1.343   9.607
  108    HB3  TYR  13           HB1      TYR  13   9.441  -1.802   8.450
  109    HD1  TYR  13           HD1      TYR  13   8.222   1.085  10.495
  110    HD2  TYR  13           HD2      TYR  13  11.548  -0.750   8.491
  111    HE1  TYR  13           HE1      TYR  13   9.745   2.787  11.464
  112    HE2  TYR  13           HE2      TYR  13  13.071   0.951   9.460
  113    HH   TYR  13           HH       TYR  13  12.308   2.853  12.020
  114    H    ARG  14           HN       ARG  14   9.322   1.853   7.616
  115    HA   ARG  14           HA       ARG  14  10.037   1.743   4.832
  116    HB2  ARG  14           HB2      ARG  14  10.845   3.622   7.063
  117    HB3  ARG  14           HB1      ARG  14  11.341   3.819   5.382
  118    HG2  ARG  14           HG2      ARG  14   8.983   3.940   4.686
  119    HG3  ARG  14           HG1      ARG  14   8.470   3.713   6.359
  120    HD2  ARG  14           HD2      ARG  14   9.645   5.789   6.999
  121    HD3  ARG  14           HD1      ARG  14  10.142   6.020   5.325
  122    HE   ARG  14           HE       ARG  14   7.349   5.766   5.358
  123   HH11  ARG  14          HH21      ARG  14   9.843   7.862   6.520
  124   HH12  ARG  14          HH22      ARG  14   8.862   9.288   6.462
  125   HH21  ARG  14          HH11      ARG  14   6.057   7.631   5.278
  126   HH22  ARG  14          HH12      ARG  14   6.718   9.157   5.759
  127    H    ARG  15           HN       ARG  15  11.983   1.270   3.926
  128    HA   ARG  15           HA       ARG  15  14.142   0.314   5.724
  129    HB2  ARG  15           HB2      ARG  15  12.921  -1.582   4.666
  130    HB3  ARG  15           HB1      ARG  15  13.326  -0.920   3.082
  131    HG2  ARG  15           HG2      ARG  15  15.718  -1.130   3.577
  132    HG3  ARG  15           HG1      ARG  15  15.348  -1.720   5.196
  133    HD2  ARG  15           HD2      ARG  15  14.167  -3.656   4.214
  134    HD3  ARG  15           HD1      ARG  15  14.560  -3.071   2.599
  135    HE   ARG  15           HE       ARG  15  16.968  -3.285   3.998
  136   HH11  ARG  15          HH21      ARG  15  14.369  -5.293   2.910
  137   HH12  ARG  15          HH22      ARG  15  15.356  -6.705   2.721
  138   HH21  ARG  15          HH11      ARG  15  18.268  -5.131   3.754
  139   HH22  ARG  15          HH12      ARG  15  17.563  -6.612   3.199
  140    H    CYS  16           HN       CYS  16  14.875   2.561   5.397
  141    HA   CYS  16           HA       CYS  16  16.111   2.996   2.742
  142    HB2  CYS  16           HB2      CYS  16  14.508   4.706   4.047
  143    HB3  CYS  16           HB1      CYS  16  16.037   5.180   4.776
  144    H    ARG  17           HN       ARG  17  18.262   3.861   2.682
  145    HA   ARG  17           HA       ARG  17  19.915   3.819   5.039
  146    HB2  ARG  17           HB2      ARG  17  19.703   1.394   4.554
  147    HB3  ARG  17           HB1      ARG  17  20.361   1.682   2.943
  148    HG2  ARG  17           HG2      ARG  17  22.433   2.575   3.944
  149    HG3  ARG  17           HG1      ARG  17  21.774   2.295   5.556
  150    HD2  ARG  17           HD2      ARG  17  23.229   0.440   4.980
  151    HD3  ARG  17           HD1      ARG  17  21.564  -0.132   4.990
  152    HE   ARG  17           HE       ARG  17  22.236   0.701   2.374
  153   HH11  ARG  17          HH21      ARG  17  22.939  -1.740   4.722
  154   HH12  ARG  17          HH22      ARG  17  23.319  -2.957   3.548
  155   HH21  ARG  17          HH11      ARG  17  22.735  -0.888   0.827
  156   HH22  ARG  17          HH12      ARG  17  23.205  -2.473   1.344
  157    HN1  NH2  18           HN1      NH2  18  19.734   3.946   1.479
  158    HN2  NH2  18           HN2      NH2  18  21.048   5.003   1.298
  Start of MODEL    2
    1    H1   LYS   1           HT1      LYS   1  19.863   7.392  -4.596
    2    H2   LYS   1           HT2      LYS   1  19.584   5.801  -4.066
    3    H3   LYS   1           HT3      LYS   1  20.921   6.673  -3.484
    4    HA   LYS   1           HA       LYS   1  19.499   6.911  -1.725
    5    HB2  LYS   1           HB2      LYS   1  18.579   9.144  -3.556
    6    HB3  LYS   1           HB1      LYS   1  18.642   9.170  -1.795
    7    HG2  LYS   1           HG2      LYS   1  21.066   8.846  -3.585
    8    HG3  LYS   1           HG1      LYS   1  20.566  10.369  -2.851
    9    HD2  LYS   1           HD2      LYS   1  20.655   9.109  -0.601
   10    HD3  LYS   1           HD1      LYS   1  21.545   7.862  -1.475
   11    HE2  LYS   1           HE2      LYS   1  23.200   9.555  -2.192
   12    HE3  LYS   1           HE1      LYS   1  22.333  10.774  -1.260
   13    HZ1  LYS   1           HZ1      LYS   1  23.415   8.275  -0.090
   14    HZ2  LYS   1           HZ2      LYS   1  22.776   9.610   0.743
   15    HZ3  LYS   1           HZ3      LYS   1  24.251   9.750  -0.087
   16    H    TRP   2           HN       TRP   2  18.118   5.103  -1.776
   17    HA   TRP   2           HA       TRP   2  15.335   5.772  -2.435
   18    HB2  TRP   2           HB2      TRP   2  16.288   4.598  -4.425
   19    HB3  TRP   2           HB1      TRP   2  16.640   3.215  -3.389
   20    HD1  TRP   2           HD1      TRP   2  14.621   1.757  -2.537
   21    HE1  TRP   2           HE1      TRP   2  12.148   1.598  -3.258
   22    HE3  TRP   2           HE3      TRP   2  14.251   6.008  -5.338
   23    HZ2  TRP   2           HZ2      TRP   2  10.265   3.084  -4.817
   24    HZ3  TRP   2           HZ3      TRP   2  12.109   6.613  -6.429
   25    HH2  TRP   2           HH2      TRP   2  10.118   5.158  -6.173
   26    H    CYS   3           HN       CYS   3  13.969   5.081  -0.912
   27    HA   CYS   3           HA       CYS   3  15.036   3.538   1.328
   28    HB2  CYS   3           HB2      CYS   3  12.361   4.887   0.897
   29    HB3  CYS   3           HB1      CYS   3  12.837   4.054   2.375
   30    H    PHE   4           HN       PHE   4  13.785   1.729   2.230
   31    HA   PHE   4           HA       PHE   4  12.381   0.172   0.122
   32    HB2  PHE   4           HB2      PHE   4  14.326  -0.780   2.231
   33    HB3  PHE   4           HB1      PHE   4  13.310  -1.852   1.271
   34    HD1  PHE   4           HD2      PHE   4  13.580  -1.952  -1.210
   35    HD2  PHE   4           HD1      PHE   4  16.260   0.290   1.287
   36    HE1  PHE   4           HE2      PHE   4  15.225  -1.851  -3.065
   37    HE2  PHE   4           HE1      PHE   4  17.904   0.391  -0.566
   38    HZ   PHE   4           HZ       PHE   4  17.387  -0.680  -2.742
   39    H    ARG   5           HN       ARG   5  10.570  -0.944   0.726
   40    HA   ARG   5           HA       ARG   5   9.765  -1.100   3.502
   41    HB2  ARG   5           HB2      ARG   5   7.525   0.096   2.834
   42    HB3  ARG   5           HB1      ARG   5   8.930   1.070   3.268
   43    HG2  ARG   5           HG2      ARG   5   9.492   1.415   0.934
   44    HG3  ARG   5           HG1      ARG   5   8.223   0.303   0.421
   45    HD2  ARG   5           HD2      ARG   5   7.435   2.596   0.170
   46    HD3  ARG   5           HD1      ARG   5   6.528   1.797   1.450
   47    HE   ARG   5           HE       ARG   5   8.801   3.175   2.500
   48   HH11  ARG   5          HH21      ARG   5   5.604   3.580   1.239
   49   HH12  ARG   5          HH22      ARG   5   5.299   5.046   2.110
   50   HH21  ARG   5          HH11      ARG   5   8.408   5.098   3.642
   51   HH22  ARG   5          HH12      ARG   5   6.885   5.905   3.470
   52    H    VAL   6           HN       VAL   6   9.244  -3.214   3.484
   53    HA   VAL   6           HA       VAL   6   7.305  -4.149   1.430
   54    HB   VAL   6           HB       VAL   6   9.722  -5.572   2.554
   55   HG11  VAL   6          HG11      VAL   6   7.272  -6.628   1.127
   56   HG12  VAL   6          HG12      VAL   6   8.016  -7.230   2.608
   57   HG13  VAL   6          HG13      VAL   6   8.814  -7.479   1.056
   58   HG21  VAL   6          HG21      VAL   6   8.793  -4.849  -0.243
   59   HG22  VAL   6          HG22      VAL   6  10.195  -5.859   0.110
   60   HG23  VAL   6          HG23      VAL   6  10.177  -4.171   0.616
   61    H    CYS   7           HN       CYS   7   5.502  -5.020   2.211
   62    HA   CYS   7           HA       CYS   7   5.329  -5.523   5.118
   63    HB2  CYS   7           HB2      CYS   7   3.021  -5.433   3.176
   64    HB3  CYS   7           HB1      CYS   7   2.996  -5.221   4.926
   65    H    TYR   8           HN       TYR   8   4.737  -7.493   5.926
   66    HA   TYR   8           HA       TYR   8   3.976  -9.648   4.102
   67    HB2  TYR   8           HB2      TYR   8   6.528  -9.541   4.207
   68    HB3  TYR   8           HB1      TYR   8   6.379 -10.006   5.901
   69    HD1  TYR   8           HD2      TYR   8   5.437 -12.200   6.530
   70    HD2  TYR   8           HD1      TYR   8   6.020 -11.094   2.422
   71    HE1  TYR   8           HE2      TYR   8   5.157 -14.569   5.853
   72    HE2  TYR   8           HE1      TYR   8   5.740 -13.461   1.743
   73    HH   TYR   8           HH       TYR   8   5.622 -15.583   2.487
   74    H    ARG   9           HN       ARG   9   5.270  -9.319   7.417
   75    HA   ARG   9           HA       ARG   9   3.339 -11.173   8.465
   76    HB2  ARG   9           HB2      ARG   9   5.338  -9.346   9.814
   77    HB3  ARG   9           HB1      ARG   9   4.320 -10.502  10.675
   78    HG2  ARG   9           HG2      ARG   9   5.278 -12.344   9.349
   79    HG3  ARG   9           HG1      ARG   9   6.288 -11.196   8.473
   80    HD2  ARG   9           HD2      ARG   9   6.367 -11.563  11.479
   81    HD3  ARG   9           HD1      ARG   9   7.473 -12.360  10.363
   82    HE   ARG   9           HE       ARG   9   7.550  -9.609   9.823
   83   HH11  ARG   9          HH21      ARG   9   8.304 -11.852  12.347
   84   HH12  ARG   9          HH22      ARG   9   9.594 -10.897  12.999
   85   HH21  ARG   9          HH11      ARG   9   9.239  -8.351  10.673
   86   HH22  ARG   9          HH12      ARG   9  10.124  -8.916  12.052
   87    H    GLY  10           HN       GLY  10   2.449  -8.588   7.171
   88    HA2  GLY  10           HA2      GLY  10   0.478  -7.373   7.465
   89    HA3  GLY  10           HA1      GLY  10   0.389  -7.964   9.123
   90    H    ILE  11           HN       ILE  11   3.450  -7.007   8.956
   91    HA   ILE  11           HA       ILE  11   2.827  -4.227   9.818
   92    HB   ILE  11           HB       ILE  11   5.054  -6.078  10.697
   93   HG12  ILE  11          HG12      ILE  11   2.778  -4.872  12.295
   94   HG13  ILE  11          HG11      ILE  11   2.702  -6.483  11.585
   95   HG21  ILE  11          HG21      ILE  11   5.924  -3.849  10.682
   96   HG22  ILE  11          HG22      ILE  11   5.442  -4.167  12.348
   97   HG23  ILE  11          HG23      ILE  11   4.414  -3.182  11.306
   98   HD11  ILE  11          HD11      ILE  11   4.809  -5.534  13.549
   99   HD12  ILE  11          HD12      ILE  11   4.707  -7.150  12.849
  100   HD13  ILE  11          HD13      ILE  11   3.446  -6.580  13.942
  101    H    CYS  12           HN       CYS  12   3.494  -2.720   8.460
  102    HA   CYS  12           HA       CYS  12   5.485  -3.338   6.420
  103    HB2  CYS  12           HB2      CYS  12   3.881  -0.822   6.938
  104    HB3  CYS  12           HB1      CYS  12   4.914  -1.109   5.538
  105    H    TYR  13           HN       TYR  13   7.545  -2.697   6.430
  106    HA   TYR  13           HA       TYR  13   8.475  -1.003   8.684
  107    HB2  TYR  13           HB2      TYR  13   9.878  -3.142   7.072
  108    HB3  TYR  13           HB1      TYR  13  10.698  -2.077   8.215
  109    HD1  TYR  13           HD2      TYR  13  10.123  -2.141  10.633
  110    HD2  TYR  13           HD1      TYR  13   8.459  -4.936   7.829
  111    HE1  TYR  13           HE2      TYR  13   9.427  -3.608  12.508
  112    HE2  TYR  13           HE1      TYR  13   7.762  -6.403   9.704
  113    HH   TYR  13           HH       TYR  13   8.884  -6.521  12.458
  114    H    ARG  14           HN       ARG  14  10.228   0.483   8.258
  115    HA   ARG  14           HA       ARG  14  10.467   1.306   5.418
  116    HB2  ARG  14           HB2      ARG  14   8.848   2.782   6.599
  117    HB3  ARG  14           HB1      ARG  14  10.109   3.190   7.762
  118    HG2  ARG  14           HG2      ARG  14  11.521   4.067   5.937
  119    HG3  ARG  14           HG1      ARG  14  10.266   3.651   4.769
  120    HD2  ARG  14           HD2      ARG  14   8.693   5.149   6.023
  121    HD3  ARG  14           HD1      ARG  14  10.042   5.643   7.040
  122    HE   ARG  14           HE       ARG  14   9.519   6.516   4.346
  123   HH11  ARG  14          HH21      ARG  14  11.954   5.860   6.717
  124   HH12  ARG  14          HH22      ARG  14  13.099   6.974   6.048
  125   HH21  ARG  14          HH11      ARG  14  11.017   7.978   3.465
  126   HH22  ARG  14          HH12      ARG  14  12.569   8.174   4.209
  127    H    ARG  15           HN       ARG  15  12.498   1.579   4.774
  128    HA   ARG  15           HA       ARG  15  14.578   2.192   6.785
  129    HB2  ARG  15           HB2      ARG  15  14.698  -0.043   4.748
  130    HB3  ARG  15           HB1      ARG  15  16.067   0.516   5.712
  131    HG2  ARG  15           HG2      ARG  15  14.874  -0.047   7.778
  132    HG3  ARG  15           HG1      ARG  15  13.462  -0.544   6.847
  133    HD2  ARG  15           HD2      ARG  15  14.734  -2.527   7.445
  134    HD3  ARG  15           HD1      ARG  15  14.872  -2.265   5.710
  135    HE   ARG  15           HE       ARG  15  17.138  -1.767   5.998
  136   HH11  ARG  15          HH21      ARG  15  15.458  -1.939   9.018
  137   HH12  ARG  15          HH22      ARG  15  16.900  -1.929   9.979
  138   HH21  ARG  15          HH11      ARG  15  19.033  -1.758   7.250
  139   HH22  ARG  15          HH12      ARG  15  18.925  -1.827   8.978
  140    H    CYS  16           HN       CYS  16  16.214   3.477   6.060
  141    HA   CYS  16           HA       CYS  16  16.302   4.153   3.187
  142    HB2  CYS  16           HB2      CYS  16  16.141   6.162   5.446
  143    HB3  CYS  16           HB1      CYS  16  16.459   6.552   3.756
  144    H    ARG  17           HN       ARG  17  18.293   5.191   2.542
  145    HA   ARG  17           HA       ARG  17  20.506   5.269   4.407
  146    HB2  ARG  17           HB2      ARG  17  20.364   2.852   3.840
  147    HB3  ARG  17           HB1      ARG  17  20.563   3.269   2.139
  148    HG2  ARG  17           HG2      ARG  17  22.745   4.288   2.617
  149    HG3  ARG  17           HG1      ARG  17  22.542   3.940   4.335
  150    HD2  ARG  17           HD2      ARG  17  23.950   2.224   3.322
  151    HD3  ARG  17           HD1      ARG  17  22.411   1.515   3.801
  152    HE   ARG  17           HE       ARG  17  22.266   2.392   1.104
  153   HH11  ARG  17          HH21      ARG  17  23.695  -0.011   3.145
  154   HH12  ARG  17          HH22      ARG  17  23.787  -1.212   1.900
  155   HH21  ARG  17          HH11      ARG  17  22.379   0.820  -0.532
  156   HH22  ARG  17          HH12      ARG  17  23.040  -0.741  -0.181
  157    HN1  NH2  18           HN1      NH2  18  20.633   4.670   0.883
  158    HN2  NH2  18           HN2      NH2  18  21.235   6.209   0.497
  Start of MODEL    3
    1    H1   LYS   1           HT1      LYS   1  19.694   6.319  -1.484
    2    H2   LYS   1           HT2      LYS   1  18.696   6.595  -0.139
    3    H3   LYS   1           HT3      LYS   1  19.784   7.795  -0.652
    4    HA   LYS   1           HA       LYS   1  17.601   8.419  -1.352
    5    HB2  LYS   1           HB2      LYS   1  19.523   8.843  -2.884
    6    HB3  LYS   1           HB1      LYS   1  19.188   7.308  -3.687
    7    HG2  LYS   1           HG2      LYS   1  16.950   8.085  -4.306
    8    HG3  LYS   1           HG1      LYS   1  17.219   9.602  -3.446
    9    HD2  LYS   1           HD2      LYS   1  19.109  10.118  -4.954
   10    HD3  LYS   1           HD1      LYS   1  18.818   8.610  -5.823
   11    HE2  LYS   1           HE2      LYS   1  16.572   9.373  -6.446
   12    HE3  LYS   1           HE1      LYS   1  16.809  10.864  -5.534
   13    HZ1  LYS   1           HZ1      LYS   1  18.664  10.060  -7.689
   14    HZ2  LYS   1           HZ2      LYS   1  18.426  11.602  -7.013
   15    HZ3  LYS   1           HZ3      LYS   1  17.243  10.923  -8.026
   16    H    TRP   2           HN       TRP   2  18.469   5.100  -1.971
   17    HA   TRP   2           HA       TRP   2  15.778   4.493  -3.029
   18    HB2  TRP   2           HB2      TRP   2  18.224   2.717  -2.860
   19    HB3  TRP   2           HB1      TRP   2  16.718   2.364  -3.709
   20    HD1  TRP   2           HD1      TRP   2  19.724   4.738  -3.827
   21    HE1  TRP   2           HE1      TRP   2  19.947   5.663  -6.222
   22    HE3  TRP   2           HE3      TRP   2  15.495   2.788  -5.918
   23    HZ2  TRP   2           HZ2      TRP   2  18.519   5.583  -8.701
   24    HZ3  TRP   2           HZ3      TRP   2  14.950   3.228  -8.296
   25    HH2  TRP   2           HH2      TRP   2  16.456   4.621  -9.688
   26    H    CYS   3           HN       CYS   3  14.463   4.403  -1.259
   27    HA   CYS   3           HA       CYS   3  15.274   2.749   1.046
   28    HB2  CYS   3           HB2      CYS   3  14.249   5.089   1.290
   29    HB3  CYS   3           HB1      CYS   3  12.727   4.347   0.799
   30    H    PHE   4           HN       PHE   4  14.063   0.998   1.729
   31    HA   PHE   4           HA       PHE   4  12.253  -0.174  -0.314
   32    HB2  PHE   4           HB2      PHE   4  14.085  -1.440   1.730
   33    HB3  PHE   4           HB1      PHE   4  12.846  -2.343   0.861
   34    HD1  PHE   4           HD2      PHE   4  12.958  -2.590  -1.603
   35    HD2  PHE   4           HD1      PHE   4  16.085  -0.670   0.626
   36    HE1  PHE   4           HE2      PHE   4  14.473  -2.794  -3.555
   37    HE2  PHE   4           HE1      PHE   4  17.602  -0.871  -1.324
   38    HZ   PHE   4           HZ       PHE   4  16.795  -1.932  -3.416
   39    H    ARG   5           HN       ARG   5  10.187  -0.308   0.199
   40    HA   ARG   5           HA       ARG   5   9.403  -0.600   3.035
   41    HB2  ARG   5           HB2      ARG   5   9.147   1.778   2.367
   42    HB3  ARG   5           HB1      ARG   5   8.092   1.274   1.049
   43    HG2  ARG   5           HG2      ARG   5   6.525   0.277   2.670
   44    HG3  ARG   5           HG1      ARG   5   7.584   0.761   3.995
   45    HD2  ARG   5           HD2      ARG   5   7.328   3.139   3.260
   46    HD3  ARG   5           HD1      ARG   5   6.161   2.602   2.053
   47    HE   ARG   5           HE       ARG   5   5.734   2.785   4.927
   48   HH11  ARG   5          HH21      ARG   5   4.745   1.458   1.887
   49   HH12  ARG   5          HH22      ARG   5   3.114   1.163   2.387
   50   HH21  ARG   5          HH11      ARG   5   3.597   2.395   5.594
   51   HH22  ARG   5          HH12      ARG   5   2.465   1.692   4.487
   52    H    VAL   6           HN       VAL   6   8.537  -2.584   3.062
   53    HA   VAL   6           HA       VAL   6   6.284  -3.151   1.267
   54    HB   VAL   6           HB       VAL   6   8.145  -4.169   0.095
   55   HG11  VAL   6          HG11      VAL   6   9.593  -5.825   1.207
   56   HG12  VAL   6          HG12      VAL   6   8.750  -5.540   2.730
   57   HG13  VAL   6          HG13      VAL   6   9.710  -4.255   2.000
   58   HG21  VAL   6          HG21      VAL   6   5.938  -5.427   0.425
   59   HG22  VAL   6          HG22      VAL   6   6.777  -6.380   1.647
   60   HG23  VAL   6          HG23      VAL   6   7.327  -6.413  -0.029
   61    H    CYS   7           HN       CYS   7   4.727  -4.426   2.197
   62    HA   CYS   7           HA       CYS   7   5.099  -5.073   5.065
   63    HB2  CYS   7           HB2      CYS   7   2.503  -4.975   3.515
   64    HB3  CYS   7           HB1      CYS   7   2.721  -4.959   5.263
   65    H    TYR   8           HN       TYR   8   5.119  -7.159   5.722
   66    HA   TYR   8           HA       TYR   8   3.892  -9.248   4.075
   67    HB2  TYR   8           HB2      TYR   8   6.238  -8.999   3.226
   68    HB3  TYR   8           HB1      TYR   8   6.816  -9.400   4.842
   69    HD1  TYR   8           HD1      TYR   8   4.857 -10.670   1.950
   70    HD2  TYR   8           HD2      TYR   8   6.822 -11.655   5.640
   71    HE1  TYR   8           HE1      TYR   8   4.596 -13.082   1.442
   72    HE2  TYR   8           HE2      TYR   8   6.563 -14.069   5.132
   73    HH   TYR   8           HH       TYR   8   5.166 -15.159   2.049
   74    H    ARG   9           HN       ARG   9   6.058  -8.720   6.862
   75    HA   ARG   9           HA       ARG   9   5.023 -10.968   8.311
   76    HB2  ARG   9           HB2      ARG   9   6.754  -8.627   9.143
   77    HB3  ARG   9           HB1      ARG   9   6.341  -9.970  10.212
   78    HG2  ARG   9           HG2      ARG   9   7.359 -11.560   8.639
   79    HG3  ARG   9           HG1      ARG   9   7.752 -10.237   7.540
   80    HD2  ARG   9           HD2      ARG   9   9.153  -9.204   9.302
   81    HD3  ARG   9           HD1      ARG   9   8.783 -10.554  10.374
   82    HE   ARG   9           HE       ARG   9   9.900 -11.401   7.857
   83   HH11  ARG   9          HH21      ARG   9  10.567 -10.174  11.022
   84   HH12  ARG   9          HH22      ARG   9  12.168 -10.835  11.092
   85   HH21  ARG   9          HH11      ARG   9  11.999 -12.264   7.938
   86   HH22  ARG   9          HH12      ARG   9  12.979 -12.016   9.343
   87    H    GLY  10           HN       GLY  10   3.195  -8.714   7.401
   88    HA2  GLY  10           HA2      GLY  10   1.156  -7.967   8.206
   89    HA3  GLY  10           HA1      GLY  10   1.555  -8.669   9.771
   90    H    ILE  11           HN       ILE  11   4.165  -6.893   8.879
   91    HA   ILE  11           HA       ILE  11   3.181  -4.408  10.181
   92    HB   ILE  11           HB       ILE  11   5.860  -5.776  10.536
   93   HG12  ILE  11          HG12      ILE  11   3.653  -5.237  12.543
   94   HG13  ILE  11          HG11      ILE  11   3.860  -6.780  11.716
   95   HG21  ILE  11          HG21      ILE  11   6.112  -3.932  12.285
   96   HG22  ILE  11          HG22      ILE  11   4.719  -3.151  11.534
   97   HG23  ILE  11          HG23      ILE  11   6.197  -3.400  10.605
   98   HD11  ILE  11          HD11      ILE  11   6.031  -7.107  12.696
   99   HD12  ILE  11          HD12      ILE  11   4.939  -6.655  14.004
  100   HD13  ILE  11          HD13      ILE  11   6.053  -5.463  13.335
  101    H    CYS  12           HN       CYS  12   3.509  -2.613   9.043
  102    HA   CYS  12           HA       CYS  12   5.155  -2.737   6.609
  103    HB2  CYS  12           HB2      CYS  12   3.206  -0.657   7.625
  104    HB3  CYS  12           HB1      CYS  12   4.079  -0.556   6.096
  105    H    TYR  13           HN       TYR  13   7.104  -1.843   6.490
  106    HA   TYR  13           HA       TYR  13   7.824   0.425   8.190
  107    HB2  TYR  13           HB2      TYR  13   8.364  -1.658   9.502
  108    HB3  TYR  13           HB1      TYR  13   9.496  -2.096   8.223
  109    HD1  TYR  13           HD1      TYR  13   8.628   0.700  10.551
  110    HD2  TYR  13           HD2      TYR  13  11.700  -1.243   8.260
  111    HE1  TYR  13           HE1      TYR  13  10.328   2.190  11.566
  112    HE2  TYR  13           HE2      TYR  13  13.401   0.250   9.277
  113    HH   TYR  13           HH       TYR  13  12.547   2.513  11.862
  114    H    ARG  14           HN       ARG  14   9.956   1.311   7.593
  115    HA   ARG  14           HA       ARG  14  10.715   0.693   4.790
  116    HB2  ARG  14           HB2      ARG  14  11.070   3.106   4.444
  117    HB3  ARG  14           HB1      ARG  14   9.390   2.762   4.856
  118    HG2  ARG  14           HG2      ARG  14   9.861   3.348   7.217
  119    HG3  ARG  14           HG1      ARG  14  11.524   3.739   6.778
  120    HD2  ARG  14           HD2      ARG  14  10.702   5.458   5.209
  121    HD3  ARG  14           HD1      ARG  14   9.044   5.083   5.669
  122    HE   ARG  14           HE       ARG  14  11.002   6.551   7.254
  123   HH11  ARG  14          HH21      ARG  14   7.995   4.839   7.121
  124   HH12  ARG  14          HH22      ARG  14   7.352   5.586   8.546
  125   HH21  ARG  14          HH11      ARG  14  10.163   7.530   9.123
  126   HH22  ARG  14          HH12      ARG  14   8.578   7.107   9.679
  127    H    ARG  15           HN       ARG  15  12.870   0.725   4.322
  128    HA   ARG  15           HA       ARG  15  14.747   1.260   6.569
  129    HB2  ARG  15           HB2      ARG  15  14.879  -0.899   4.451
  130    HB3  ARG  15           HB1      ARG  15  16.157  -0.547   5.615
  131    HG2  ARG  15           HG2      ARG  15  14.647  -1.052   7.472
  132    HG3  ARG  15           HG1      ARG  15  13.318  -1.323   6.345
  133    HD2  ARG  15           HD2      ARG  15  14.270  -3.472   6.994
  134    HD3  ARG  15           HD1      ARG  15  14.627  -3.165   5.296
  135    HE   ARG  15           HE       ARG  15  16.747  -2.201   6.920
  136   HH11  ARG  15          HH21      ARG  15  15.251  -5.105   5.780
  137   HH12  ARG  15          HH22      ARG  15  16.708  -6.041   5.834
  138   HH21  ARG  15          HH11      ARG  15  18.661  -3.419   6.991
  139   HH22  ARG  15          HH12      ARG  15  18.640  -5.085   6.520
  140    H    CYS  16           HN       CYS  16  15.023   3.405   5.761
  141    HA   CYS  16           HA       CYS  16  16.190   3.710   3.084
  142    HB2  CYS  16           HB2      CYS  16  15.757   5.922   5.086
  143    HB3  CYS  16           HB1      CYS  16  15.798   6.014   3.325
  144    H    ARG  17           HN       ARG  17  18.255   4.559   2.728
  145    HA   ARG  17           HA       ARG  17  20.030   5.045   4.990
  146    HB2  ARG  17           HB2      ARG  17  20.096   2.576   4.693
  147    HB3  ARG  17           HB1      ARG  17  20.611   2.817   3.023
  148    HG2  ARG  17           HG2      ARG  17  22.613   4.019   3.798
  149    HG3  ARG  17           HG1      ARG  17  22.098   3.813   5.473
  150    HD2  ARG  17           HD2      ARG  17  22.631   1.526   3.559
  151    HD3  ARG  17           HD1      ARG  17  23.792   2.118   4.743
  152    HE   ARG  17           HE       ARG  17  21.387   1.539   6.084
  153   HH11  ARG  17          HH21      ARG  17  23.935  -0.018   4.337
  154   HH12  ARG  17          HH22      ARG  17  23.796  -1.516   5.196
  155   HH21  ARG  17          HH11      ARG  17  21.196  -0.421   7.214
  156   HH22  ARG  17          HH12      ARG  17  22.245  -1.745   6.825
  157    HN1  NH2  18           HN1      NH2  18  19.355   5.133   1.546
  158    HN2  NH2  18           HN2      NH2  18  20.598   6.218   1.151
  Start of MODEL    4
    1    H1   LYS   1           HT1      LYS   1  19.903   4.800  -3.460
    2    H2   LYS   1           HT2      LYS   1  20.937   6.146  -3.378
    3    H3   LYS   1           HT3      LYS   1  20.032   5.850  -4.786
    4    HA   LYS   1           HA       LYS   1  19.082   6.795  -2.152
    5    HB2  LYS   1           HB2      LYS   1  19.815   8.452  -3.854
    6    HB3  LYS   1           HB1      LYS   1  18.648   7.775  -4.990
    7    HG2  LYS   1           HG2      LYS   1  16.806   8.347  -3.478
    8    HG3  LYS   1           HG1      LYS   1  17.951   8.969  -2.291
    9    HD2  LYS   1           HD2      LYS   1  18.715  10.665  -3.921
   10    HD3  LYS   1           HD1      LYS   1  17.552  10.051  -5.097
   11    HE2  LYS   1           HE2      LYS   1  15.701  10.605  -3.573
   12    HE3  LYS   1           HE1      LYS   1  16.852  11.194  -2.374
   13    HZ1  LYS   1           HZ1      LYS   1  15.904  12.450  -4.794
   14    HZ2  LYS   1           HZ2      LYS   1  17.587  12.548  -4.573
   15    HZ3  LYS   1           HZ3      LYS   1  16.536  13.148  -3.382
   16    H    TRP   2           HN       TRP   2  17.976   4.745  -1.770
   17    HA   TRP   2           HA       TRP   2  15.297   4.777  -2.889
   18    HB2  TRP   2           HB2      TRP   2  16.621   3.385  -4.499
   19    HB3  TRP   2           HB1      TRP   2  16.984   2.280  -3.174
   20    HD1  TRP   2           HD1      TRP   2  15.015   0.805  -2.211
   21    HE1  TRP   2           HE1      TRP   2  12.695   0.181  -3.147
   22    HE3  TRP   2           HE3      TRP   2  14.612   4.267  -5.942
   23    HZ2  TRP   2           HZ2      TRP   2  10.905   1.040  -5.206
   24    HZ3  TRP   2           HZ3      TRP   2  12.592   4.341  -7.376
   25    HH2  TRP   2           HH2      TRP   2  10.739   2.733  -7.011
   26    H    CYS   3           HN       CYS   3  13.981   4.510  -1.219
   27    HA   CYS   3           HA       CYS   3  14.981   3.282   1.244
   28    HB2  CYS   3           HB2      CYS   3  12.304   4.581   0.705
   29    HB3  CYS   3           HB1      CYS   3  12.989   4.182   2.278
   30    H    PHE   4           HN       PHE   4  13.876   1.588   2.325
   31    HA   PHE   4           HA       PHE   4  12.366  -0.186   0.497
   32    HB2  PHE   4           HB2      PHE   4  14.097  -0.816   2.895
   33    HB3  PHE   4           HB1      PHE   4  13.118  -2.004   2.034
   34    HD1  PHE   4           HD2      PHE   4  13.543  -2.406  -0.430
   35    HD2  PHE   4           HD1      PHE   4  16.197  -0.097   2.035
   36    HE1  PHE   4           HE2      PHE   4  15.340  -2.666  -2.120
   37    HE2  PHE   4           HE1      PHE   4  17.993  -0.357   0.344
   38    HZ   PHE   4           HZ       PHE   4  17.565  -1.641  -1.732
   39    H    ARG   5           HN       ARG   5  10.272  -0.368   0.897
   40    HA   ARG   5           HA       ARG   5   9.319  -0.461   3.664
   41    HB2  ARG   5           HB2      ARG   5   7.417   1.133   2.930
   42    HB3  ARG   5           HB1      ARG   5   8.983   1.839   3.330
   43    HG2  ARG   5           HG2      ARG   5   9.585   1.844   0.923
   44    HG3  ARG   5           HG1      ARG   5   7.997   1.185   0.538
   45    HD2  ARG   5           HD2      ARG   5   8.468   3.803   1.983
   46    HD3  ARG   5           HD1      ARG   5   8.118   3.661   0.263
   47    HE   ARG   5           HE       ARG   5   6.235   3.320   2.452
   48   HH11  ARG   5          HH21      ARG   5   7.012   2.739  -0.871
   49   HH12  ARG   5          HH22      ARG   5   5.366   2.526  -1.362
   50   HH21  ARG   5          HH11      ARG   5   4.073   3.042   1.814
   51   HH22  ARG   5          HH12      ARG   5   3.700   2.698   0.158
   52    H    VAL   6           HN       VAL   6   9.033  -2.701   3.018
   53    HA   VAL   6           HA       VAL   6   6.580  -3.095   1.392
   54    HB   VAL   6           HB       VAL   6   9.083  -4.790   1.485
   55   HG11  VAL   6          HG11      VAL   6   6.318  -5.338   0.383
   56   HG12  VAL   6          HG12      VAL   6   7.249  -6.328   1.508
   57   HG13  VAL   6          HG13      VAL   6   7.749  -6.204  -0.175
   58   HG21  VAL   6          HG21      VAL   6   7.630  -3.514  -0.852
   59   HG22  VAL   6          HG22      VAL   6   9.208  -4.299  -0.877
   60   HG23  VAL   6          HG23      VAL   6   9.000  -2.765  -0.034
   61    H    CYS   7           HN       CYS   7   5.011  -4.278   2.298
   62    HA   CYS   7           HA       CYS   7   5.382  -5.158   5.053
   63    HB2  CYS   7           HB2      CYS   7   3.141  -4.377   3.351
   64    HB3  CYS   7           HB1      CYS   7   2.785  -5.845   4.257
   65    H    TYR   8           HN       TYR   8   5.165  -7.247   5.793
   66    HA   TYR   8           HA       TYR   8   4.755  -9.403   3.839
   67    HB2  TYR   8           HB2      TYR   8   7.243  -8.854   4.021
   68    HB3  TYR   8           HB1      TYR   8   7.146  -9.432   5.685
   69    HD1  TYR   8           HD1      TYR   8   6.590 -10.407   2.135
   70    HD2  TYR   8           HD2      TYR   8   7.067 -11.762   6.181
   71    HE1  TYR   8           HE1      TYR   8   6.761 -12.747   1.331
   72    HE2  TYR   8           HE2      TYR   8   7.239 -14.100   5.380
   73    HH   TYR   8           HH       TYR   8   7.853 -15.288   3.302
   74    H    ARG   9           HN       ARG   9   5.754  -8.855   7.228
   75    HA   ARG   9           HA       ARG   9   4.172 -11.121   8.119
   76    HB2  ARG   9           HB2      ARG   9   5.817  -9.079   9.634
   77    HB3  ARG   9           HB1      ARG   9   5.017 -10.468  10.371
   78    HG2  ARG   9           HG2      ARG   9   6.308 -11.984   8.901
   79    HG3  ARG   9           HG1      ARG   9   7.127 -10.590   8.199
   80    HD2  ARG   9           HD2      ARG   9   7.170 -11.246  11.152
   81    HD3  ARG   9           HD1      ARG   9   8.432 -11.736  10.026
   82    HE   ARG   9           HE       ARG   9   7.945  -9.048  11.030
   83   HH11  ARG   9          HH21      ARG   9   9.396 -11.072   8.627
   84   HH12  ARG   9          HH22      ARG   9  10.592  -9.907   8.168
   85   HH21  ARG   9          HH11      ARG   9   9.512  -7.515  10.434
   86   HH22  ARG   9          HH12      ARG   9  10.657  -7.891   9.193
   87    H    GLY  10           HN       GLY  10   2.999  -8.543   6.949
   88    HA2  GLY  10           HA2      GLY  10   0.817  -7.713   7.263
   89    HA3  GLY  10           HA1      GLY  10   0.843  -8.309   8.918
   90    H    ILE  11           HN       ILE  11   3.730  -6.903   8.691
   91    HA   ILE  11           HA       ILE  11   2.724  -4.211   9.447
   92    HB   ILE  11           HB       ILE  11   5.053  -5.752  10.614
   93   HG12  ILE  11          HG12      ILE  11   2.498  -4.798  11.937
   94   HG13  ILE  11          HG11      ILE  11   2.698  -6.428  11.299
   95   HG21  ILE  11          HG21      ILE  11   5.006  -3.746  12.220
   96   HG22  ILE  11          HG22      ILE  11   4.011  -2.937  11.009
   97   HG23  ILE  11          HG23      ILE  11   5.652  -3.444  10.608
   98   HD11  ILE  11          HD11      ILE  11   4.732  -6.680  12.752
   99   HD12  ILE  11          HD12      ILE  11   3.235  -6.474  13.663
  100   HD13  ILE  11          HD13      ILE  11   4.349  -5.119  13.477
  101    H    CYS  12           HN       CYS  12   3.551  -2.551   8.357
  102    HA   CYS  12           HA       CYS  12   5.584  -3.063   6.330
  103    HB2  CYS  12           HB2      CYS  12   3.839  -0.688   6.980
  104    HB3  CYS  12           HB1      CYS  12   5.101  -0.633   5.750
  105    H    TYR  13           HN       TYR  13   7.671  -2.813   6.727
  106    HA   TYR  13           HA       TYR  13   8.509  -1.039   8.945
  107    HB2  TYR  13           HB2      TYR  13   9.978  -3.279   7.544
  108    HB3  TYR  13           HB1      TYR  13  10.640  -2.291   8.842
  109    HD1  TYR  13           HD2      TYR  13   9.760  -2.449  11.132
  110    HD2  TYR  13           HD1      TYR  13   8.250  -4.940   7.976
  111    HE1  TYR  13           HE2      TYR  13   8.673  -3.918  12.809
  112    HE2  TYR  13           HE1      TYR  13   7.163  -6.408   9.654
  113    HH   TYR  13           HH       TYR  13   6.326  -6.190  12.017
  114    H    ARG  14           HN       ARG  14   9.655   0.746   8.549
  115    HA   ARG  14           HA       ARG  14  10.344   1.365   5.750
  116    HB2  ARG  14           HB2      ARG  14  10.111   3.144   8.193
  117    HB3  ARG  14           HB1      ARG  14  10.536   3.698   6.573
  118    HG2  ARG  14           HG2      ARG  14   8.391   2.882   5.705
  119    HG3  ARG  14           HG1      ARG  14   7.962   2.270   7.303
  120    HD2  ARG  14           HD2      ARG  14   8.576   5.176   6.713
  121    HD3  ARG  14           HD1      ARG  14   6.947   4.506   6.776
  122    HE   ARG  14           HE       ARG  14   8.267   3.828   9.167
  123   HH11  ARG  14          HH21      ARG  14   7.100   6.585   7.434
  124   HH12  ARG  14          HH22      ARG  14   6.785   7.520   8.856
  125   HH21  ARG  14          HH11      ARG  14   7.859   5.050  11.039
  126   HH22  ARG  14          HH12      ARG  14   7.216   6.651  10.898
  127    H    ARG  15           HN       ARG  15  12.399   1.604   5.083
  128    HA   ARG  15           HA       ARG  15  14.556   2.033   6.999
  129    HB2  ARG  15           HB2      ARG  15  14.255  -0.432   6.973
  130    HB3  ARG  15           HB1      ARG  15  14.522  -0.423   5.230
  131    HG2  ARG  15           HG2      ARG  15  16.760   0.551   5.567
  132    HG3  ARG  15           HG1      ARG  15  16.494   0.569   7.310
  133    HD2  ARG  15           HD2      ARG  15  16.429  -1.928   5.595
  134    HD3  ARG  15           HD1      ARG  15  17.826  -1.402   6.531
  135    HE   ARG  15           HE       ARG  15  15.387  -2.592   7.573
  136   HH11  ARG  15          HH21      ARG  15  18.221  -0.701   8.182
  137   HH12  ARG  15          HH22      ARG  15  18.250  -1.037   9.881
  138   HH21  ARG  15          HH11      ARG  15  15.418  -3.037   9.800
  139   HH22  ARG  15          HH12      ARG  15  16.662  -2.360  10.798
  140    H    CYS  16           HN       CYS  16  15.875   3.481   6.133
  141    HA   CYS  16           HA       CYS  16  16.501   3.365   3.264
  142    HB2  CYS  16           HB2      CYS  16  14.529   5.007   3.898
  143    HB3  CYS  16           HB1      CYS  16  15.849   6.053   4.417
  144    H    ARG  17           HN       ARG  17  18.249   5.029   2.747
  145    HA   ARG  17           HA       ARG  17  19.913   5.925   4.916
  146    HB2  ARG  17           HB2      ARG  17  20.479   3.521   4.887
  147    HB3  ARG  17           HB1      ARG  17  20.919   3.657   3.183
  148    HG2  ARG  17           HG2      ARG  17  22.665   5.288   3.740
  149    HG3  ARG  17           HG1      ARG  17  22.205   5.218   5.441
  150    HD2  ARG  17           HD2      ARG  17  22.710   2.754   5.393
  151    HD3  ARG  17           HD1      ARG  17  23.338   2.967   3.761
  152    HE   ARG  17           HE       ARG  17  24.541   4.762   5.669
  153   HH11  ARG  17          HH21      ARG  17  24.553   1.577   4.319
  154   HH12  ARG  17          HH22      ARG  17  26.221   1.280   4.680
  155   HH21  ARG  17          HH11      ARG  17  26.730   4.380   6.146
  156   HH22  ARG  17          HH12      ARG  17  27.453   2.868   5.714
  157    HN1  NH2  18           HN1      NH2  18  19.297   5.551   1.478
  158    HN2  NH2  18           HN2      NH2  18  20.320   6.809   0.976
  Start of MODEL    5
    1    H1   LYS   1           HT1      LYS   1  19.970   7.851  -3.379
    2    H2   LYS   1           HT2      LYS   1  20.282   9.381  -2.711
    3    H3   LYS   1           HT3      LYS   1  18.859   9.113  -3.601
    4    HA   LYS   1           HA       LYS   1  19.516   7.740  -1.054
    5    HB2  LYS   1           HB2      LYS   1  19.182  10.211  -0.802
    6    HB3  LYS   1           HB1      LYS   1  17.592  10.031  -1.547
    7    HG2  LYS   1           HG2      LYS   1  16.888   8.518   0.241
    8    HG3  LYS   1           HG1      LYS   1  18.493   8.595   0.966
    9    HD2  LYS   1           HD2      LYS   1  18.220  11.027   1.314
   10    HD3  LYS   1           HD1      LYS   1  16.607  10.942   0.604
   11    HE2  LYS   1           HE2      LYS   1  15.899   9.385   2.378
   12    HE3  LYS   1           HE1      LYS   1  17.512   9.452   3.086
   13    HZ1  LYS   1           HZ1      LYS   1  15.452  11.096   3.709
   14    HZ2  LYS   1           HZ2      LYS   1  16.358  12.043   2.628
   15    HZ3  LYS   1           HZ3      LYS   1  17.088  11.411   4.028
   16    H    TRP   2           HN       TRP   2  18.753   5.752  -1.750
   17    HA   TRP   2           HA       TRP   2  15.964   5.658  -2.748
   18    HB2  TRP   2           HB2      TRP   2  18.140   3.561  -2.919
   19    HB3  TRP   2           HB1      TRP   2  16.515   3.430  -3.590
   20    HD1  TRP   2           HD1      TRP   2  15.921   5.767  -5.214
   21    HE1  TRP   2           HE1      TRP   2  17.399   6.659  -7.129
   22    HE3  TRP   2           HE3      TRP   2  20.393   3.664  -3.928
   23    HZ2  TRP   2           HZ2      TRP   2  20.119   6.500  -7.999
   24    HZ3  TRP   2           HZ3      TRP   2  22.409   4.051  -5.317
   25    HH2  TRP   2           HH2      TRP   2  22.279   5.465  -7.349
   26    H    CYS   3           HN       CYS   3  14.449   4.436  -1.704
   27    HA   CYS   3           HA       CYS   3  15.278   3.116   0.818
   28    HB2  CYS   3           HB2      CYS   3  14.032   5.418   0.953
   29    HB3  CYS   3           HB1      CYS   3  12.609   4.456   0.566
   30    H    PHE   4           HN       PHE   4  13.856   1.418   1.539
   31    HA   PHE   4           HA       PHE   4  12.150   0.266  -0.591
   32    HB2  PHE   4           HB2      PHE   4  14.201  -1.204   1.080
   33    HB3  PHE   4           HB1      PHE   4  13.027  -1.974   0.014
   34    HD1  PHE   4           HD2      PHE   4  13.150  -1.668  -2.435
   35    HD2  PHE   4           HD1      PHE   4  16.112  -0.006   0.197
   36    HE1  PHE   4           HE2      PHE   4  14.663  -1.301  -4.366
   37    HE2  PHE   4           HE1      PHE   4  17.623   0.361  -1.735
   38    HZ   PHE   4           HZ       PHE   4  16.898  -0.286  -4.016
   39    H    ARG   5           HN       ARG   5  10.453  -1.078   0.148
   40    HA   ARG   5           HA       ARG   5   9.957  -1.131   3.048
   41    HB2  ARG   5           HB2      ARG   5   7.637  -0.338   2.690
   42    HB3  ARG   5           HB1      ARG   5   8.833   0.893   2.277
   43    HG2  ARG   5           HG2      ARG   5   8.653   0.271  -0.107
   44    HG3  ARG   5           HG1      ARG   5   7.444  -0.945   0.304
   45    HD2  ARG   5           HD2      ARG   5   6.304   1.061  -0.452
   46    HD3  ARG   5           HD1      ARG   5   6.013   0.848   1.273
   47    HE   ARG   5           HE       ARG   5   8.294   2.495   0.872
   48   HH11  ARG   5          HH21      ARG   5   4.846   2.442   0.594
   49   HH12  ARG   5          HH22      ARG   5   4.662   4.146   0.851
   50   HH21  ARG   5          HH11      ARG   5   8.061   4.728   1.211
   51   HH22  ARG   5          HH12      ARG   5   6.482   5.438   1.201
   52    H    VAL   6           HN       VAL   6   8.904  -2.933   3.724
   53    HA   VAL   6           HA       VAL   6   7.560  -4.647   1.754
   54    HB   VAL   6           HB       VAL   6   9.825  -5.495   1.707
   55   HG11  VAL   6          HG11      VAL   6  10.574  -4.489   3.843
   56   HG12  VAL   6          HG12      VAL   6  10.963  -6.208   3.769
   57   HG13  VAL   6          HG13      VAL   6   9.590  -5.655   4.727
   58   HG21  VAL   6          HG21      VAL   6   7.805  -7.076   1.920
   59   HG22  VAL   6          HG22      VAL   6   8.298  -7.295   3.598
   60   HG23  VAL   6          HG23      VAL   6   9.387  -7.762   2.291
   61    H    CYS   7           HN       CYS   7   5.893  -5.791   2.599
   62    HA   CYS   7           HA       CYS   7   5.373  -5.445   5.494
   63    HB2  CYS   7           HB2      CYS   7   3.543  -5.668   3.112
   64    HB3  CYS   7           HB1      CYS   7   2.967  -5.942   4.756
   65    H    TYR   8           HN       TYR   8   5.208  -7.193   6.753
   66    HA   TYR   8           HA       TYR   8   5.384  -9.843   5.468
   67    HB2  TYR   8           HB2      TYR   8   6.095  -8.828   8.219
   68    HB3  TYR   8           HB1      TYR   8   5.976 -10.551   7.859
   69    HD1  TYR   8           HD2      TYR   8   7.484 -11.598   6.188
   70    HD2  TYR   8           HD1      TYR   8   7.915  -7.491   7.369
   71    HE1  TYR   8           HE2      TYR   8   9.760 -11.555   5.204
   72    HE2  TYR   8           HE1      TYR   8  10.192  -7.450   6.383
   73    HH   TYR   8           HH       TYR   8  12.019  -9.652   5.887
   74    H    ARG   9           HN       ARG   9   2.887  -8.695   5.328
   75    HA   ARG   9           HA       ARG   9   0.675  -9.024   5.856
   76    HB2  ARG   9           HB2      ARG   9   1.720 -11.665   6.904
   77    HB3  ARG   9           HB1      ARG   9   0.064 -11.315   6.421
   78    HG2  ARG   9           HG2      ARG   9   2.352 -10.921   4.487
   79    HG3  ARG   9           HG1      ARG   9   1.614 -12.501   4.700
   80    HD2  ARG   9           HD2      ARG   9  -0.619 -11.461   4.221
   81    HD3  ARG   9           HD1      ARG   9   0.210  -9.953   3.858
   82    HE   ARG   9           HE       ARG   9   1.347 -12.031   2.318
   83   HH11  ARG   9          HH21      ARG   9  -1.536 -10.152   2.676
   84   HH12  ARG   9          HH22      ARG   9  -1.978 -10.259   1.004
   85   HH21  ARG   9          HH11      ARG   9   0.775 -12.173   0.125
   86   HH22  ARG   9          HH12      ARG   9  -0.669 -11.402  -0.440
   87    H    GLY  10           HN       GLY  10   1.534  -7.340   7.616
   88    HA2  GLY  10           HA2      GLY  10   0.017  -7.144   9.728
   89    HA3  GLY  10           HA1      GLY  10   1.101  -8.396  10.328
   90    H    ILE  11           HN       ILE  11   3.504  -7.517   9.189
   91    HA   ILE  11           HA       ILE  11   3.968  -5.035  10.745
   92    HB   ILE  11           HB       ILE  11   5.898  -7.241   9.990
   93   HG12  ILE  11          HG12      ILE  11   4.812  -6.456  12.710
   94   HG13  ILE  11          HG11      ILE  11   4.152  -7.776  11.746
   95   HG21  ILE  11          HG21      ILE  11   6.202  -4.683  11.585
   96   HG22  ILE  11          HG22      ILE  11   7.068  -5.137  10.120
   97   HG23  ILE  11          HG23      ILE  11   7.376  -5.997  11.625
   98   HD11  ILE  11          HD11      ILE  11   7.000  -7.544  12.759
   99   HD12  ILE  11          HD12      ILE  11   6.413  -8.826  11.699
  100   HD13  ILE  11          HD13      ILE  11   5.773  -8.674  13.335
  101    H    CYS  12           HN       CYS  12   4.416  -3.262   9.635
  102    HA   CYS  12           HA       CYS  12   5.671  -3.525   6.960
  103    HB2  CYS  12           HB2      CYS  12   3.434  -1.667   7.797
  104    HB3  CYS  12           HB1      CYS  12   4.325  -1.534   6.281
  105    H    TYR  13           HN       TYR  13   7.406  -2.279   6.617
  106    HA   TYR  13           HA       TYR  13   7.836   0.190   8.056
  107    HB2  TYR  13           HB2      TYR  13   9.889  -0.480   9.172
  108    HB3  TYR  13           HB1      TYR  13   8.567  -1.512   9.716
  109    HD1  TYR  13           HD2      TYR  13   8.266  -3.793   8.630
  110    HD2  TYR  13           HD1      TYR  13  11.790  -1.400   8.087
  111    HE1  TYR  13           HE2      TYR  13   9.507  -5.797   7.866
  112    HE2  TYR  13           HE1      TYR  13  13.032  -3.405   7.319
  113    HH   TYR  13           HH       TYR  13  12.681  -5.564   6.456
  114    H    ARG  14           HN       ARG  14   9.984   1.162   7.436
  115    HA   ARG  14           HA       ARG  14  10.968   0.181   4.830
  116    HB2  ARG  14           HB2      ARG  14  10.929   2.488   3.955
  117    HB3  ARG  14           HB1      ARG  14   9.307   1.910   4.335
  118    HG2  ARG  14           HG2      ARG  14   9.394   3.078   6.506
  119    HG3  ARG  14           HG1      ARG  14  11.014   3.664   6.129
  120    HD2  ARG  14           HD2      ARG  14  10.121   4.830   4.139
  121    HD3  ARG  14           HD1      ARG  14   8.503   4.270   4.544
  122    HE   ARG  14           HE       ARG  14  10.001   6.381   5.884
  123   HH11  ARG  14          HH21      ARG  14   7.368   4.136   5.943
  124   HH12  ARG  14          HH22      ARG  14   6.455   5.024   7.117
  125   HH21  ARG  14          HH11      ARG  14   8.808   7.552   7.423
  126   HH22  ARG  14          HH12      ARG  14   7.271   6.960   7.953
  127    H    ARG  15           HN       ARG  15  13.074   0.949   4.267
  128    HA   ARG  15           HA       ARG  15  14.601   2.208   6.461
  129    HB2  ARG  15           HB2      ARG  15  14.877  -0.259   6.612
  130    HB3  ARG  15           HB1      ARG  15  15.494  -0.265   4.960
  131    HG2  ARG  15           HG2      ARG  15  17.304   1.295   5.655
  132    HG3  ARG  15           HG1      ARG  15  16.705   1.220   7.311
  133    HD2  ARG  15           HD2      ARG  15  17.639  -1.169   5.697
  134    HD3  ARG  15           HD1      ARG  15  18.608  -0.337   6.910
  135    HE   ARG  15           HE       ARG  15  16.374  -2.135   7.404
  136   HH11  ARG  15          HH21      ARG  15  18.460   0.359   8.587
  137   HH12  ARG  15          HH22      ARG  15  18.205  -0.029  10.256
  138   HH21  ARG  15          HH11      ARG  15  16.034  -2.649   9.590
  139   HH22  ARG  15          HH12      ARG  15  16.832  -1.733  10.824
  140    H    CYS  16           HN       CYS  16  15.549   3.955   5.668
  141    HA   CYS  16           HA       CYS  16  16.381   3.963   2.821
  142    HB2  CYS  16           HB2      CYS  16  15.987   6.456   4.450
  143    HB3  CYS  16           HB1      CYS  16  15.890   6.235   2.704
  144    H    ARG  17           HN       ARG  17  18.416   4.701   2.282
  145    HA   ARG  17           HA       ARG  17  20.233   5.846   4.161
  146    HB2  ARG  17           HB2      ARG  17  21.806   3.940   4.295
  147    HB3  ARG  17           HB1      ARG  17  20.264   3.581   5.073
  148    HG2  ARG  17           HG2      ARG  17  19.507   2.400   3.047
  149    HG3  ARG  17           HG1      ARG  17  21.044   2.757   2.259
  150    HD2  ARG  17           HD2      ARG  17  20.821   1.229   4.861
  151    HD3  ARG  17           HD1      ARG  17  20.906   0.453   3.283
  152    HE   ARG  17           HE       ARG  17  23.063   2.234   3.470
  153   HH11  ARG  17          HH21      ARG  17  21.848  -0.639   4.969
  154   HH12  ARG  17          HH22      ARG  17  23.413  -1.242   5.396
  155   HH21  ARG  17          HH11      ARG  17  25.119   1.448   4.028
  156   HH22  ARG  17          HH12      ARG  17  25.266  -0.061   4.864
  157    HN1  NH2  18           HN1      NH2  18  19.378   6.376   1.411
  158    HN2  NH2  18           HN2      NH2  18  20.766   6.268   0.439
  Start of MODEL    6
    1    H1   LYS   1           HT1      LYS   1  19.845   8.598  -3.632
    2    H2   LYS   1           HT2      LYS   1  20.216   9.502  -2.243
    3    H3   LYS   1           HT3      LYS   1  18.614   9.417  -2.800
    4    HA   LYS   1           HA       LYS   1  19.981   6.917  -2.124
    5    HB2  LYS   1           HB2      LYS   1  19.242   7.202   0.244
    6    HB3  LYS   1           HB1      LYS   1  20.501   8.350  -0.214
    7    HG2  LYS   1           HG2      LYS   1  18.768  10.064  -0.650
    8    HG3  LYS   1           HG1      LYS   1  17.523   8.921  -0.146
    9    HD2  LYS   1           HD2      LYS   1  18.566   8.766   2.087
   10    HD3  LYS   1           HD1      LYS   1  19.802   9.921   1.585
   11    HE2  LYS   1           HE2      LYS   1  18.063  11.621   1.186
   12    HE3  LYS   1           HE1      LYS   1  16.820  10.468   1.672
   13    HZ1  LYS   1           HZ1      LYS   1  18.061  10.287   3.830
   14    HZ2  LYS   1           HZ2      LYS   1  17.290  11.775   3.554
   15    HZ3  LYS   1           HZ3      LYS   1  18.969  11.633   3.343
   16    H    TRP   2           HN       TRP   2  18.499   5.279  -2.030
   17    HA   TRP   2           HA       TRP   2  15.664   6.020  -2.490
   18    HB2  TRP   2           HB2      TRP   2  16.988   3.449  -3.348
   19    HB3  TRP   2           HB1      TRP   2  15.423   4.087  -3.849
   20    HD1  TRP   2           HD1      TRP   2  15.742   6.752  -4.958
   21    HE1  TRP   2           HE1      TRP   2  17.394   7.394  -6.832
   22    HE3  TRP   2           HE3      TRP   2  19.073   2.902  -4.556
   23    HZ2  TRP   2           HZ2      TRP   2  19.807   6.407  -8.005
   24    HZ3  TRP   2           HZ3      TRP   2  21.038   2.777  -6.064
   25    HH2  TRP   2           HH2      TRP   2  21.409   4.523  -7.786
   26    H    CYS   3           HN       CYS   3  14.067   4.875  -1.409
   27    HA   CYS   3           HA       CYS   3  15.010   3.138   0.808
   28    HB2  CYS   3           HB2      CYS   3  14.119   5.449   1.434
   29    HB3  CYS   3           HB1      CYS   3  12.542   4.866   0.903
   30    H    PHE   4           HN       PHE   4  13.659   1.410   1.407
   31    HA   PHE   4           HA       PHE   4  11.452   0.758  -0.444
   32    HB2  PHE   4           HB2      PHE   4  13.721  -1.101   0.308
   33    HB3  PHE   4           HB1      PHE   4  12.279  -1.567  -0.595
   34    HD1  PHE   4           HD2      PHE   4  11.817  -0.520  -2.835
   35    HD2  PHE   4           HD1      PHE   4  15.530   0.052  -0.749
   36    HE1  PHE   4           HE2      PHE   4  12.879   0.257  -4.937
   37    HE2  PHE   4           HE1      PHE   4  16.590   0.830  -2.851
   38    HZ   PHE   4           HZ       PHE   4  15.266   0.931  -4.946
   39    H    ARG   5           HN       ARG   5   9.854  -0.582   0.424
   40    HA   ARG   5           HA       ARG   5  10.110  -1.379   3.245
   41    HB2  ARG   5           HB2      ARG   5   7.854  -0.397   3.711
   42    HB3  ARG   5           HB1      ARG   5   9.106   0.809   3.413
   43    HG2  ARG   5           HG2      ARG   5   8.361   1.034   1.083
   44    HG3  ARG   5           HG1      ARG   5   7.132  -0.202   1.346
   45    HD2  ARG   5           HD2      ARG   5   6.139   2.038   1.525
   46    HD3  ARG   5           HD1      ARG   5   6.082   1.209   3.079
   47    HE   ARG   5           HE       ARG   5   7.634   2.748   3.918
   48   HH11  ARG   5          HH21      ARG   5   7.248   3.023   0.492
   49   HH12  ARG   5          HH22      ARG   5   8.116   4.516   0.374
   50   HH21  ARG   5          HH11      ARG   5   8.774   4.706   3.773
   51   HH22  ARG   5          HH12      ARG   5   8.981   5.470   2.233
   52    H    VAL   6           HN       VAL   6   8.861  -3.135   3.805
   53    HA   VAL   6           HA       VAL   6   7.000  -4.232   1.811
   54    HB   VAL   6           HB       VAL   6   9.084  -5.311   1.239
   55   HG11  VAL   6          HG11      VAL   6  10.287  -4.835   3.339
   56   HG12  VAL   6          HG12      VAL   6  10.383  -6.551   2.936
   57   HG13  VAL   6          HG13      VAL   6   9.269  -5.998   4.188
   58   HG21  VAL   6          HG21      VAL   6   8.422  -7.588   1.494
   59   HG22  VAL   6          HG22      VAL   6   6.916  -6.670   1.508
   60   HG23  VAL   6          HG23      VAL   6   7.606  -7.258   3.021
   61    H    CYS   7           HN       CYS   7   5.343  -5.398   2.686
   62    HA   CYS   7           HA       CYS   7   5.274  -5.556   5.646
   63    HB2  CYS   7           HB2      CYS   7   2.793  -5.692   3.973
   64    HB3  CYS   7           HB1      CYS   7   3.019  -5.054   5.602
   65    H    TYR   8           HN       TYR   8   5.488  -7.532   6.434
   66    HA   TYR   8           HA       TYR   8   4.773  -9.844   4.746
   67    HB2  TYR   8           HB2      TYR   8   6.483  -9.654   7.236
   68    HB3  TYR   8           HB1      TYR   8   6.141 -11.141   6.353
   69    HD1  TYR   8           HD2      TYR   8   6.611 -11.037   3.748
   70    HD2  TYR   8           HD1      TYR   8   8.390  -8.427   6.659
   71    HE1  TYR   8           HE2      TYR   8   8.457 -10.533   2.168
   72    HE2  TYR   8           HE1      TYR   8  10.236  -7.926   5.083
   73    HH   TYR   8           HH       TYR   8  11.312  -8.897   3.144
   74    H    ARG   9           HN       ARG   9   4.888  -9.469   8.276
   75    HA   ARG   9           HA       ARG   9   2.482 -11.032   8.567
   76    HB2  ARG   9           HB2      ARG   9   4.442  -9.734  10.440
   77    HB3  ARG   9           HB1      ARG   9   2.883 -10.275  11.062
   78    HG2  ARG   9           HG2      ARG   9   4.539 -12.061  11.311
   79    HG3  ARG   9           HG1      ARG   9   3.312 -12.537  10.136
   80    HD2  ARG   9           HD2      ARG   9   5.825 -11.163   9.209
   81    HD3  ARG   9           HD1      ARG   9   5.838 -12.889   9.547
   82    HE   ARG   9           HE       ARG   9   4.657 -11.618   7.273
   83   HH11  ARG   9          HH21      ARG   9   4.327 -14.220   9.529
   84   HH12  ARG   9          HH22      ARG   9   3.450 -15.239   8.438
   85   HH21  ARG   9          HH11      ARG   9   3.505 -12.946   5.837
   86   HH22  ARG   9          HH12      ARG   9   2.983 -14.518   6.347
   87    H    GLY  10           HN       GLY  10   2.495  -8.278   7.266
   88    HA2  GLY  10           HA2      GLY  10   0.561  -6.902   7.057
   89    HA3  GLY  10           HA1      GLY  10   0.148  -7.261   8.730
   90    H    ILE  11           HN       ILE  11   3.335  -6.771   8.915
   91    HA   ILE  11           HA       ILE  11   3.005  -3.890   9.521
   92    HB   ILE  11           HB       ILE  11   5.054  -5.865  10.556
   93   HG12  ILE  11          HG12      ILE  11   2.743  -4.558  12.016
   94   HG13  ILE  11          HG11      ILE  11   2.647  -6.175  11.319
   95   HG21  ILE  11          HG21      ILE  11   6.026  -3.689  10.592
   96   HG22  ILE  11          HG22      ILE  11   5.396  -3.939  12.221
   97   HG23  ILE  11          HG23      ILE  11   4.505  -2.936  11.076
   98   HD11  ILE  11          HD11      ILE  11   3.299  -6.061  13.789
   99   HD12  ILE  11          HD12      ILE  11   4.832  -5.377  13.249
  100   HD13  ILE  11          HD13      ILE  11   4.368  -7.003  12.749
  101    H    CYS  12           HN       CYS  12   3.959  -2.487   8.218
  102    HA   CYS  12           HA       CYS  12   5.944  -3.428   6.275
  103    HB2  CYS  12           HB2      CYS  12   4.792  -0.649   6.471
  104    HB3  CYS  12           HB1      CYS  12   5.502  -1.446   5.067
  105    H    TYR  13           HN       TYR  13   8.062  -3.065   6.476
  106    HA   TYR  13           HA       TYR  13   8.958  -1.198   8.599
  107    HB2  TYR  13           HB2      TYR  13  10.416  -3.526   7.334
  108    HB3  TYR  13           HB1      TYR  13  11.036  -2.497   8.621
  109    HD1  TYR  13           HD2      TYR  13  10.025  -2.546  10.877
  110    HD2  TYR  13           HD1      TYR  13   8.719  -5.203   7.765
  111    HE1  TYR  13           HE2      TYR  13   8.878  -3.957  12.563
  112    HE2  TYR  13           HE1      TYR  13   7.570  -6.614   9.452
  113    HH   TYR  13           HH       TYR  13   7.584  -5.725  12.905
  114    H    ARG  14           HN       ARG  14  10.107   0.533   8.060
  115    HA   ARG  14           HA       ARG  14  10.678   1.033   5.239
  116    HB2  ARG  14           HB2      ARG  14  10.839   2.826   7.673
  117    HB3  ARG  14           HB1      ARG  14  11.167   3.342   6.017
  118    HG2  ARG  14           HG2      ARG  14   8.878   2.692   5.360
  119    HG3  ARG  14           HG1      ARG  14   8.547   2.182   7.016
  120    HD2  ARG  14           HD2      ARG  14   9.382   4.988   6.243
  121    HD3  ARG  14           HD1      ARG  14   7.712   4.489   6.489
  122    HE   ARG  14           HE       ARG  14   9.202   3.770   8.769
  123   HH11  ARG  14          HH21      ARG  14   8.088   6.553   7.043
  124   HH12  ARG  14          HH22      ARG  14   7.988   7.558   8.450
  125   HH21  ARG  14          HH11      ARG  14   9.076   5.082  10.618
  126   HH22  ARG  14          HH12      ARG  14   8.548   6.725  10.475
  127    H    ARG  15           HN       ARG  15  12.690   1.261   4.387
  128    HA   ARG  15           HA       ARG  15  15.019   1.108   6.197
  129    HB2  ARG  15           HB2      ARG  15  14.463  -0.697   3.835
  130    HB3  ARG  15           HB1      ARG  15  16.053  -0.524   4.579
  131    HG2  ARG  15           HG2      ARG  15  15.127  -1.239   6.748
  132    HG3  ARG  15           HG1      ARG  15  13.531  -1.403   6.015
  133    HD2  ARG  15           HD2      ARG  15  14.399  -3.113   4.474
  134    HD3  ARG  15           HD1      ARG  15  16.004  -2.938   5.174
  135    HE   ARG  15           HE       ARG  15  15.279  -4.121   7.066
  136   HH11  ARG  15          HH21      ARG  15  12.681  -3.352   4.911
  137   HH12  ARG  15          HH22      ARG  15  11.545  -4.405   5.683
  138   HH21  ARG  15          HH11      ARG  15  13.792  -5.505   8.084
  139   HH22  ARG  15          HH12      ARG  15  12.173  -5.624   7.480
  140    H    CYS  16           HN       CYS  16  15.340   3.329   5.725
  141    HA   CYS  16           HA       CYS  16  16.092   3.938   2.925
  142    HB2  CYS  16           HB2      CYS  16  15.679   6.004   5.071
  143    HB3  CYS  16           HB1      CYS  16  15.545   6.173   3.321
  144    H    ARG  17           HN       ARG  17  18.036   5.012   2.493
  145    HA   ARG  17           HA       ARG  17  19.925   5.593   4.591
  146    HB2  ARG  17           HB2      ARG  17  20.121   3.122   4.419
  147    HB3  ARG  17           HB1      ARG  17  20.533   3.300   2.714
  148    HG2  ARG  17           HG2      ARG  17  22.503   4.631   3.296
  149    HG3  ARG  17           HG1      ARG  17  22.078   4.548   5.004
  150    HD2  ARG  17           HD2      ARG  17  22.219   2.034   4.830
  151    HD3  ARG  17           HD1      ARG  17  22.859   2.243   3.202
  152    HE   ARG  17           HE       ARG  17  24.397   3.811   4.961
  153   HH11  ARG  17          HH21      ARG  17  23.650   0.507   4.261
  154   HH12  ARG  17          HH22      ARG  17  25.180  -0.099   4.799
  155   HH21  ARG  17          HH11      ARG  17  26.407   3.026   5.671
  156   HH22  ARG  17          HH12      ARG  17  26.741   1.328   5.597
  157    HN1  NH2  18           HN1      NH2  18  20.926   4.467   1.387
  158    HN2  NH2  18           HN2      NH2  18  21.310   6.005   0.785
  Start of MODEL    7
    1    H1   LYS   1           HT1      LYS   1  20.208   9.135  -2.368
    2    H2   LYS   1           HT2      LYS   1  18.920   8.484  -3.262
    3    H3   LYS   1           HT3      LYS   1  20.287   7.535  -2.921
    4    HA   LYS   1           HA       LYS   1  19.646   7.061  -0.831
    5    HB2  LYS   1           HB2      LYS   1  18.327   9.790  -0.845
    6    HB3  LYS   1           HB1      LYS   1  18.286   8.682   0.526
    7    HG2  LYS   1           HG2      LYS   1  20.752   8.693   0.615
    8    HG3  LYS   1           HG1      LYS   1  20.796   9.804  -0.755
    9    HD2  LYS   1           HD2      LYS   1  19.563  11.486   0.540
   10    HD3  LYS   1           HD1      LYS   1  19.459  10.374   1.906
   11    HE2  LYS   1           HE2      LYS   1  21.307  11.943   2.258
   12    HE3  LYS   1           HE1      LYS   1  21.942  10.315   2.017
   13    HZ1  LYS   1           HZ1      LYS   1  22.793  10.840   0.001
   14    HZ2  LYS   1           HZ2      LYS   1  22.861  12.389   0.693
   15    HZ3  LYS   1           HZ3      LYS   1  21.588  11.979  -0.354
   16    H    TRP   2           HN       TRP   2  18.457   5.370  -1.694
   17    HA   TRP   2           HA       TRP   2  15.605   5.891  -2.308
   18    HB2  TRP   2           HB2      TRP   2  17.208   3.424  -2.997
   19    HB3  TRP   2           HB1      TRP   2  15.615   3.880  -3.601
   20    HD1  TRP   2           HD1      TRP   2  15.729   6.546  -4.761
   21    HE1  TRP   2           HE1      TRP   2  17.403   7.297  -6.574
   22    HE3  TRP   2           HE3      TRP   2  19.376   3.046  -4.088
   23    HZ2  TRP   2           HZ2      TRP   2  19.956   6.511  -7.602
   24    HZ3  TRP   2           HZ3      TRP   2  21.420   3.066  -5.492
   25    HH2  TRP   2           HH2      TRP   2  21.713   4.793  -7.247
   26    H    CYS   3           HN       CYS   3  14.033   4.816  -1.228
   27    HA   CYS   3           HA       CYS   3  14.873   3.075   1.026
   28    HB2  CYS   3           HB2      CYS   3  13.833   5.459   1.456
   29    HB3  CYS   3           HB1      CYS   3  12.312   4.644   1.097
   30    H    PHE   4           HN       PHE   4  13.253   1.493   1.685
   31    HA   PHE   4           HA       PHE   4  11.462   0.624  -0.516
   32    HB2  PHE   4           HB2      PHE   4  13.259  -1.120   1.191
   33    HB3  PHE   4           HB1      PHE   4  12.085  -1.705   0.012
   34    HD1  PHE   4           HD2      PHE   4  12.353  -1.079  -2.420
   35    HD2  PHE   4           HD1      PHE   4  15.400  -0.328   0.512
   36    HE1  PHE   4           HE2      PHE   4  14.023  -0.785  -4.230
   37    HE2  PHE   4           HE1      PHE   4  17.070  -0.034  -1.297
   38    HZ   PHE   4           HZ       PHE   4  16.381  -0.262  -3.669
   39    H    ARG   5           HN       ARG   5   9.564  -0.415   0.138
   40    HA   ARG   5           HA       ARG   5   8.999  -0.530   3.035
   41    HB2  ARG   5           HB2      ARG   5   8.208   1.666   2.189
   42    HB3  ARG   5           HB1      ARG   5   7.206   0.823   1.007
   43    HG2  ARG   5           HG2      ARG   5   5.956  -0.277   2.784
   44    HG3  ARG   5           HG1      ARG   5   7.010   0.435   4.007
   45    HD2  ARG   5           HD2      ARG   5   4.951   1.740   3.863
   46    HD3  ARG   5           HD1      ARG   5   6.298   2.699   3.255
   47    HE   ARG   5           HE       ARG   5   5.387   2.561   1.099
   48   HH11  ARG   5          HH21      ARG   5   3.735   0.506   3.348
   49   HH12  ARG   5          HH22      ARG   5   2.412   0.176   2.280
   50   HH21  ARG   5          HH11      ARG   5   3.657   2.125  -0.302
   51   HH22  ARG   5          HH12      ARG   5   2.367   1.092   0.216
   52    H    VAL   6           HN       VAL   6   9.006  -2.774   2.912
   53    HA   VAL   6           HA       VAL   6   6.736  -3.975   1.416
   54    HB   VAL   6           HB       VAL   6   9.501  -5.094   1.932
   55   HG11  VAL   6          HG11      VAL   6   8.542  -7.093   0.644
   56   HG12  VAL   6          HG12      VAL   6   6.951  -6.426   1.001
   57   HG13  VAL   6          HG13      VAL   6   8.015  -6.920   2.317
   58   HG21  VAL   6          HG21      VAL   6   7.966  -4.719  -0.653
   59   HG22  VAL   6          HG22      VAL   6   9.660  -5.170  -0.477
   60   HG23  VAL   6          HG23      VAL   6   9.130  -3.548  -0.033
   61    H    CYS   7           HN       CYS   7   5.328  -5.080   2.625
   62    HA   CYS   7           HA       CYS   7   5.780  -5.245   5.507
   63    HB2  CYS   7           HB2      CYS   7   3.314  -6.162   4.035
   64    HB3  CYS   7           HB1      CYS   7   3.455  -5.568   5.692
   65    H    TYR   8           HN       TYR   8   6.213  -7.089   6.602
   66    HA   TYR   8           HA       TYR   8   6.557  -9.567   5.053
   67    HB2  TYR   8           HB2      TYR   8   7.456  -8.743   7.824
   68    HB3  TYR   8           HB1      TYR   8   7.720 -10.346   7.138
   69    HD1  TYR   8           HD1      TYR   8   8.602  -6.772   6.916
   70    HD2  TYR   8           HD2      TYR   8   9.280 -10.694   5.302
   71    HE1  TYR   8           HE1      TYR   8  10.611  -5.935   5.725
   72    HE2  TYR   8           HE2      TYR   8  11.287  -9.858   4.111
   73    HH   TYR   8           HH       TYR   8  12.478  -6.567   4.607
   74    H    ARG   9           HN       ARG   9   5.687  -9.143   8.459
   75    HA   ARG   9           HA       ARG   9   3.528 -11.122   8.122
   76    HB2  ARG   9           HB2      ARG   9   4.969 -10.116  10.586
   77    HB3  ARG   9           HB1      ARG   9   3.635 -11.272  10.609
   78    HG2  ARG   9           HG2      ARG   9   4.918 -12.829   9.226
   79    HG3  ARG   9           HG1      ARG   9   6.239 -11.666   9.107
   80    HD2  ARG   9           HD2      ARG   9   6.774 -13.301  10.830
   81    HD3  ARG   9           HD1      ARG   9   6.478 -11.737  11.584
   82    HE   ARG   9           HE       ARG   9   4.523 -12.602  12.543
   83   HH11  ARG   9          HH21      ARG   9   5.906 -14.769  10.223
   84   HH12  ARG   9          HH22      ARG   9   4.903 -16.109  10.674
   85   HH21  ARG   9          HH11      ARG   9   3.205 -14.355  13.136
   86   HH22  ARG   9          HH12      ARG   9   3.375 -15.874  12.322
   87    H    GLY  10           HN       GLY  10   2.966  -8.613   7.126
   88    HA2  GLY  10           HA2      GLY  10   1.033  -7.302   7.151
   89    HA3  GLY  10           HA1      GLY  10   0.691  -7.866   8.785
   90    H    ILE  11           HN       ILE  11   3.861  -7.021   8.781
   91    HA   ILE  11           HA       ILE  11   3.288  -4.348   9.914
   92    HB   ILE  11           HB       ILE  11   5.747  -6.098  10.185
   93   HG12  ILE  11          HG12      ILE  11   3.603  -5.509  12.243
   94   HG13  ILE  11          HG11      ILE  11   3.598  -6.961  11.240
   95   HG21  ILE  11          HG21      ILE  11   6.349  -3.798  10.498
   96   HG22  ILE  11          HG22      ILE  11   6.164  -4.484  12.111
   97   HG23  ILE  11          HG23      ILE  11   4.887  -3.477  11.431
   98   HD11  ILE  11          HD11      ILE  11   4.684  -7.266  13.502
   99   HD12  ILE  11          HD12      ILE  11   5.940  -6.141  12.980
  100   HD13  ILE  11          HD13      ILE  11   5.722  -7.675  12.136
  101    H    CYS  12           HN       CYS  12   3.621  -2.711   8.569
  102    HA   CYS  12           HA       CYS  12   5.627  -2.962   6.409
  103    HB2  CYS  12           HB2      CYS  12   3.515  -0.824   6.735
  104    HB3  CYS  12           HB1      CYS  12   4.432  -1.229   5.283
  105    H    TYR  13           HN       TYR  13   7.405  -1.722   6.372
  106    HA   TYR  13           HA       TYR  13   7.580   0.709   7.976
  107    HB2  TYR  13           HB2      TYR  13   8.232  -1.098   9.548
  108    HB3  TYR  13           HB1      TYR  13   9.489  -1.602   8.419
  109    HD1  TYR  13           HD1      TYR  13   8.260   1.388  10.302
  110    HD2  TYR  13           HD2      TYR  13  11.623  -0.600   8.513
  111    HE1  TYR  13           HE1      TYR  13   9.778   3.106  11.245
  112    HE2  TYR  13           HE2      TYR  13  13.141   1.121   9.456
  113    HH   TYR  13           HH       TYR  13  11.910   3.681  11.594
  114    H    ARG  14           HN       ARG  14   9.257   2.079   7.326
  115    HA   ARG  14           HA       ARG  14  10.262   1.557   4.627
  116    HB2  ARG  14           HB2      ARG  14  10.329   4.005   6.408
  117    HB3  ARG  14           HB1      ARG  14  11.032   3.940   4.792
  118    HG2  ARG  14           HG2      ARG  14   8.838   3.392   3.835
  119    HG3  ARG  14           HG1      ARG  14   8.121   3.390   5.447
  120    HD2  ARG  14           HD2      ARG  14   8.712   5.761   5.727
  121    HD3  ARG  14           HD1      ARG  14   9.457   5.772   4.131
  122    HE   ARG  14           HE       ARG  14   6.813   4.884   3.831
  123   HH11  ARG  14          HH21      ARG  14   8.580   7.687   4.823
  124   HH12  ARG  14          HH22      ARG  14   7.365   8.807   4.303
  125   HH21  ARG  14          HH11      ARG  14   5.217   6.343   3.145
  126   HH22  ARG  14          HH12      ARG  14   5.459   8.045   3.352
  127    H    ARG  15           HN       ARG  15  12.321   1.052   4.160
  128    HA   ARG  15           HA       ARG  15  14.343   1.166   6.338
  129    HB2  ARG  15           HB2      ARG  15  13.991  -0.891   4.147
  130    HB3  ARG  15           HB1      ARG  15  15.378  -0.814   5.234
  131    HG2  ARG  15           HG2      ARG  15  13.912  -1.114   7.172
  132    HG3  ARG  15           HG1      ARG  15  12.496  -1.120   6.122
  133    HD2  ARG  15           HD2      ARG  15  13.079  -3.419   6.637
  134    HD3  ARG  15           HD1      ARG  15  13.443  -3.114   4.942
  135    HE   ARG  15           HE       ARG  15  15.736  -2.599   6.543
  136   HH11  ARG  15          HH21      ARG  15  13.744  -5.134   5.290
  137   HH12  ARG  15          HH22      ARG  15  15.012  -6.314   5.275
  138   HH21  ARG  15          HH11      ARG  15  17.404  -4.140   6.533
  139   HH22  ARG  15          HH12      ARG  15  17.086  -5.751   5.981
  140    H    CYS  16           HN       CYS  16  15.086   3.209   5.667
  141    HA   CYS  16           HA       CYS  16  16.193   3.422   2.943
  142    HB2  CYS  16           HB2      CYS  16  16.289   5.662   4.944
  143    HB3  CYS  16           HB1      CYS  16  16.094   5.731   3.192
  144    H    ARG  17           HN       ARG  17  18.325   3.421   2.541
  145    HA   ARG  17           HA       ARG  17  20.329   4.074   4.462
  146    HB2  ARG  17           HB2      ARG  17  19.538   1.782   5.244
  147    HB3  ARG  17           HB1      ARG  17  20.206   1.144   3.740
  148    HG2  ARG  17           HG2      ARG  17  22.414   2.071   4.318
  149    HG3  ARG  17           HG1      ARG  17  21.752   2.721   5.818
  150    HD2  ARG  17           HD2      ARG  17  22.863   0.610   6.298
  151    HD3  ARG  17           HD1      ARG  17  21.125   0.404   6.499
  152    HE   ARG  17           HE       ARG  17  21.889  -0.269   3.843
  153   HH11  ARG  17          HH21      ARG  17  22.041  -1.351   7.125
  154   HH12  ARG  17          HH22      ARG  17  22.107  -3.032   6.714
  155   HH21  ARG  17          HH11      ARG  17  21.975  -2.470   3.294
  156   HH22  ARG  17          HH12      ARG  17  22.072  -3.665   4.543
  157    HN1  NH2  18           HN1      NH2  18  20.436   5.283   2.199
  158    HN2  NH2  18           HN2      NH2  18  21.464   4.568   1.051
  Start of MODEL    8
    1    H1   LYS   1           HT1      LYS   1  18.986  10.126  -3.149
    2    H2   LYS   1           HT2      LYS   1  18.638   8.886  -4.259
    3    H3   LYS   1           HT3      LYS   1  20.212   9.065  -3.645
    4    HA   LYS   1           HA       LYS   1  19.641   7.490  -2.190
    5    HB2  LYS   1           HB2      LYS   1  18.068   9.865  -1.149
    6    HB3  LYS   1           HB1      LYS   1  18.378   8.401  -0.216
    7    HG2  LYS   1           HG2      LYS   1  20.779   8.747  -0.363
    8    HG3  LYS   1           HG1      LYS   1  20.550  10.120  -1.443
    9    HD2  LYS   1           HD2      LYS   1  20.911  11.092   0.691
   10    HD3  LYS   1           HD1      LYS   1  19.168  11.180   0.445
   11    HE2  LYS   1           HE2      LYS   1  18.783   9.296   1.881
   12    HE3  LYS   1           HE1      LYS   1  20.501   8.900   1.933
   13    HZ1  LYS   1           HZ1      LYS   1  19.391  11.465   2.917
   14    HZ2  LYS   1           HZ2      LYS   1  20.955  10.847   3.165
   15    HZ3  LYS   1           HZ3      LYS   1  19.620  10.112   3.914
   16    H    TRP   2           HN       TRP   2  18.339   5.752  -2.156
   17    HA   TRP   2           HA       TRP   2  15.486   6.086  -2.924
   18    HB2  TRP   2           HB2      TRP   2  17.426   3.893  -3.693
   19    HB3  TRP   2           HB1      TRP   2  15.684   3.815  -3.960
   20    HD1  TRP   2           HD1      TRP   2  14.808   6.357  -5.154
   21    HE1  TRP   2           HE1      TRP   2  15.781   7.362  -7.321
   22    HE3  TRP   2           HE3      TRP   2  19.306   3.947  -5.297
   23    HZ2  TRP   2           HZ2      TRP   2  18.158   7.169  -8.903
   24    HZ3  TRP   2           HZ3      TRP   2  20.904   4.375  -7.141
   25    HH2  TRP   2           HH2      TRP   2  20.336   5.982  -8.944
   26    H    CYS   3           HN       CYS   3  14.028   5.188  -1.603
   27    HA   CYS   3           HA       CYS   3  15.022   3.608   0.699
   28    HB2  CYS   3           HB2      CYS   3  12.435   5.156   0.419
   29    HB3  CYS   3           HB1      CYS   3  13.037   4.366   1.874
   30    H    PHE   4           HN       PHE   4  13.742   1.831   1.440
   31    HA   PHE   4           HA       PHE   4  11.862   0.697  -0.547
   32    HB2  PHE   4           HB2      PHE   4  14.184  -0.730   0.766
   33    HB3  PHE   4           HB1      PHE   4  12.893  -1.539  -0.122
   34    HD1  PHE   4           HD2      PHE   4  12.528  -1.012  -2.554
   35    HD2  PHE   4           HD1      PHE   4  15.945   0.418  -0.377
   36    HE1  PHE   4           HE2      PHE   4  13.684  -0.519  -4.692
   37    HE2  PHE   4           HE1      PHE   4  17.099   0.912  -2.516
   38    HZ   PHE   4           HZ       PHE   4  15.970   0.443  -4.673
   39    H    ARG   5           HN       ARG   5  10.344  -0.788   0.306
   40    HA   ARG   5           HA       ARG   5  10.119  -0.895   3.252
   41    HB2  ARG   5           HB2      ARG   5   7.729  -0.362   3.100
   42    HB3  ARG   5           HB1      ARG   5   8.698   0.962   2.458
   43    HG2  ARG   5           HG2      ARG   5   8.317   0.132   0.161
   44    HG3  ARG   5           HG1      ARG   5   7.332  -1.185   0.799
   45    HD2  ARG   5           HD2      ARG   5   5.848   0.582   0.079
   46    HD3  ARG   5           HD1      ARG   5   5.823   0.516   1.839
   47    HE   ARG   5           HE       ARG   5   7.793   2.369   0.982
   48   HH11  ARG   5          HH21      ARG   5   4.373   1.877   1.162
   49   HH12  ARG   5          HH22      ARG   5   3.996   3.564   1.282
   50   HH21  ARG   5          HH11      ARG   5   7.308   4.584   1.136
   51   HH22  ARG   5          HH12      ARG   5   5.658   5.096   1.268
   52    H    VAL   6           HN       VAL   6   9.090  -2.720   4.053
   53    HA   VAL   6           HA       VAL   6   8.079  -4.719   2.141
   54    HB   VAL   6           HB       VAL   6  10.493  -5.200   2.485
   55   HG11  VAL   6          HG11      VAL   6   9.724  -5.730   5.364
   56   HG12  VAL   6          HG12      VAL   6  10.495  -4.232   4.840
   57   HG13  VAL   6          HG13      VAL   6  11.339  -5.771   4.655
   58   HG21  VAL   6          HG21      VAL   6   8.678  -7.199   3.866
   59   HG22  VAL   6          HG22      VAL   6  10.190  -7.548   3.030
   60   HG23  VAL   6          HG23      VAL   6   8.782  -7.006   2.118
   61    H    CYS   7           HN       CYS   7   6.448  -5.948   2.939
   62    HA   CYS   7           HA       CYS   7   5.874  -5.857   5.832
   63    HB2  CYS   7           HB2      CYS   7   4.546  -4.142   4.312
   64    HB3  CYS   7           HB1      CYS   7   3.587  -5.567   3.914
   65    H    TYR   8           HN       TYR   8   5.563  -7.839   6.583
   66    HA   TYR   8           HA       TYR   8   4.994 -10.033   4.705
   67    HB2  TYR   8           HB2      TYR   8   5.969 -10.002   7.568
   68    HB3  TYR   8           HB1      TYR   8   5.614 -11.473   6.660
   69    HD1  TYR   8           HD2      TYR   8   6.907 -11.994   4.571
   70    HD2  TYR   8           HD1      TYR   8   7.977  -8.752   7.179
   71    HE1  TYR   8           HE2      TYR   8   9.153 -11.891   3.524
   72    HE2  TYR   8           HE1      TYR   8  10.221  -8.650   6.130
   73    HH   TYR   8           HH       TYR   8  11.244  -9.296   3.912
   74    H    ARG   9           HN       ARG   9   4.119  -9.628   8.126
   75    HA   ARG   9           HA       ARG   9   1.348 -10.445   7.454
   76    HB2  ARG   9           HB2      ARG   9   2.934 -10.735  10.015
   77    HB3  ARG   9           HB1      ARG   9   1.231 -11.157   9.840
   78    HG2  ARG   9           HG2      ARG   9   1.779 -12.791   8.103
   79    HG3  ARG   9           HG1      ARG   9   3.480 -12.328   8.176
   80    HD2  ARG   9           HD2      ARG   9   3.159 -14.356   9.482
   81    HD3  ARG   9           HD1      ARG   9   3.523 -13.023  10.573
   82    HE   ARG   9           HE       ARG   9   0.713 -13.269  10.262
   83   HH11  ARG   9          HH21      ARG   9   3.476 -14.803  11.668
   84   HH12  ARG   9          HH22      ARG   9   2.584 -15.539  12.959
   85   HH21  ARG   9          HH11      ARG   9  -0.467 -14.232  11.950
   86   HH22  ARG   9          HH12      ARG   9   0.352 -15.216  13.117
   87    H    GLY  10           HN       GLY  10   1.939  -7.801   7.034
   88    HA2  GLY  10           HA2      GLY  10   0.677  -5.861   7.460
   89    HA3  GLY  10           HA1      GLY  10   0.227  -6.511   9.032
   90    H    ILE  11           HN       ILE  11   3.454  -7.047   8.772
   91    HA   ILE  11           HA       ILE  11   4.089  -4.714  10.434
   92    HB   ILE  11           HB       ILE  11   6.332  -5.948  10.631
   93   HG12  ILE  11          HG12      ILE  11   4.704  -8.253   9.530
   94   HG13  ILE  11          HG11      ILE  11   5.853  -7.351   8.545
   95   HG21  ILE  11          HG21      ILE  11   5.258  -7.727  12.133
   96   HG22  ILE  11          HG22      ILE  11   3.703  -7.096  11.590
   97   HG23  ILE  11          HG23      ILE  11   4.820  -6.051  12.468
   98   HD11  ILE  11          HD11      ILE  11   6.680  -8.529  11.199
   99   HD12  ILE  11          HD12      ILE  11   7.699  -8.052   9.840
  100   HD13  ILE  11          HD13      ILE  11   6.698  -9.500   9.729
  101    H    CYS  12           HN       CYS  12   3.800  -3.286   8.525
  102    HA   CYS  12           HA       CYS  12   5.898  -3.418   6.497
  103    HB2  CYS  12           HB2      CYS  12   4.018  -1.092   6.682
  104    HB3  CYS  12           HB1      CYS  12   4.597  -1.962   5.259
  105    H    TYR  13           HN       TYR  13   7.751  -2.343   6.592
  106    HA   TYR  13           HA       TYR  13   7.973   0.115   8.183
  107    HB2  TYR  13           HB2      TYR  13   9.642  -2.361   8.644
  108    HB3  TYR  13           HB1      TYR  13  10.088  -0.758   9.230
  109    HD1  TYR  13           HD1      TYR  13   7.500  -3.425   9.428
  110    HD2  TYR  13           HD2      TYR  13   9.000   0.230  11.115
  111    HE1  TYR  13           HE1      TYR  13   6.000  -3.711  11.382
  112    HE2  TYR  13           HE2      TYR  13   7.502  -0.056  13.070
  113    HH   TYR  13           HH       TYR  13   5.242  -2.807  13.264
  114    H    ARG  14           HN       ARG  14   9.592   1.485   7.524
  115    HA   ARG  14           HA       ARG  14  10.531   1.104   4.816
  116    HB2  ARG  14           HB2      ARG  14  10.858   3.343   6.819
  117    HB3  ARG  14           HB1      ARG  14  11.538   3.386   5.192
  118    HG2  ARG  14           HG2      ARG  14   9.301   3.108   4.226
  119    HG3  ARG  14           HG1      ARG  14   8.601   3.005   5.843
  120    HD2  ARG  14           HD2      ARG  14   9.390   5.281   6.339
  121    HD3  ARG  14           HD1      ARG  14  10.112   5.391   4.736
  122    HE   ARG  14           HE       ARG  14   7.279   5.586   5.385
  123   HH11  ARG  14          HH21      ARG  14   9.720   5.031   3.000
  124   HH12  ARG  14          HH22      ARG  14   8.715   5.482   1.663
  125   HH21  ARG  14          HH11      ARG  14   5.949   6.177   3.638
  126   HH22  ARG  14          HH12      ARG  14   6.579   6.131   2.025
  127    H    ARG  15           HN       ARG  15  12.683   1.000   4.136
  128    HA   ARG  15           HA       ARG  15  14.738   0.554   6.217
  129    HB2  ARG  15           HB2      ARG  15  14.211  -1.219   3.820
  130    HB3  ARG  15           HB1      ARG  15  15.630  -1.333   4.862
  131    HG2  ARG  15           HG2      ARG  15  14.145  -1.726   6.813
  132    HG3  ARG  15           HG1      ARG  15  12.745  -1.671   5.739
  133    HD2  ARG  15           HD2      ARG  15  15.049  -3.615   5.437
  134    HD3  ARG  15           HD1      ARG  15  13.527  -3.999   6.235
  135    HE   ARG  15           HE       ARG  15  12.866  -3.021   3.713
  136   HH11  ARG  15          HH21      ARG  15  14.678  -5.616   5.110
  137   HH12  ARG  15          HH22      ARG  15  14.396  -6.706   3.795
  138   HH21  ARG  15          HH11      ARG  15  12.492  -4.446   1.982
  139   HH22  ARG  15          HH12      ARG  15  13.159  -6.043   2.023
  140    H    CYS  16           HN       CYS  16  14.806   2.919   5.284
  141    HA   CYS  16           HA       CYS  16  16.323   3.089   2.787
  142    HB2  CYS  16           HB2      CYS  16  14.451   4.728   3.711
  143    HB3  CYS  16           HB1      CYS  16  15.822   5.476   4.530
  144    H    ARG  17           HN       ARG  17  18.361   4.240   2.695
  145    HA   ARG  17           HA       ARG  17  19.916   4.269   5.211
  146    HB2  ARG  17           HB2      ARG  17  20.753   2.878   2.653
  147    HB3  ARG  17           HB1      ARG  17  21.796   3.143   4.050
  148    HG2  ARG  17           HG2      ARG  17  20.305   1.813   5.461
  149    HG3  ARG  17           HG1      ARG  17  19.183   1.605   4.116
  150    HD2  ARG  17           HD2      ARG  17  20.543  -0.392   4.294
  151    HD3  ARG  17           HD1      ARG  17  21.003   0.476   2.831
  152    HE   ARG  17           HE       ARG  17  22.613   1.185   5.118
  153   HH11  ARG  17          HH21      ARG  17  22.105  -1.052   2.527
  154   HH12  ARG  17          HH22      ARG  17  23.753  -1.581   2.475
  155   HH21  ARG  17          HH11      ARG  17  24.779   0.493   5.059
  156   HH22  ARG  17          HH12      ARG  17  25.267  -0.707   3.908
  157    HN1  NH2  18           HN1      NH2  18  19.214   5.648   2.114
  158    HN2  NH2  18           HN2      NH2  18  20.401   6.859   2.159
  Start of MODEL    9
    1    H1   LYS   1           HT1      LYS   1  19.244   4.669  -3.830
    2    H2   LYS   1           HT2      LYS   1  19.970   5.208  -2.391
    3    H3   LYS   1           HT3      LYS   1  20.795   5.352  -3.870
    4    HA   LYS   1           HA       LYS   1  19.633   7.412  -2.853
    5    HB2  LYS   1           HB2      LYS   1  19.279   8.267  -5.115
    6    HB3  LYS   1           HB1      LYS   1  20.737   7.277  -5.078
    7    HG2  LYS   1           HG2      LYS   1  19.328   5.329  -5.852
    8    HG3  LYS   1           HG1      LYS   1  18.001   6.466  -6.097
    9    HD2  LYS   1           HD2      LYS   1  20.731   6.724  -7.391
   10    HD3  LYS   1           HD1      LYS   1  19.323   6.019  -8.181
   11    HE2  LYS   1           HE2      LYS   1  18.124   8.236  -7.620
   12    HE3  LYS   1           HE1      LYS   1  19.738   8.877  -7.301
   13    HZ1  LYS   1           HZ1      LYS   1  19.078   9.274  -9.585
   14    HZ2  LYS   1           HZ2      LYS   1  18.848   7.610  -9.836
   15    HZ3  LYS   1           HZ3      LYS   1  20.404   8.219  -9.528
   16    H    TRP   2           HN       TRP   2  17.904   5.147  -2.185
   17    HA   TRP   2           HA       TRP   2  15.386   6.496  -2.324
   18    HB2  TRP   2           HB2      TRP   2  15.412   5.545  -4.596
   19    HB3  TRP   2           HB1      TRP   2  15.674   3.936  -3.920
   20    HD1  TRP   2           HD1      TRP   2  13.151   6.807  -3.258
   21    HE1  TRP   2           HE1      TRP   2  10.804   5.767  -3.028
   22    HE3  TRP   2           HE3      TRP   2  14.302   1.876  -3.918
   23    HZ2  TRP   2           HZ2      TRP   2   9.576   3.187  -3.115
   24    HZ3  TRP   2           HZ3      TRP   2  12.525   0.150  -3.843
   25    HH2  TRP   2           HH2      TRP   2  10.165   0.799  -3.442
   26    H    CYS   3           HN       CYS   3  13.880   5.626  -0.892
   27    HA   CYS   3           HA       CYS   3  14.995   3.884   1.134
   28    HB2  CYS   3           HB2      CYS   3  12.170   4.943   0.982
   29    HB3  CYS   3           HB1      CYS   3  13.050   4.413   2.414
   30    H    PHE   4           HN       PHE   4  13.744   2.017   1.962
   31    HA   PHE   4           HA       PHE   4  12.268   0.575  -0.172
   32    HB2  PHE   4           HB2      PHE   4  14.394  -0.535   1.679
   33    HB3  PHE   4           HB1      PHE   4  13.388  -1.499   0.596
   34    HD1  PHE   4           HD2      PHE   4  13.553  -1.185  -1.879
   35    HD2  PHE   4           HD1      PHE   4  16.243   0.747   0.856
   36    HE1  PHE   4           HE2      PHE   4  15.113  -0.711  -3.747
   37    HE2  PHE   4           HE1      PHE   4  17.803   1.220  -1.010
   38    HZ   PHE   4           HZ       PHE   4  17.238   0.492  -3.312
   39    H    ARG   5           HN       ARG   5  10.632  -0.791   0.517
   40    HA   ARG   5           HA       ARG   5  10.070  -1.034   3.376
   41    HB2  ARG   5           HB2      ARG   5   8.977   1.087   2.679
   42    HB3  ARG   5           HB1      ARG   5   8.072   0.190   1.458
   43    HG2  ARG   5           HG2      ARG   5   7.029  -1.183   3.189
   44    HG3  ARG   5           HG1      ARG   5   7.988  -0.385   4.435
   45    HD2  ARG   5           HD2      ARG   5   5.768   0.611   4.387
   46    HD3  ARG   5           HD1      ARG   5   6.939   1.786   3.794
   47    HE   ARG   5           HE       ARG   5   5.974   1.626   1.672
   48   HH11  ARG   5          HH21      ARG   5   4.825  -0.849   3.800
   49   HH12  ARG   5          HH22      ARG   5   3.548  -1.357   2.745
   50   HH21  ARG   5          HH11      ARG   5   4.300   0.966   0.282
   51   HH22  ARG   5          HH12      ARG   5   3.250  -0.328   0.754
   52    H    VAL   6           HN       VAL   6   9.077  -2.921   3.857
   53    HA   VAL   6           HA       VAL   6   7.720  -4.441   1.730
   54    HB   VAL   6           HB       VAL   6   9.996  -5.285   1.674
   55   HG11  VAL   6          HG11      VAL   6   9.680  -5.814   4.641
   56   HG12  VAL   6          HG12      VAL   6  10.598  -4.470   3.965
   57   HG13  VAL   6          HG13      VAL   6  11.111  -6.128   3.660
   58   HG21  VAL   6          HG21      VAL   6   8.009  -6.880   1.610
   59   HG22  VAL   6          HG22      VAL   6   8.339  -7.225   3.306
   60   HG23  VAL   6          HG23      VAL   6   9.544  -7.609   2.078
   61    H    CYS   7           HN       CYS   7   6.063  -5.701   2.458
   62    HA   CYS   7           HA       CYS   7   5.537  -5.714   5.387
   63    HB2  CYS   7           HB2      CYS   7   3.463  -5.645   3.184
   64    HB3  CYS   7           HB1      CYS   7   3.193  -5.473   4.919
   65    H    TYR   8           HN       TYR   8   4.489  -7.558   6.222
   66    HA   TYR   8           HA       TYR   8   4.420  -9.932   4.446
   67    HB2  TYR   8           HB2      TYR   8   5.619  -9.769   7.224
   68    HB3  TYR   8           HB1      TYR   8   5.383 -11.257   6.308
   69    HD1  TYR   8           HD2      TYR   8   6.501 -11.467   4.017
   70    HD2  TYR   8           HD1      TYR   8   7.523  -8.403   6.852
   71    HE1  TYR   8           HE2      TYR   8   8.641 -11.080   2.828
   72    HE2  TYR   8           HE1      TYR   8   9.664  -8.017   5.663
   73    HH   TYR   8           HH       TYR   8  10.616 -10.035   2.893
   74    H    ARG   9           HN       ARG   9   3.947  -9.793   7.928
   75    HA   ARG   9           HA       ARG   9   1.199 -10.786   7.576
   76    HB2  ARG   9           HB2      ARG   9   1.354 -11.373   9.965
   77    HB3  ARG   9           HB1      ARG   9   2.669 -12.087   9.032
   78    HG2  ARG   9           HG2      ARG   9   4.165 -10.251   9.732
   79    HG3  ARG   9           HG1      ARG   9   2.853  -9.540  10.674
   80    HD2  ARG   9           HD2      ARG   9   3.920 -12.341  11.101
   81    HD3  ARG   9           HD1      ARG   9   4.418 -10.941  12.047
   82    HE   ARG   9           HE       ARG   9   1.618 -11.066  12.126
   83   HH11  ARG   9          HH21      ARG   9   4.386 -12.898  13.098
   84   HH12  ARG   9          HH22      ARG   9   3.607 -13.608  14.471
   85   HH21  ARG   9          HH11      ARG   9   0.587 -11.993  13.925
   86   HH22  ARG   9          HH12      ARG   9   1.454 -13.094  14.940
   87    H    GLY  10           HN       GLY  10   1.649  -8.046   7.003
   88    HA2  GLY  10           HA2      GLY  10   0.190  -6.223   7.364
   89    HA3  GLY  10           HA1      GLY  10  -0.167  -6.839   8.974
   90    H    ILE  11           HN       ILE  11   3.056  -7.142   8.774
   91    HA   ILE  11           HA       ILE  11   3.532  -4.535  10.085
   92    HB   ILE  11           HB       ILE  11   5.209  -7.059  10.080
   93   HG12  ILE  11          HG12      ILE  11   3.549  -5.866  12.318
   94   HG13  ILE  11          HG11      ILE  11   2.965  -7.160  11.269
   95   HG21  ILE  11          HG21      ILE  11   6.354  -5.869  11.983
   96   HG22  ILE  11          HG22      ILE  11   5.437  -4.424  11.562
   97   HG23  ILE  11          HG23      ILE  11   6.591  -5.099  10.415
   98   HD11  ILE  11          HD11      ILE  11   3.916  -8.110  13.320
   99   HD12  ILE  11          HD12      ILE  11   5.438  -7.269  13.022
  100   HD13  ILE  11          HD13      ILE  11   4.912  -8.552  11.933
  101    H    CYS  12           HN       CYS  12   4.400  -3.010   8.865
  102    HA   CYS  12           HA       CYS  12   6.097  -3.772   6.561
  103    HB2  CYS  12           HB2      CYS  12   4.650  -1.174   7.132
  104    HB3  CYS  12           HB1      CYS  12   5.572  -1.550   5.678
  105    H    TYR  13           HN       TYR  13   8.195  -3.320   6.605
  106    HA   TYR  13           HA       TYR  13   9.249  -1.639   8.804
  107    HB2  TYR  13           HB2      TYR  13  10.547  -3.770   7.096
  108    HB3  TYR  13           HB1      TYR  13  11.417  -2.769   8.255
  109    HD1  TYR  13           HD2      TYR  13  10.881  -2.897  10.679
  110    HD2  TYR  13           HD1      TYR  13   9.117  -5.572   7.819
  111    HE1  TYR  13           HE2      TYR  13  10.191  -4.409  12.520
  112    HE2  TYR  13           HE1      TYR  13   8.425  -7.086   9.659
  113    HH   TYR  13           HH       TYR  13   9.508  -6.582  12.952
  114    H    ARG  14           HN       ARG  14  10.423   0.133   8.387
  115    HA   ARG  14           HA       ARG  14  10.715   0.974   5.564
  116    HB2  ARG  14           HB2      ARG  14  10.775   3.276   6.486
  117    HB3  ARG  14           HB1      ARG  14   9.271   2.439   6.872
  118    HG2  ARG  14           HG2      ARG  14  10.216   1.843   9.103
  119    HG3  ARG  14           HG1      ARG  14  11.653   2.788   8.716
  120    HD2  ARG  14           HD2      ARG  14   8.848   3.920   8.712
  121    HD3  ARG  14           HD1      ARG  14   9.951   4.042  10.078
  122    HE   ARG  14           HE       ARG  14  11.260   5.014   7.779
  123   HH11  ARG  14          HH21      ARG  14   8.624   5.738   9.899
  124   HH12  ARG  14          HH22      ARG  14   8.726   7.451   9.666
  125   HH21  ARG  14          HH11      ARG  14  11.400   7.261   7.466
  126   HH22  ARG  14          HH12      ARG  14  10.297   8.313   8.288
  127    H    ARG  15           HN       ARG  15  12.673   1.442   4.762
  128    HA   ARG  15           HA       ARG  15  14.962   1.796   6.576
  129    HB2  ARG  15           HB2      ARG  15  14.734  -0.654   5.938
  130    HB3  ARG  15           HB1      ARG  15  15.074  -0.160   4.279
  131    HG2  ARG  15           HG2      ARG  15  17.203   0.833   4.993
  132    HG3  ARG  15           HG1      ARG  15  16.864   0.385   6.664
  133    HD2  ARG  15           HD2      ARG  15  18.356  -1.268   5.645
  134    HD3  ARG  15           HD1      ARG  15  16.794  -1.999   5.999
  135    HE   ARG  15           HE       ARG  15  16.403  -2.194   3.703
  136   HH11  ARG  15          HH21      ARG  15  19.171  -0.227   4.371
  137   HH12  ARG  15          HH22      ARG  15  19.712  -0.190   2.727
  138   HH21  ARG  15          HH11      ARG  15  17.102  -2.148   1.547
  139   HH22  ARG  15          HH12      ARG  15  18.540  -1.277   1.127
  140    H    CYS  16           HN       CYS  16  16.286   3.349   5.884
  141    HA   CYS  16           HA       CYS  16  16.621   3.922   3.060
  142    HB2  CYS  16           HB2      CYS  16  14.512   5.175   4.059
  143    HB3  CYS  16           HB1      CYS  16  15.731   6.273   4.700
  144    H    ARG  17           HN       ARG  17  18.250   5.634   2.708
  145    HA   ARG  17           HA       ARG  17  19.889   6.441   4.954
  146    HB2  ARG  17           HB2      ARG  17  20.646   4.107   4.561
  147    HB3  ARG  17           HB1      ARG  17  21.043   4.542   2.897
  148    HG2  ARG  17           HG2      ARG  17  22.635   6.239   3.706
  149    HG3  ARG  17           HG1      ARG  17  22.229   5.830   5.374
  150    HD2  ARG  17           HD2      ARG  17  22.970   3.481   4.912
  151    HD3  ARG  17           HD1      ARG  17  23.510   4.006   3.320
  152    HE   ARG  17           HE       ARG  17  24.781   4.608   5.875
  153   HH11  ARG  17          HH21      ARG  17  24.435   5.333   2.505
  154   HH12  ARG  17          HH22      ARG  17  25.976   6.113   2.376
  155   HH21  ARG  17          HH11      ARG  17  26.798   5.632   5.710
  156   HH22  ARG  17          HH12      ARG  17  27.313   6.282   4.190
  157    HN1  NH2  18           HN1      NH2  18  19.565   6.222   1.398
  158    HN2  NH2  18           HN2      NH2  18  20.276   7.732   1.096
  Start of MODEL   10
    1    H1   LYS   1           HT1      LYS   1  19.780   7.033  -3.578
    2    H2   LYS   1           HT2      LYS   1  19.269   5.791  -2.536
    3    H3   LYS   1           HT3      LYS   1  20.668   6.687  -2.173
    4    HA   LYS   1           HA       LYS   1  19.213   7.732  -0.793
    5    HB2  LYS   1           HB2      LYS   1  18.814   9.053  -3.492
    6    HB3  LYS   1           HB1      LYS   1  18.376   9.787  -1.949
    7    HG2  LYS   1           HG2      LYS   1  20.713   9.632  -1.197
    8    HG3  LYS   1           HG1      LYS   1  21.160   8.881  -2.729
    9    HD2  LYS   1           HD2      LYS   1  20.431  10.896  -3.943
   10    HD3  LYS   1           HD1      LYS   1  19.974  11.653  -2.417
   11    HE2  LYS   1           HE2      LYS   1  22.305  11.508  -1.634
   12    HE3  LYS   1           HE1      LYS   1  22.770  10.739  -3.152
   13    HZ1  LYS   1           HZ1      LYS   1  22.525  12.664  -4.317
   14    HZ2  LYS   1           HZ2      LYS   1  22.995  13.310  -2.816
   15    HZ3  LYS   1           HZ3      LYS   1  21.355  13.302  -3.263
   16    H    TRP   2           HN       TRP   2  17.951   5.394  -2.263
   17    HA   TRP   2           HA       TRP   2  15.121   6.279  -2.225
   18    HB2  TRP   2           HB2      TRP   2  16.249   3.754  -3.444
   19    HB3  TRP   2           HB1      TRP   2  14.627   4.413  -3.650
   20    HD1  TRP   2           HD1      TRP   2  14.771   7.153  -4.589
   21    HE1  TRP   2           HE1      TRP   2  16.114   7.955  -6.637
   22    HE3  TRP   2           HE3      TRP   2  18.134   3.335  -4.986
   23    HZ2  TRP   2           HZ2      TRP   2  18.324   7.092  -8.234
   24    HZ3  TRP   2           HZ3      TRP   2  19.848   3.349  -6.777
   25    HH2  TRP   2           HH2      TRP   2  19.946   5.221  -8.400
   26    H    CYS   3           HN       CYS   3  13.657   5.229  -0.950
   27    HA   CYS   3           HA       CYS   3  14.774   3.431   1.114
   28    HB2  CYS   3           HB2      CYS   3  12.238   5.092   1.111
   29    HB3  CYS   3           HB1      CYS   3  12.801   4.081   2.443
   30    H    PHE   4           HN       PHE   4  13.506   1.607   1.783
   31    HA   PHE   4           HA       PHE   4  11.529   0.640  -0.203
   32    HB2  PHE   4           HB2      PHE   4  13.820  -0.935   0.995
   33    HB3  PHE   4           HB1      PHE   4  12.530  -1.616   0.005
   34    HD1  PHE   4           HD2      PHE   4  12.208  -0.732  -2.364
   35    HD2  PHE   4           HD1      PHE   4  15.688   0.141  -0.004
   36    HE1  PHE   4           HE2      PHE   4  13.440  -0.091  -4.419
   37    HE2  PHE   4           HE1      PHE   4  16.921   0.782  -2.058
   38    HZ   PHE   4           HZ       PHE   4  15.797   0.666  -4.266
   39    H    ARG   5           HN       ARG   5   9.964  -0.780   0.604
   40    HA   ARG   5           HA       ARG   5   9.909  -1.352   3.472
   41    HB2  ARG   5           HB2      ARG   5   7.669  -0.351   3.741
   42    HB3  ARG   5           HB1      ARG   5   8.878   0.866   3.333
   43    HG2  ARG   5           HG2      ARG   5   8.192   0.714   0.948
   44    HG3  ARG   5           HG1      ARG   5   6.939  -0.439   1.405
   45    HD2  ARG   5           HD2      ARG   5   5.938   1.250   2.902
   46    HD3  ARG   5           HD1      ARG   5   7.173   2.407   2.414
   47    HE   ARG   5           HE       ARG   5   4.887   1.530   0.830
   48   HH11  ARG   5          HH21      ARG   5   7.985   3.066   0.938
   49   HH12  ARG   5          HH22      ARG   5   7.752   3.951  -0.531
   50   HH21  ARG   5          HH11      ARG   5   4.574   2.685  -1.101
   51   HH22  ARG   5          HH12      ARG   5   5.821   3.734  -1.686
   52    H    VAL   6           HN       VAL   6   8.810  -3.186   3.943
   53    HA   VAL   6           HA       VAL   6   6.998  -4.362   1.953
   54    HB   VAL   6           HB       VAL   6   9.247  -5.233   1.399
   55   HG11  VAL   6          HG11      VAL   6   9.201  -6.520   4.136
   56   HG12  VAL   6          HG12      VAL   6  10.054  -5.011   3.819
   57   HG13  VAL   6          HG13      VAL   6  10.529  -6.486   2.977
   58   HG21  VAL   6          HG21      VAL   6   8.607  -7.552   1.355
   59   HG22  VAL   6          HG22      VAL   6   7.119  -6.612   1.222
   60   HG23  VAL   6          HG23      VAL   6   7.562  -7.350   2.761
   61    H    CYS   7           HN       CYS   7   5.409  -5.602   2.849
   62    HA   CYS   7           HA       CYS   7   5.247  -5.612   5.783
   63    HB2  CYS   7           HB2      CYS   7   3.279  -5.851   3.538
   64    HB3  CYS   7           HB1      CYS   7   2.856  -6.540   5.106
   65    H    TYR   8           HN       TYR   8   6.305  -7.304   6.638
   66    HA   TYR   8           HA       TYR   8   6.540  -9.850   5.371
   67    HB2  TYR   8           HB2      TYR   8   7.032  -8.992   8.231
   68    HB3  TYR   8           HB1      TYR   8   7.449 -10.576   7.573
   69    HD1  TYR   8           HD2      TYR   8   9.182 -10.805   5.826
   70    HD2  TYR   8           HD1      TYR   8   8.293  -7.011   7.634
   71    HE1  TYR   8           HE2      TYR   8  11.300  -9.882   4.927
   72    HE2  TYR   8           HE1      TYR   8  10.411  -6.088   6.736
   73    HH   TYR   8           HH       TYR   8  12.301  -7.768   4.393
   74    H    ARG   9           HN       ARG   9   4.457  -8.520   7.906
   75    HA   ARG   9           HA       ARG   9   2.554 -10.699   7.454
   76    HB2  ARG   9           HB2      ARG   9   2.319 -11.082   9.904
   77    HB3  ARG   9           HB1      ARG   9   3.894 -11.569   9.279
   78    HG2  ARG   9           HG2      ARG   9   4.884  -9.464  10.048
   79    HG3  ARG   9           HG1      ARG   9   3.308  -8.909  10.616
   80    HD2  ARG   9           HD2      ARG   9   4.566  -9.790  12.504
   81    HD3  ARG   9           HD1      ARG   9   3.213 -10.863  12.156
   82    HE   ARG   9           HE       ARG   9   5.521 -11.735  10.749
   83   HH11  ARG   9          HH21      ARG   9   4.145 -11.503  13.916
   84   HH12  ARG   9          HH22      ARG   9   4.983 -12.888  14.532
   85   HH21  ARG   9          HH11      ARG   9   6.623 -13.553  11.549
   86   HH22  ARG   9          HH12      ARG   9   6.385 -14.048  13.192
   87    H    GLY  10           HN       GLY  10   2.401  -7.998   6.705
   88    HA2  GLY  10           HA2      GLY  10   0.411  -6.676   6.643
   89    HA3  GLY  10           HA1      GLY  10   0.074  -7.138   8.307
   90    H    ILE  11           HN       ILE  11   3.129  -6.644   8.720
   91    HA   ILE  11           HA       ILE  11   2.842  -3.741   9.244
   92    HB   ILE  11           HB       ILE  11   4.738  -5.762  10.467
   93   HG12  ILE  11          HG12      ILE  11   2.341  -4.370  11.695
   94   HG13  ILE  11          HG11      ILE  11   2.283  -6.006  11.040
   95   HG21  ILE  11          HG21      ILE  11   5.091  -3.869  12.107
   96   HG22  ILE  11          HG22      ILE  11   4.196  -2.828  11.001
   97   HG23  ILE  11          HG23      ILE  11   5.719  -3.553  10.488
   98   HD11  ILE  11          HD11      ILE  11   2.676  -6.052  13.475
   99   HD12  ILE  11          HD12      ILE  11   4.118  -5.062  13.263
  100   HD13  ILE  11          HD13      ILE  11   4.067  -6.696  12.604
  101    H    CYS  12           HN       CYS  12   3.785  -2.500   7.773
  102    HA   CYS  12           HA       CYS  12   6.078  -3.487   6.226
  103    HB2  CYS  12           HB2      CYS  12   4.122  -1.232   5.924
  104    HB3  CYS  12           HB1      CYS  12   5.678  -1.137   5.097
  105    H    TYR  13           HN       TYR  13   8.102  -2.917   6.656
  106    HA   TYR  13           HA       TYR  13   8.588  -0.741   8.613
  107    HB2  TYR  13           HB2      TYR  13  10.308  -3.092   7.806
  108    HB3  TYR  13           HB1      TYR  13  10.774  -1.848   8.962
  109    HD1  TYR  13           HD2      TYR  13   9.668  -1.664  11.143
  110    HD2  TYR  13           HD1      TYR  13   8.598  -4.755   8.358
  111    HE1  TYR  13           HE2      TYR  13   8.466  -2.870  12.945
  112    HE2  TYR  13           HE1      TYR  13   7.393  -5.961  10.161
  113    HH   TYR  13           HH       TYR  13   7.032  -6.065  12.377
  114    H    ARG  14           HN       ARG  14   9.612   1.019   7.969
  115    HA   ARG  14           HA       ARG  14  10.407   1.310   5.191
  116    HB2  ARG  14           HB2      ARG  14  10.380   3.250   7.517
  117    HB3  ARG  14           HB1      ARG  14  10.863   3.680   5.876
  118    HG2  ARG  14           HG2      ARG  14   8.657   3.008   5.032
  119    HG3  ARG  14           HG1      ARG  14   8.165   2.533   6.658
  120    HD2  ARG  14           HD2      ARG  14   8.526   4.869   7.424
  121    HD3  ARG  14           HD1      ARG  14   8.946   5.327   5.777
  122    HE   ARG  14           HE       ARG  14   6.441   4.102   5.663
  123   HH11  ARG  14          HH21      ARG  14   7.955   6.856   7.106
  124   HH12  ARG  14          HH22      ARG  14   6.521   7.827   7.091
  125   HH21  ARG  14          HH11      ARG  14   4.553   5.366   5.645
  126   HH22  ARG  14          HH12      ARG  14   4.594   6.982   6.265
  127    H    ARG  15           HN       ARG  15  12.464   1.604   4.430
  128    HA   ARG  15           HA       ARG  15  14.709   1.612   6.340
  129    HB2  ARG  15           HB2      ARG  15  14.277  -0.754   5.720
  130    HB3  ARG  15           HB1      ARG  15  14.488  -0.323   4.022
  131    HG2  ARG  15           HG2      ARG  15  16.785   0.423   4.475
  132    HG3  ARG  15           HG1      ARG  15  16.582   0.046   6.186
  133    HD2  ARG  15           HD2      ARG  15  16.101  -2.331   5.527
  134    HD3  ARG  15           HD1      ARG  15  16.518  -1.902   3.871
  135    HE   ARG  15           HE       ARG  15  18.572  -1.202   5.772
  136   HH11  ARG  15          HH21      ARG  15  17.192  -3.691   3.805
  137   HH12  ARG  15          HH22      ARG  15  18.658  -4.604   3.689
  138   HH21  ARG  15          HH11      ARG  15  20.500  -2.395   5.627
  139   HH22  ARG  15          HH12      ARG  15  20.531  -3.871   4.721
  140    H    CYS  16           HN       CYS  16  16.192   3.056   5.774
  141    HA   CYS  16           HA       CYS  16  16.414   3.874   2.932
  142    HB2  CYS  16           HB2      CYS  16  16.525   5.705   5.343
  143    HB3  CYS  16           HB1      CYS  16  16.730   6.185   3.658
  144    H    ARG  17           HN       ARG  17  18.475   4.517   2.260
  145    HA   ARG  17           HA       ARG  17  20.716   4.322   4.129
  146    HB2  ARG  17           HB2      ARG  17  21.887   2.644   2.774
  147    HB3  ARG  17           HB1      ARG  17  20.368   1.997   3.396
  148    HG2  ARG  17           HG2      ARG  17  19.272   2.476   1.237
  149    HG3  ARG  17           HG1      ARG  17  20.786   3.126   0.608
  150    HD2  ARG  17           HD2      ARG  17  20.522   0.817  -0.130
  151    HD3  ARG  17           HD1      ARG  17  21.870   0.933   0.998
  152    HE   ARG  17           HE       ARG  17  20.633  -0.306   2.556
  153   HH11  ARG  17          HH21      ARG  17  18.717   0.648  -0.162
  154   HH12  ARG  17          HH22      ARG  17  17.389  -0.389   0.237
  155   HH21  ARG  17          HH11      ARG  17  18.894  -1.662   3.090
  156   HH22  ARG  17          HH12      ARG  17  17.486  -1.695   2.079
  157    HN1  NH2  18           HN1      NH2  18  19.262   5.934   1.641
  158    HN2  NH2  18           HN2      NH2  18  20.629   6.630   0.914
  Start of MODEL   11
    1    H1   LYS   1           HT1      LYS   1  19.574   7.807  -3.481
    2    H2   LYS   1           HT2      LYS   1  20.747   8.600  -2.543
    3    H3   LYS   1           HT3      LYS   1  19.350   9.428  -3.040
    4    HA   LYS   1           HA       LYS   1  19.648   7.365  -0.961
    5    HB2  LYS   1           HB2      LYS   1  18.289  10.064  -1.173
    6    HB3  LYS   1           HB1      LYS   1  18.137   9.003   0.227
    7    HG2  LYS   1           HG2      LYS   1  20.588   9.037   0.523
    8    HG3  LYS   1           HG1      LYS   1  20.741  10.105  -0.874
    9    HD2  LYS   1           HD2      LYS   1  19.412  11.823   0.252
   10    HD3  LYS   1           HD1      LYS   1  19.158  10.752   1.631
   11    HE2  LYS   1           HE2      LYS   1  20.967  12.325   2.131
   12    HE3  LYS   1           HE1      LYS   1  21.617  10.689   2.003
   13    HZ1  LYS   1           HZ1      LYS   1  23.003  11.484   0.486
   14    HZ2  LYS   1           HZ2      LYS   1  22.203  12.983   0.432
   15    HZ3  LYS   1           HZ3      LYS   1  21.677  11.699  -0.550
   16    H    TRP   2           HN       TRP   2  18.522   5.598  -1.667
   17    HA   TRP   2           HA       TRP   2  15.723   5.994  -2.574
   18    HB2  TRP   2           HB2      TRP   2  17.698   3.750  -3.034
   19    HB3  TRP   2           HB1      TRP   2  15.976   3.606  -3.391
   20    HD1  TRP   2           HD1      TRP   2  19.155   5.307  -4.566
   21    HE1  TRP   2           HE1      TRP   2  18.722   6.428  -6.844
   22    HE3  TRP   2           HE3      TRP   2  14.096   4.714  -4.890
   23    HZ2  TRP   2           HZ2      TRP   2  16.519   6.998  -8.578
   24    HZ3  TRP   2           HZ3      TRP   2  12.855   5.555  -6.864
   25    HH2  TRP   2           HH2      TRP   2  14.060   6.695  -8.707
   26    H    CYS   3           HN       CYS   3  14.078   5.044  -1.475
   27    HA   CYS   3           HA       CYS   3  14.772   3.660   1.057
   28    HB2  CYS   3           HB2      CYS   3  12.289   5.225   0.308
   29    HB3  CYS   3           HB1      CYS   3  12.578   4.439   1.860
   30    H    PHE   4           HN       PHE   4  13.797   1.736   1.562
   31    HA   PHE   4           HA       PHE   4  11.937   0.560  -0.425
   32    HB2  PHE   4           HB2      PHE   4  14.351  -0.759   0.836
   33    HB3  PHE   4           HB1      PHE   4  13.109  -1.617  -0.077
   34    HD1  PHE   4           HD2      PHE   4  12.734  -1.080  -2.493
   35    HD2  PHE   4           HD1      PHE   4  16.021   0.562  -0.267
   36    HE1  PHE   4           HE2      PHE   4  13.862  -0.461  -4.612
   37    HE2  PHE   4           HE1      PHE   4  17.148   1.181  -2.387
   38    HZ   PHE   4           HZ       PHE   4  16.068   0.669  -4.559
   39    H    ARG   5           HN       ARG   5  10.439  -0.916   0.395
   40    HA   ARG   5           HA       ARG   5  10.366  -1.363   3.301
   41    HB2  ARG   5           HB2      ARG   5   8.047  -0.590   3.457
   42    HB3  ARG   5           HB1      ARG   5   9.097   0.722   2.918
   43    HG2  ARG   5           HG2      ARG   5   8.444   0.266   0.571
   44    HG3  ARG   5           HG1      ARG   5   7.362  -1.011   1.127
   45    HD2  ARG   5           HD2      ARG   5   6.122   0.655   2.482
   46    HD3  ARG   5           HD1      ARG   5   7.172   1.923   1.857
   47    HE   ARG   5           HE       ARG   5   5.897   0.395  -0.229
   48   HH11  ARG   5          HH21      ARG   5   5.584   2.999   2.029
   49   HH12  ARG   5          HH22      ARG   5   4.384   3.838   1.104
   50   HH21  ARG   5          HH11      ARG   5   4.325   1.489  -1.445
   51   HH22  ARG   5          HH12      ARG   5   3.672   2.983  -0.863
   52    H    VAL   6           HN       VAL   6   9.226  -3.185   3.912
   53    HA   VAL   6           HA       VAL   6   7.874  -4.766   1.824
   54    HB   VAL   6           HB       VAL   6  10.126  -5.643   1.799
   55   HG11  VAL   6          HG11      VAL   6  10.760  -4.702   4.042
   56   HG12  VAL   6          HG12      VAL   6  11.279  -6.369   3.800
   57   HG13  VAL   6          HG13      VAL   6   9.864  -6.022   4.794
   58   HG21  VAL   6          HG21      VAL   6   8.092  -7.218   1.909
   59   HG22  VAL   6          HG22      VAL   6   8.559  -7.512   3.584
   60   HG23  VAL   6          HG23      VAL   6   9.665  -7.925   2.273
   61    H    CYS   7           HN       CYS   7   6.111  -5.825   2.567
   62    HA   CYS   7           HA       CYS   7   5.554  -5.666   5.480
   63    HB2  CYS   7           HB2      CYS   7   3.456  -6.068   3.360
   64    HB3  CYS   7           HB1      CYS   7   3.282  -5.405   4.985
   65    H    TYR   8           HN       TYR   8   5.277  -7.500   6.588
   66    HA   TYR   8           HA       TYR   8   5.485 -10.050   5.158
   67    HB2  TYR   8           HB2      TYR   8   5.696  -9.284   8.072
   68    HB3  TYR   8           HB1      TYR   8   5.715 -10.957   7.514
   69    HD1  TYR   8           HD1      TYR   8   7.475  -7.692   7.295
   70    HD2  TYR   8           HD2      TYR   8   7.643 -11.903   6.454
   71    HE1  TYR   8           HE1      TYR   8   9.885  -7.487   6.747
   72    HE2  TYR   8           HE2      TYR   8  10.052 -11.697   5.906
   73    HH   TYR   8           HH       TYR   8  11.539  -9.184   5.072
   74    H    ARG   9           HN       ARG   9   3.764  -9.527   8.184
   75    HA   ARG   9           HA       ARG   9   1.231 -10.375   6.907
   76    HB2  ARG   9           HB2      ARG   9   2.489 -11.490   9.425
   77    HB3  ARG   9           HB1      ARG   9   0.816 -11.779   8.942
   78    HG2  ARG   9           HG2      ARG   9   1.600 -12.750   6.814
   79    HG3  ARG   9           HG1      ARG   9   3.269 -12.479   7.306
   80    HD2  ARG   9           HD2      ARG   9   2.923 -13.938   9.273
   81    HD3  ARG   9           HD1      ARG   9   1.265 -14.230   8.756
   82    HE   ARG   9           HE       ARG   9   3.142 -14.875   6.690
   83   HH11  ARG   9          HH21      ARG   9   1.747 -15.937   9.672
   84   HH12  ARG   9          HH22      ARG   9   1.973 -17.621   9.338
   85   HH21  ARG   9          HH11      ARG   9   3.441 -17.082   6.243
   86   HH22  ARG   9          HH12      ARG   9   2.933 -18.271   7.396
   87    H    GLY  10           HN       GLY  10   1.415  -7.828   7.196
   88    HA2  GLY  10           HA2      GLY  10  -0.187  -6.288   8.110
   89    HA3  GLY  10           HA1      GLY  10  -0.167  -7.195   9.618
   90    H    ILE  11           HN       ILE  11   2.932  -7.258   9.061
   91    HA   ILE  11           HA       ILE  11   3.470  -4.659  10.387
   92    HB   ILE  11           HB       ILE  11   5.088  -7.222  10.385
   93   HG12  ILE  11          HG12      ILE  11   3.587  -5.901  12.662
   94   HG13  ILE  11          HG11      ILE  11   2.897  -7.197  11.683
   95   HG21  ILE  11          HG21      ILE  11   6.289  -5.948  12.257
   96   HG22  ILE  11          HG22      ILE  11   5.479  -4.503  11.655
   97   HG23  ILE  11          HG23      ILE  11   6.597  -5.385  10.616
   98   HD11  ILE  11          HD11      ILE  11   3.905  -8.157  13.685
   99   HD12  ILE  11          HD12      ILE  11   5.433  -7.349  13.336
  100   HD13  ILE  11          HD13      ILE  11   4.852  -8.631  12.275
  101    H    CYS  12           HN       CYS  12   4.279  -3.179   9.064
  102    HA   CYS  12           HA       CYS  12   6.244  -4.014   7.013
  103    HB2  CYS  12           HB2      CYS  12   3.776  -3.373   6.255
  104    HB3  CYS  12           HB1      CYS  12   4.396  -1.733   6.418
  105    H    TYR  13           HN       TYR  13   7.894  -2.561   6.593
  106    HA   TYR  13           HA       TYR  13   7.994  -0.035   8.079
  107    HB2  TYR  13           HB2      TYR  13  10.253  -0.619   8.984
  108    HB3  TYR  13           HB1      TYR  13   8.947  -1.571   9.688
  109    HD1  TYR  13           HD1      TYR  13  11.610  -1.616   7.074
  110    HD2  TYR  13           HD2      TYR  13   8.899  -3.936   9.468
  111    HE1  TYR  13           HE1      TYR  13  12.718  -3.700   6.312
  112    HE2  TYR  13           HE2      TYR  13  10.008  -6.018   8.706
  113    HH   TYR  13           HH       TYR  13  12.404  -5.996   6.156
  114    H    ARG  14           HN       ARG  14   9.896   1.261   7.463
  115    HA   ARG  14           HA       ARG  14  10.887   0.611   4.740
  116    HB2  ARG  14           HB2      ARG  14  10.730   3.007   4.206
  117    HB3  ARG  14           HB1      ARG  14   9.148   2.347   4.620
  118    HG2  ARG  14           HG2      ARG  14   9.378   3.219   6.917
  119    HG3  ARG  14           HG1      ARG  14  10.960   3.882   6.512
  120    HD2  ARG  14           HD2      ARG  14   9.915   5.286   4.762
  121    HD3  ARG  14           HD1      ARG  14   8.336   4.647   5.208
  122    HE   ARG  14           HE       ARG  14   9.457   5.664   7.542
  123   HH11  ARG  14          HH21      ARG  14   8.535   6.780   4.400
  124   HH12  ARG  14          HH22      ARG  14   8.151   8.383   4.929
  125   HH21  ARG  14          HH11      ARG  14   8.957   7.765   8.245
  126   HH22  ARG  14          HH12      ARG  14   8.390   8.941   7.107
  127    H    ARG  15           HN       ARG  15  12.983   1.237   4.265
  128    HA   ARG  15           HA       ARG  15  14.596   2.404   6.456
  129    HB2  ARG  15           HB2      ARG  15  15.232  -0.107   4.887
  130    HB3  ARG  15           HB1      ARG  15  16.379   0.736   5.929
  131    HG2  ARG  15           HG2      ARG  15  14.943   0.386   7.867
  132    HG3  ARG  15           HG1      ARG  15  13.697  -0.339   6.850
  133    HD2  ARG  15           HD2      ARG  15  14.972  -2.106   7.941
  134    HD3  ARG  15           HD1      ARG  15  15.303  -2.131   6.212
  135    HE   ARG  15           HE       ARG  15  17.209  -0.512   7.590
  136   HH11  ARG  15          HH21      ARG  15  16.245  -3.770   6.939
  137   HH12  ARG  15          HH22      ARG  15  17.834  -4.429   7.141
  138   HH21  ARG  15          HH11      ARG  15  19.298  -1.368   7.857
  139   HH22  ARG  15          HH12      ARG  15  19.562  -3.067   7.661
  140    H    CYS  16           HN       CYS  16  15.532   4.164   5.703
  141    HA   CYS  16           HA       CYS  16  16.131   4.399   2.818
  142    HB2  CYS  16           HB2      CYS  16  15.946   6.496   4.992
  143    HB3  CYS  16           HB1      CYS  16  16.315   6.819   3.298
  144    H    ARG  17           HN       ARG  17  18.168   4.942   2.088
  145    HA   ARG  17           HA       ARG  17  20.348   5.624   3.777
  146    HB2  ARG  17           HB2      ARG  17  20.082   3.256   4.467
  147    HB3  ARG  17           HB1      ARG  17  20.313   2.761   2.791
  148    HG2  ARG  17           HG2      ARG  17  22.550   3.799   2.785
  149    HG3  ARG  17           HG1      ARG  17  22.320   4.307   4.459
  150    HD2  ARG  17           HD2      ARG  17  22.014   1.900   5.084
  151    HD3  ARG  17           HD1      ARG  17  22.415   1.459   3.427
  152    HE   ARG  17           HE       ARG  17  24.258   2.415   5.469
  153   HH11  ARG  17          HH21      ARG  17  23.610   1.867   2.114
  154   HH12  ARG  17          HH22      ARG  17  25.279   1.812   1.658
  155   HH21  ARG  17          HH11      ARG  17  26.450   2.345   4.880
  156   HH22  ARG  17          HH12      ARG  17  26.889   2.083   3.223
  157    HN1  NH2  18           HN1      NH2  18  20.990   3.325   1.211
  158    HN2  NH2  18           HN2      NH2  18  21.474   4.471   0.057
  Start of MODEL   12
    1    H1   LYS   1           HT1      LYS   1  19.905   7.716  -2.904
    2    H2   LYS   1           HT2      LYS   1  20.771   8.727  -1.849
    3    H3   LYS   1           HT3      LYS   1  19.278   9.234  -2.481
    4    HA   LYS   1           HA       LYS   1  19.771   7.077  -0.510
    5    HB2  LYS   1           HB2      LYS   1  18.240   9.693  -0.460
    6    HB3  LYS   1           HB1      LYS   1  18.154   8.481   0.819
    7    HG2  LYS   1           HG2      LYS   1  20.587   8.652   1.160
    8    HG3  LYS   1           HG1      LYS   1  20.687   9.856  -0.127
    9    HD2  LYS   1           HD2      LYS   1  19.239  11.373   1.140
   10    HD3  LYS   1           HD1      LYS   1  19.048  10.161   2.408
   11    HE2  LYS   1           HE2      LYS   1  20.740  11.602   3.228
   12    HE3  LYS   1           HE1      LYS   1  21.623  10.213   2.592
   13    HZ1  LYS   1           HZ1      LYS   1  21.934  12.856   1.868
   14    HZ2  LYS   1           HZ2      LYS   1  21.149  12.124   0.552
   15    HZ3  LYS   1           HZ3      LYS   1  22.627  11.502   1.114
   16    H    TRP   2           HN       TRP   2  18.622   5.316  -1.013
   17    HA   TRP   2           HA       TRP   2  15.973   5.629  -2.317
   18    HB2  TRP   2           HB2      TRP   2  17.924   3.312  -2.291
   19    HB3  TRP   2           HB1      TRP   2  16.299   3.236  -2.974
   20    HD1  TRP   2           HD1      TRP   2  19.710   4.869  -3.517
   21    HE1  TRP   2           HE1      TRP   2  19.813   5.792  -5.922
   22    HE3  TRP   2           HE3      TRP   2  14.875   4.096  -4.968
   23    HZ2  TRP   2           HZ2      TRP   2  18.076   6.153  -8.164
   24    HZ3  TRP   2           HZ3      TRP   2  14.127   4.738  -7.241
   25    HH2  TRP   2           HH2      TRP   2  15.718   5.764  -8.840
   26    H    CYS   3           HN       CYS   3  14.187   4.799  -1.353
   27    HA   CYS   3           HA       CYS   3  14.530   3.292   1.180
   28    HB2  CYS   3           HB2      CYS   3  12.525   5.491   0.623
   29    HB3  CYS   3           HB1      CYS   3  12.628   4.539   2.105
   30    H    PHE   4           HN       PHE   4  13.101   1.643   1.542
   31    HA   PHE   4           HA       PHE   4  10.911   1.200  -0.387
   32    HB2  PHE   4           HB2      PHE   4  13.025  -0.853   0.320
   33    HB3  PHE   4           HB1      PHE   4  11.586  -1.153  -0.655
   34    HD1  PHE   4           HD2      PHE   4  11.264   0.164  -2.809
   35    HD2  PHE   4           HD1      PHE   4  14.975   0.103  -0.646
   36    HE1  PHE   4           HE2      PHE   4  12.454   0.976  -4.828
   37    HE2  PHE   4           HE1      PHE   4  16.165   0.913  -2.664
   38    HZ   PHE   4           HZ       PHE   4  14.903   1.352  -4.756
   39    H    ARG   5           HN       ARG   5   9.258  -0.194   0.377
   40    HA   ARG   5           HA       ARG   5   9.391  -1.028   3.200
   41    HB2  ARG   5           HB2      ARG   5   7.246   0.025   3.704
   42    HB3  ARG   5           HB1      ARG   5   8.407   1.245   3.182
   43    HG2  ARG   5           HG2      ARG   5   7.454   1.085   0.869
   44    HG3  ARG   5           HG1      ARG   5   6.220  -0.007   1.497
   45    HD2  ARG   5           HD2      ARG   5   5.483   1.743   3.079
   46    HD3  ARG   5           HD1      ARG   5   6.690   2.840   2.414
   47    HE   ARG   5           HE       ARG   5   4.907   1.756   0.418
   48   HH11  ARG   5          HH21      ARG   5   5.410   4.202   2.814
   49   HH12  ARG   5          HH22      ARG   5   4.330   5.337   2.078
   50   HH21  ARG   5          HH11      ARG   5   3.492   3.238  -0.552
   51   HH22  ARG   5          HH12      ARG   5   3.244   4.794   0.173
   52    H    VAL   6           HN       VAL   6   8.440  -2.941   3.555
   53    HA   VAL   6           HA       VAL   6   6.378  -3.945   1.718
   54    HB   VAL   6           HB       VAL   6   8.393  -4.762   0.671
   55   HG11  VAL   6          HG11      VAL   6  10.083  -6.020   1.905
   56   HG12  VAL   6          HG12      VAL   6   9.150  -5.864   3.392
   57   HG13  VAL   6          HG13      VAL   6   9.871  -4.437   2.650
   58   HG21  VAL   6          HG21      VAL   6   6.405  -6.339   1.098
   59   HG22  VAL   6          HG22      VAL   6   7.391  -7.054   2.373
   60   HG23  VAL   6          HG23      VAL   6   7.944  -7.100   0.698
   61    H    CYS   7           HN       CYS   7   4.944  -5.324   2.693
   62    HA   CYS   7           HA       CYS   7   5.134  -5.564   5.600
   63    HB2  CYS   7           HB2      CYS   7   2.965  -6.058   3.569
   64    HB3  CYS   7           HB1      CYS   7   2.804  -6.646   5.225
   65    H    TYR   8           HN       TYR   8   6.390  -7.208   6.294
   66    HA   TYR   8           HA       TYR   8   6.213  -9.829   4.922
   67    HB2  TYR   8           HB2      TYR   8   8.473  -8.864   5.099
   68    HB3  TYR   8           HB1      TYR   8   8.301  -8.789   6.852
   69    HD1  TYR   8           HD1      TYR   8   7.833 -11.281   4.070
   70    HD2  TYR   8           HD2      TYR   8   9.215 -10.566   8.076
   71    HE1  TYR   8           HE1      TYR   8   8.582 -13.637   4.237
   72    HE2  TYR   8           HE2      TYR   8   9.957 -12.922   8.242
   73    HH   TYR   8           HH       TYR   8  10.127 -14.870   7.207
   74    H    ARG   9           HN       ARG   9   5.343  -8.145   7.781
   75    HA   ARG   9           HA       ARG   9   4.394 -10.673   8.994
   76    HB2  ARG   9           HB2      ARG   9   5.787  -8.417  10.463
   77    HB3  ARG   9           HB1      ARG   9   5.031  -9.821  11.221
   78    HG2  ARG   9           HG2      ARG   9   6.549 -11.316   9.997
   79    HG3  ARG   9           HG1      ARG   9   7.293  -9.927   9.210
   80    HD2  ARG   9           HD2      ARG   9   8.694 -10.587  11.076
   81    HD3  ARG   9           HD1      ARG   9   7.928  -9.050  11.463
   82    HE   ARG   9           HE       ARG   9   6.663 -10.129  13.113
   83   HH11  ARG   9          HH21      ARG   9   8.396 -12.373  11.125
   84   HH12  ARG   9          HH22      ARG   9   8.086 -13.734  12.152
   85   HH21  ARG   9          HH11      ARG   9   6.256 -11.908  14.464
   86   HH22  ARG   9          HH12      ARG   9   6.875 -13.471  14.041
   87    H    GLY  10           HN       GLY  10   3.207  -8.380   7.428
   88    HA2  GLY  10           HA2      GLY  10   0.938  -7.702   7.486
   89    HA3  GLY  10           HA1      GLY  10   0.935  -7.898   9.235
   90    H    ILE  11           HN       ILE  11   3.733  -6.428   8.833
   91    HA   ILE  11           HA       ILE  11   2.610  -3.674   8.862
   92    HB   ILE  11           HB       ILE  11   4.911  -4.810  10.473
   93   HG12  ILE  11          HG12      ILE  11   2.250  -3.699  11.409
   94   HG13  ILE  11          HG11      ILE  11   2.549  -5.420  11.179
   95   HG21  ILE  11          HG21      ILE  11   4.729  -2.500  11.570
   96   HG22  ILE  11          HG22      ILE  11   3.759  -2.027  10.174
   97   HG23  ILE  11          HG23      ILE  11   5.433  -2.537   9.953
   98   HD11  ILE  11          HD11      ILE  11   4.315  -5.402  12.834
   99   HD12  ILE  11          HD12      ILE  11   2.894  -4.641  13.548
  100   HD13  ILE  11          HD13      ILE  11   4.230  -3.645  12.969
  101    H    CYS  12           HN       CYS  12   3.448  -2.329   7.387
  102    HA   CYS  12           HA       CYS  12   5.728  -3.234   5.774
  103    HB2  CYS  12           HB2      CYS  12   3.577  -1.165   5.441
  104    HB3  CYS  12           HB1      CYS  12   5.056  -1.053   4.483
  105    H    TYR  13           HN       TYR  13   7.484  -2.879   7.128
  106    HA   TYR  13           HA       TYR  13   7.918  -0.279   8.341
  107    HB2  TYR  13           HB2      TYR  13   8.690  -2.294   9.489
  108    HB3  TYR  13           HB1      TYR  13   9.733  -2.689   8.124
  109    HD1  TYR  13           HD1      TYR  13   9.085  -0.142  10.762
  110    HD2  TYR  13           HD2      TYR  13  11.869  -1.668   7.869
  111    HE1  TYR  13           HE1      TYR  13  10.856   1.319  11.697
  112    HE2  TYR  13           HE2      TYR  13  13.641  -0.207   8.804
  113    HH   TYR  13           HH       TYR  13  14.194   1.158  10.494
  114    H    ARG  14           HN       ARG  14   9.212   1.307   7.617
  115    HA   ARG  14           HA       ARG  14  10.192   1.105   4.857
  116    HB2  ARG  14           HB2      ARG  14  10.432   3.539   4.996
  117    HB3  ARG  14           HB1      ARG  14   8.814   3.048   5.491
  118    HG2  ARG  14           HG2      ARG  14   9.520   3.167   7.868
  119    HG3  ARG  14           HG1      ARG  14  11.115   3.719   7.353
  120    HD2  ARG  14           HD2      ARG  14  10.072   5.671   6.248
  121    HD3  ARG  14           HD1      ARG  14   8.493   5.135   6.813
  122    HE   ARG  14           HE       ARG  14  10.400   5.436   8.952
  123   HH11  ARG  14          HH21      ARG  14   8.156   7.035   6.861
  124   HH12  ARG  14          HH22      ARG  14   7.856   8.344   7.955
  125   HH21  ARG  14          HH11      ARG  14  10.012   7.147  10.393
  126   HH22  ARG  14          HH12      ARG  14   8.908   8.408   9.955
  127    H    ARG  15           HN       ARG  15  12.305   1.242   4.272
  128    HA   ARG  15           HA       ARG  15  14.345   1.709   6.354
  129    HB2  ARG  15           HB2      ARG  15  14.004  -0.745   6.162
  130    HB3  ARG  15           HB1      ARG  15  14.381  -0.640   4.443
  131    HG2  ARG  15           HG2      ARG  15  16.614   0.247   4.969
  132    HG3  ARG  15           HG1      ARG  15  16.240   0.191   6.691
  133    HD2  ARG  15           HD2      ARG  15  16.195  -2.230   4.874
  134    HD3  ARG  15           HD1      ARG  15  17.570  -1.780   5.875
  135    HE   ARG  15           HE       ARG  15  15.316  -1.894   7.537
  136   HH11  ARG  15          HH21      ARG  15  17.249  -3.953   5.541
  137   HH12  ARG  15          HH22      ARG  15  16.977  -5.369   6.501
  138   HH21  ARG  15          HH11      ARG  15  14.955  -3.745   8.802
  139   HH22  ARG  15          HH12      ARG  15  15.678  -5.250   8.347
  140    H    CYS  16           HN       CYS  16  15.960   2.960   5.667
  141    HA   CYS  16           HA       CYS  16  16.250   3.457   2.750
  142    HB2  CYS  16           HB2      CYS  16  16.714   5.357   5.061
  143    HB3  CYS  16           HB1      CYS  16  16.983   5.726   3.359
  144    H    ARG  17           HN       ARG  17  18.257   3.315   1.894
  145    HA   ARG  17           HA       ARG  17  20.410   2.328   3.649
  146    HB2  ARG  17           HB2      ARG  17  20.114   2.331   0.635
  147    HB3  ARG  17           HB1      ARG  17  21.500   1.679   1.509
  148    HG2  ARG  17           HG2      ARG  17  20.045   0.086   2.675
  149    HG3  ARG  17           HG1      ARG  17  18.631   0.762   1.865
  150    HD2  ARG  17           HD2      ARG  17  19.326  -1.257   0.692
  151    HD3  ARG  17           HD1      ARG  17  19.638   0.144  -0.330
  152    HE   ARG  17           HE       ARG  17  21.936  -0.226  -0.078
  153   HH11  ARG  17          HH21      ARG  17  20.065  -2.201   2.060
  154   HH12  ARG  17          HH22      ARG  17  21.398  -3.212   2.515
  155   HH21  ARG  17          HH11      ARG  17  23.688  -1.547   0.514
  156   HH22  ARG  17          HH12      ARG  17  23.449  -2.841   1.639
  157    HN1  NH2  18           HN1      NH2  18  19.468   5.244   2.105
  158    HN2  NH2  18           HN2      NH2  18  20.975   6.019   2.165
  Start of MODEL   13
    1    H1   LYS   1           HT1      LYS   1  20.341   5.141  -2.342
    2    H2   LYS   1           HT2      LYS   1  21.559   6.317  -2.213
    3    H3   LYS   1           HT3      LYS   1  20.358   6.463  -3.405
    4    HA   LYS   1           HA       LYS   1  19.953   6.641  -0.472
    5    HB2  LYS   1           HB2      LYS   1  19.341   8.990  -1.001
    6    HB3  LYS   1           HB1      LYS   1  21.014   8.634  -1.427
    7    HG2  LYS   1           HG2      LYS   1  20.334   8.259  -3.774
    8    HG3  LYS   1           HG1      LYS   1  18.668   8.641  -3.352
    9    HD2  LYS   1           HD2      LYS   1  19.360  10.894  -2.629
   10    HD3  LYS   1           HD1      LYS   1  21.030  10.517  -3.057
   11    HE2  LYS   1           HE2      LYS   1  20.363  10.166  -5.400
   12    HE3  LYS   1           HE1      LYS   1  18.685  10.518  -4.982
   13    HZ1  LYS   1           HZ1      LYS   1  20.986  12.333  -5.124
   14    HZ2  LYS   1           HZ2      LYS   1  19.737  12.685  -4.028
   15    HZ3  LYS   1           HZ3      LYS   1  19.402  12.555  -5.689
   16    H    TRP   2           HN       TRP   2  18.637   4.680  -1.981
   17    HA   TRP   2           HA       TRP   2  15.938   5.808  -2.454
   18    HB2  TRP   2           HB2      TRP   2  17.219   3.218  -3.354
   19    HB3  TRP   2           HB1      TRP   2  15.518   3.617  -3.600
   20    HD1  TRP   2           HD1      TRP   2  19.014   4.525  -4.760
   21    HE1  TRP   2           HE1      TRP   2  18.847   6.019  -6.853
   22    HE3  TRP   2           HE3      TRP   2  13.981   5.371  -4.834
   23    HZ2  TRP   2           HZ2      TRP   2  16.840   7.394  -8.361
   24    HZ3  TRP   2           HZ3      TRP   2  12.969   6.776  -6.606
   25    HH2  TRP   2           HH2      TRP   2  14.390   7.787  -8.368
   26    H    CYS   3           HN       CYS   3  14.235   5.162  -1.250
   27    HA   CYS   3           HA       CYS   3  14.808   3.467   1.092
   28    HB2  CYS   3           HB2      CYS   3  12.337   5.126   0.561
   29    HB3  CYS   3           HB1      CYS   3  12.889   4.471   2.103
   30    H    PHE   4           HN       PHE   4  13.137   1.917   1.768
   31    HA   PHE   4           HA       PHE   4  11.561   0.787  -0.476
   32    HB2  PHE   4           HB2      PHE   4  13.340  -0.700   1.472
   33    HB3  PHE   4           HB1      PHE   4  12.162  -1.480   0.414
   34    HD1  PHE   4           HD2      PHE   4  12.446  -1.448  -2.034
   35    HD2  PHE   4           HD1      PHE   4  15.383   0.269   0.589
   36    HE1  PHE   4           HE2      PHE   4  14.079  -1.396  -3.899
   37    HE2  PHE   4           HE1      PHE   4  17.016   0.321  -1.276
   38    HZ   PHE   4           HZ       PHE   4  16.365  -0.511  -3.519
   39    H    ARG   5           HN       ARG   5   9.658  -0.270   0.100
   40    HA   ARG   5           HA       ARG   5   8.828  -0.236   2.926
   41    HB2  ARG   5           HB2      ARG   5   8.090   1.920   1.951
   42    HB3  ARG   5           HB1      ARG   5   7.220   1.039   0.696
   43    HG2  ARG   5           HG2      ARG   5   5.813  -0.044   2.384
   44    HG3  ARG   5           HG1      ARG   5   6.719   0.750   3.673
   45    HD2  ARG   5           HD2      ARG   5   6.001   2.946   2.861
   46    HD3  ARG   5           HD1      ARG   5   5.157   2.191   1.512
   47    HE   ARG   5           HE       ARG   5   3.452   1.551   2.977
   48   HH11  ARG   5          HH21      ARG   5   6.215   2.766   4.666
   49   HH12  ARG   5          HH22      ARG   5   5.408   2.870   6.195
   50   HH21  ARG   5          HH11      ARG   5   2.386   1.685   4.980
   51   HH22  ARG   5          HH12      ARG   5   3.241   2.257   6.372
   52    H    VAL   6           HN       VAL   6   8.816  -2.481   2.934
   53    HA   VAL   6           HA       VAL   6   6.664  -3.743   1.325
   54    HB   VAL   6           HB       VAL   6   9.445  -4.811   1.872
   55   HG11  VAL   6          HG11      VAL   6   6.936  -6.172   0.870
   56   HG12  VAL   6          HG12      VAL   6   7.986  -6.670   2.197
   57   HG13  VAL   6          HG13      VAL   6   8.547  -6.801   0.528
   58   HG21  VAL   6          HG21      VAL   6   9.157  -3.257  -0.063
   59   HG22  VAL   6          HG22      VAL   6   7.922  -4.337  -0.710
   60   HG23  VAL   6          HG23      VAL   6   9.590  -4.891  -0.566
   61    H    CYS   7           HN       CYS   7   5.267  -4.936   2.486
   62    HA   CYS   7           HA       CYS   7   5.797  -5.277   5.370
   63    HB2  CYS   7           HB2      CYS   7   3.624  -4.236   4.232
   64    HB3  CYS   7           HB1      CYS   7   3.141  -5.929   4.145
   65    H    TYR   8           HN       TYR   8   6.108  -7.228   6.273
   66    HA   TYR   8           HA       TYR   8   6.156  -9.582   4.510
   67    HB2  TYR   8           HB2      TYR   8   7.252  -9.101   7.290
   68    HB3  TYR   8           HB1      TYR   8   7.378 -10.629   6.420
   69    HD1  TYR   8           HD2      TYR   8   8.644 -10.740   4.262
   70    HD2  TYR   8           HD1      TYR   8   8.649  -7.231   6.740
   71    HE1  TYR   8           HE2      TYR   8  10.638  -9.891   3.057
   72    HE2  TYR   8           HE1      TYR   8  10.644  -6.383   5.538
   73    HH   TYR   8           HH       TYR   8  11.894  -8.009   2.678
   74    H    ARG   9           HN       ARG   9   5.520  -9.443   7.990
   75    HA   ARG   9           HA       ARG   9   3.044 -11.025   7.554
   76    HB2  ARG   9           HB2      ARG   9   5.027 -11.009   9.836
   77    HB3  ARG   9           HB1      ARG   9   3.449 -11.791   9.929
   78    HG2  ARG   9           HG2      ARG   9   4.010 -13.189   7.988
   79    HG3  ARG   9           HG1      ARG   9   5.576 -12.393   7.853
   80    HD2  ARG   9           HD2      ARG   9   6.198 -13.201  10.090
   81    HD3  ARG   9           HD1      ARG   9   4.623 -13.973  10.258
   82    HE   ARG   9           HE       ARG   9   5.332 -15.664   8.802
   83   HH11  ARG   9          HH21      ARG   9   7.558 -13.018   8.898
   84   HH12  ARG   9          HH22      ARG   9   8.817 -13.865   8.061
   85   HH21  ARG   9          HH11      ARG   9   6.978 -16.783   7.705
   86   HH22  ARG   9          HH12      ARG   9   8.488 -15.997   7.386
   87    H    GLY  10           HN       GLY  10   2.817  -8.314   7.286
   88    HA2  GLY  10           HA2      GLY  10   1.153  -6.818   8.000
   89    HA3  GLY  10           HA1      GLY  10   1.088  -7.652   9.550
   90    H    ILE  11           HN       ILE  11   4.283  -7.241   8.873
   91    HA   ILE  11           HA       ILE  11   4.464  -4.875  10.621
   92    HB   ILE  11           HB       ILE  11   6.939  -5.550  10.633
   93   HG12  ILE  11          HG12      ILE  11   5.814  -8.145   9.547
   94   HG13  ILE  11          HG11      ILE  11   6.671  -6.980   8.539
   95   HG21  ILE  11          HG21      ILE  11   4.908  -7.552  11.667
   96   HG22  ILE  11          HG22      ILE  11   5.327  -6.038  12.466
   97   HG23  ILE  11          HG23      ILE  11   6.540  -7.307  12.289
   98   HD11  ILE  11          HD11      ILE  11   8.664  -7.175   9.912
   99   HD12  ILE  11          HD12      ILE  11   8.154  -8.795   9.437
  100   HD13  ILE  11          HD13      ILE  11   7.815  -8.204  11.064
  101    H    CYS  12           HN       CYS  12   3.687  -3.586   8.712
  102    HA   CYS  12           HA       CYS  12   5.550  -3.224   6.527
  103    HB2  CYS  12           HB2      CYS  12   3.344  -1.270   7.073
  104    HB3  CYS  12           HB1      CYS  12   3.897  -1.941   5.538
  105    H    TYR  13           HN       TYR  13   7.348  -2.076   6.707
  106    HA   TYR  13           HA       TYR  13   7.317   0.473   8.168
  107    HB2  TYR  13           HB2      TYR  13   9.254  -1.783   8.724
  108    HB3  TYR  13           HB1      TYR  13   9.497  -0.120   9.258
  109    HD1  TYR  13           HD2      TYR  13   7.848   0.945  10.816
  110    HD2  TYR  13           HD1      TYR  13   7.701  -3.236   9.838
  111    HE1  TYR  13           HE2      TYR  13   6.388   0.536  12.779
  112    HE2  TYR  13           HE1      TYR  13   6.243  -3.644  11.802
  113    HH   TYR  13           HH       TYR  13   5.890  -2.370  14.124
  114    H    ARG  14           HN       ARG  14   8.749   1.978   7.388
  115    HA   ARG  14           HA       ARG  14   9.735   1.517   4.711
  116    HB2  ARG  14           HB2      ARG  14   9.911   3.915   6.552
  117    HB3  ARG  14           HB1      ARG  14  10.473   3.898   4.880
  118    HG2  ARG  14           HG2      ARG  14   8.208   3.342   4.104
  119    HG3  ARG  14           HG1      ARG  14   7.635   3.316   5.772
  120    HD2  ARG  14           HD2      ARG  14   8.921   5.735   4.484
  121    HD3  ARG  14           HD1      ARG  14   7.179   5.478   4.552
  122    HE   ARG  14           HE       ARG  14   8.185   5.220   7.159
  123   HH11  ARG  14          HH21      ARG  14   7.864   7.581   4.652
  124   HH12  ARG  14          HH22      ARG  14   7.730   8.922   5.740
  125   HH21  ARG  14          HH11      ARG  14   8.009   6.970   8.593
  126   HH22  ARG  14          HH12      ARG  14   7.812   8.575   7.974
  127    H    ARG  15           HN       ARG  15  11.864   1.457   4.037
  128    HA   ARG  15           HA       ARG  15  13.961   1.412   6.126
  129    HB2  ARG  15           HB2      ARG  15  13.333  -0.916   5.555
  130    HB3  ARG  15           HB1      ARG  15  13.674  -0.583   3.859
  131    HG2  ARG  15           HG2      ARG  15  15.592  -1.704   4.916
  132    HG3  ARG  15           HG1      ARG  15  16.031  -0.066   4.438
  133    HD2  ARG  15           HD2      ARG  15  16.110   0.697   6.638
  134    HD3  ARG  15           HD1      ARG  15  14.972  -0.517   7.217
  135    HE   ARG  15           HE       ARG  15  17.073  -2.047   6.536
  136   HH11  ARG  15          HH21      ARG  15  16.831   0.939   8.271
  137   HH12  ARG  15          HH22      ARG  15  18.204   0.626   9.278
  138   HH21  ARG  15          HH11      ARG  15  18.875  -2.466   7.858
  139   HH22  ARG  15          HH12      ARG  15  19.361  -1.302   9.043
  140    H    CYS  16           HN       CYS  16  15.533   2.794   5.657
  141    HA   CYS  16           HA       CYS  16  16.352   3.204   2.870
  142    HB2  CYS  16           HB2      CYS  16  14.558   4.945   3.859
  143    HB3  CYS  16           HB1      CYS  16  16.022   5.698   4.487
  144    H    ARG  17           HN       ARG  17  18.407   4.336   2.698
  145    HA   ARG  17           HA       ARG  17  20.011   4.864   5.001
  146    HB2  ARG  17           HB2      ARG  17  19.970   2.386   5.102
  147    HB3  ARG  17           HB1      ARG  17  20.652   2.329   3.476
  148    HG2  ARG  17           HG2      ARG  17  22.649   3.518   4.235
  149    HG3  ARG  17           HG1      ARG  17  21.963   3.685   5.850
  150    HD2  ARG  17           HD2      ARG  17  23.508   1.809   5.848
  151    HD3  ARG  17           HD1      ARG  17  21.866   1.197   6.023
  152    HE   ARG  17           HE       ARG  17  22.624   1.265   3.274
  153   HH11  ARG  17          HH21      ARG  17  23.082  -0.428   6.259
  154   HH12  ARG  17          HH22      ARG  17  23.469  -1.938   5.503
  155   HH21  ARG  17          HH11      ARG  17  23.133  -0.714   2.277
  156   HH22  ARG  17          HH12      ARG  17  23.497  -2.099   3.249
  157    HN1  NH2  18           HN1      NH2  18  19.803   4.283   1.518
  158    HN2  NH2  18           HN2      NH2  18  21.096   5.301   1.103
  Start of MODEL   14
    1    H1   LYS   1           HT1      LYS   1  19.625   7.025  -2.733
    2    H2   LYS   1           HT2      LYS   1  18.660   6.851  -1.345
    3    H3   LYS   1           HT3      LYS   1  19.310   8.369  -1.746
    4    HA   LYS   1           HA       LYS   1  17.150   8.593  -2.460
    5    HB2  LYS   1           HB2      LYS   1  18.818   7.511  -4.742
    6    HB3  LYS   1           HB1      LYS   1  17.245   8.270  -4.975
    7    HG2  LYS   1           HG2      LYS   1  18.059  10.323  -3.891
    8    HG3  LYS   1           HG1      LYS   1  19.631   9.567  -3.630
    9    HD2  LYS   1           HD2      LYS   1  19.984   9.358  -6.030
   10    HD3  LYS   1           HD1      LYS   1  18.364   9.978  -6.351
   11    HE2  LYS   1           HE2      LYS   1  20.041  11.758  -6.635
   12    HE3  LYS   1           HE1      LYS   1  18.975  12.120  -5.276
   13    HZ1  LYS   1           HZ1      LYS   1  21.426  10.608  -4.752
   14    HZ2  LYS   1           HZ2      LYS   1  20.606  11.719  -3.763
   15    HZ3  LYS   1           HZ3      LYS   1  21.569  12.272  -5.050
   16    H    TRP   2           HN       TRP   2  18.223   5.448  -2.107
   17    HA   TRP   2           HA       TRP   2  15.669   4.293  -3.089
   18    HB2  TRP   2           HB2      TRP   2  18.205   2.770  -2.493
   19    HB3  TRP   2           HB1      TRP   2  16.797   2.231  -3.408
   20    HD1  TRP   2           HD1      TRP   2  16.276   4.049  -5.610
   21    HE1  TRP   2           HE1      TRP   2  18.016   4.816  -7.351
   22    HE3  TRP   2           HE3      TRP   2  20.570   3.108  -3.029
   23    HZ2  TRP   2           HZ2      TRP   2  20.862   5.007  -7.612
   24    HZ3  TRP   2           HZ3      TRP   2  22.782   3.589  -4.039
   25    HH2  TRP   2           HH2      TRP   2  22.933   4.536  -6.326
   26    H    CYS   3           HN       CYS   3  14.452   3.059  -1.716
   27    HA   CYS   3           HA       CYS   3  15.432   2.605   1.026
   28    HB2  CYS   3           HB2      CYS   3  14.096   4.736   0.949
   29    HB3  CYS   3           HB1      CYS   3  12.707   3.778   0.438
   30    H    PHE   4           HN       PHE   4  14.451   0.866   2.091
   31    HA   PHE   4           HA       PHE   4  12.982  -0.993   0.311
   32    HB2  PHE   4           HB2      PHE   4  14.605  -1.571   2.801
   33    HB3  PHE   4           HB1      PHE   4  13.831  -2.769   1.765
   34    HD1  PHE   4           HD2      PHE   4  14.522  -2.886  -0.691
   35    HD2  PHE   4           HD1      PHE   4  16.753  -0.716   2.271
   36    HE1  PHE   4           HE2      PHE   4  16.505  -2.891  -2.180
   37    HE2  PHE   4           HE1      PHE   4  18.736  -0.721   0.781
   38    HZ   PHE   4           HZ       PHE   4  18.612  -1.809  -1.444
   39    H    ARG   5           HN       ARG   5  10.855  -0.927   0.678
   40    HA   ARG   5           HA       ARG   5   9.924  -1.091   3.471
   41    HB2  ARG   5           HB2      ARG   5   9.706   1.274   2.750
   42    HB3  ARG   5           HB1      ARG   5   8.707   0.749   1.395
   43    HG2  ARG   5           HG2      ARG   5   7.069  -0.225   2.964
   44    HG3  ARG   5           HG1      ARG   5   8.073   0.274   4.324
   45    HD2  ARG   5           HD2      ARG   5   7.835   2.644   3.554
   46    HD3  ARG   5           HD1      ARG   5   6.712   2.088   2.315
   47    HE   ARG   5           HE       ARG   5   6.196   2.265   5.181
   48   HH11  ARG   5          HH21      ARG   5   5.269   1.025   2.084
   49   HH12  ARG   5          HH22      ARG   5   3.626   0.732   2.540
   50   HH21  ARG   5          HH11      ARG   5   4.040   1.882   5.784
   51   HH22  ARG   5          HH12      ARG   5   2.929   1.216   4.633
   52    H    VAL   6           HN       VAL   6   9.345  -3.238   3.268
   53    HA   VAL   6           HA       VAL   6   7.116  -3.813   1.395
   54    HB   VAL   6           HB       VAL   6   9.504  -5.552   2.054
   55   HG11  VAL   6          HG11      VAL   6   8.277  -7.190   0.493
   56   HG12  VAL   6          HG12      VAL   6   6.833  -6.227   0.808
   57   HG13  VAL   6          HG13      VAL   6   7.653  -7.046   2.137
   58   HG21  VAL   6          HG21      VAL   6   8.354  -4.415  -0.513
   59   HG22  VAL   6          HG22      VAL   6   9.664  -5.593  -0.455
   60   HG23  VAL   6          HG23      VAL   6   9.891  -3.986   0.234
   61    H    CYS   7           HN       CYS   7   5.364  -4.691   2.320
   62    HA   CYS   7           HA       CYS   7   5.439  -5.272   5.202
   63    HB2  CYS   7           HB2      CYS   7   3.090  -5.059   3.301
   64    HB3  CYS   7           HB1      CYS   7   2.998  -5.202   5.056
   65    H    TYR   8           HN       TYR   8   5.406  -7.309   5.971
   66    HA   TYR   8           HA       TYR   8   5.184  -9.524   4.067
   67    HB2  TYR   8           HB2      TYR   8   6.998  -9.304   5.888
   68    HB3  TYR   8           HB1      TYR   8   5.734  -9.775   7.023
   69    HD1  TYR   8           HD2      TYR   8   4.571 -11.993   6.748
   70    HD2  TYR   8           HD1      TYR   8   7.993 -10.886   4.399
   71    HE1  TYR   8           HE2      TYR   8   4.904 -14.367   6.115
   72    HE2  TYR   8           HE1      TYR   8   8.324 -13.260   3.764
   73    HH   TYR   8           HH       TYR   8   6.642 -15.373   3.606
   74    H    ARG   9           HN       ARG   9   3.661  -8.437   7.093
   75    HA   ARG   9           HA       ARG   9   1.111  -9.486   6.297
   76    HB2  ARG   9           HB2      ARG   9   0.906 -11.095   8.186
   77    HB3  ARG   9           HB1      ARG   9   2.107 -11.589   6.993
   78    HG2  ARG   9           HG2      ARG   9   3.878 -10.537   8.436
   79    HG3  ARG   9           HG1      ARG   9   2.643 -10.251   9.660
   80    HD2  ARG   9           HD2      ARG   9   3.350 -12.969   8.523
   81    HD3  ARG   9           HD1      ARG   9   3.907 -12.352  10.077
   82    HE   ARG   9           HE       ARG   9   1.238 -13.318   9.447
   83   HH11  ARG   9          HH21      ARG   9   3.262 -11.442  11.535
   84   HH12  ARG   9          HH22      ARG   9   2.184 -11.529  12.887
   85   HH21  ARG   9          HH11      ARG   9  -0.183 -13.433  11.213
   86   HH22  ARG   9          HH12      ARG   9   0.232 -12.657  12.705
   87    H    GLY  10           HN       GLY  10   1.898  -6.947   6.953
   88    HA2  GLY  10           HA2      GLY  10   0.560  -5.335   8.145
   89    HA3  GLY  10           HA1      GLY  10   0.434  -6.470   9.488
   90    H    ILE  11           HN       ILE  11   3.409  -7.069   8.965
   91    HA   ILE  11           HA       ILE  11   4.425  -5.009  10.779
   92    HB   ILE  11           HB       ILE  11   6.511  -6.495  10.671
   93   HG12  ILE  11          HG12      ILE  11   4.556  -8.446   9.423
   94   HG13  ILE  11          HG11      ILE  11   5.763  -7.569   8.483
   95   HG21  ILE  11          HG21      ILE  11   4.997  -6.598  12.561
   96   HG22  ILE  11          HG22      ILE  11   5.422  -8.247  12.104
   97   HG23  ILE  11          HG23      ILE  11   3.855  -7.581  11.645
   98   HD11  ILE  11          HD11      ILE  11   7.568  -8.618   9.611
   99   HD12  ILE  11          HD12      ILE  11   6.417  -9.920   9.306
  100   HD13  ILE  11          HD13      ILE  11   6.525  -9.196  10.912
  101    H    CYS  12           HN       CYS  12   4.104  -3.414   8.949
  102    HA   CYS  12           HA       CYS  12   5.918  -3.520   6.723
  103    HB2  CYS  12           HB2      CYS  12   4.318  -1.204   7.839
  104    HB3  CYS  12           HB1      CYS  12   5.136  -1.234   6.277
  105    H    TYR  13           HN       TYR  13   7.991  -2.978   6.712
  106    HA   TYR  13           HA       TYR  13   9.053  -1.261   8.890
  107    HB2  TYR  13           HB2      TYR  13  10.334  -3.566   7.413
  108    HB3  TYR  13           HB1      TYR  13  11.235  -2.437   8.424
  109    HD1  TYR  13           HD2      TYR  13  10.158  -2.001  10.821
  110    HD2  TYR  13           HD1      TYR  13   9.491  -5.506   8.428
  111    HE1  TYR  13           HE2      TYR  13   9.493  -3.260  12.851
  112    HE2  TYR  13           HE1      TYR  13   8.828  -6.765  10.461
  113    HH   TYR  13           HH       TYR  13   8.065  -6.420  12.665
  114    H    ARG  14           HN       ARG  14  10.698   0.210   8.339
  115    HA   ARG  14           HA       ARG  14  10.945   0.838   5.453
  116    HB2  ARG  14           HB2      ARG  14  10.863   3.224   6.041
  117    HB3  ARG  14           HB1      ARG  14   9.377   2.408   6.526
  118    HG2  ARG  14           HG2      ARG  14  10.290   2.182   8.834
  119    HG3  ARG  14           HG1      ARG  14  11.716   3.091   8.334
  120    HD2  ARG  14           HD2      ARG  14  10.180   4.629   9.390
  121    HD3  ARG  14           HD1      ARG  14  10.211   4.978   7.664
  122    HE   ARG  14           HE       ARG  14   8.135   3.132   8.205
  123   HH11  ARG  14          HH21      ARG  14   9.059   6.426   8.725
  124   HH12  ARG  14          HH22      ARG  14   7.433   7.019   8.769
  125   HH21  ARG  14          HH11      ARG  14   6.001   3.901   8.261
  126   HH22  ARG  14          HH12      ARG  14   5.702   5.589   8.506
  127    H    ARG  15           HN       ARG  15  12.954   1.325   4.754
  128    HA   ARG  15           HA       ARG  15  15.080   1.936   6.683
  129    HB2  ARG  15           HB2      ARG  15  15.039  -0.543   6.516
  130    HB3  ARG  15           HB1      ARG  15  15.275  -0.407   4.773
  131    HG2  ARG  15           HG2      ARG  15  17.409   0.760   5.132
  132    HG3  ARG  15           HG1      ARG  15  17.170   0.679   6.878
  133    HD2  ARG  15           HD2      ARG  15  17.093  -1.821   6.686
  134    HD3  ARG  15           HD1      ARG  15  17.511  -1.660   4.982
  135    HE   ARG  15           HE       ARG  15  19.406  -0.242   6.518
  136   HH11  ARG  15          HH21      ARG  15  18.310  -3.457   5.863
  137   HH12  ARG  15          HH22      ARG  15  19.849  -4.192   6.162
  138   HH21  ARG  15          HH11      ARG  15  21.428  -1.197   6.912
  139   HH22  ARG  15          HH12      ARG  15  21.616  -2.911   6.756
  140    H    CYS  16           HN       CYS  16  15.094   3.972   5.652
  141    HA   CYS  16           HA       CYS  16  16.002   4.003   2.831
  142    HB2  CYS  16           HB2      CYS  16  15.108   6.417   4.396
  143    HB3  CYS  16           HB1      CYS  16  15.119   6.166   2.650
  144    H    ARG  17           HN       ARG  17  17.969   4.757   2.301
  145    HA   ARG  17           HA       ARG  17  19.778   5.537   4.498
  146    HB2  ARG  17           HB2      ARG  17  20.266   4.512   1.699
  147    HB3  ARG  17           HB1      ARG  17  21.553   5.136   2.732
  148    HG2  ARG  17           HG2      ARG  17  21.013   3.465   4.448
  149    HG3  ARG  17           HG1      ARG  17  19.691   2.854   3.454
  150    HD2  ARG  17           HD2      ARG  17  21.286   2.243   1.686
  151    HD3  ARG  17           HD1      ARG  17  22.615   2.874   2.655
  152    HE   ARG  17           HE       ARG  17  21.178   0.371   3.088
  153   HH11  ARG  17          HH21      ARG  17  23.315   2.801   4.316
  154   HH12  ARG  17          HH22      ARG  17  24.023   1.770   5.514
  155   HH21  ARG  17          HH11      ARG  17  22.101  -0.987   4.656
  156   HH22  ARG  17          HH12      ARG  17  23.335  -0.375   5.707
  157    HN1  NH2  18           HN1      NH2  18  17.987   6.986   1.968
  158    HN2  NH2  18           HN2      NH2  18  18.867   8.434   1.872
  Start of MODEL   15
    1    H1   LYS   1           HT1      LYS   1  19.528   7.936  -1.437
    2    H2   LYS   1           HT2      LYS   1  19.813   8.072  -3.106
    3    H3   LYS   1           HT3      LYS   1  18.961   6.736  -2.492
    4    HA   LYS   1           HA       LYS   1  17.698   9.129  -1.677
    5    HB2  LYS   1           HB2      LYS   1  18.222   8.759  -4.639
    6    HB3  LYS   1           HB1      LYS   1  16.948   9.791  -3.991
    7    HG2  LYS   1           HG2      LYS   1  18.602  11.137  -2.790
    8    HG3  LYS   1           HG1      LYS   1  19.894  10.068  -3.329
    9    HD2  LYS   1           HD2      LYS   1  19.985  11.897  -4.834
   10    HD3  LYS   1           HD1      LYS   1  19.146  10.631  -5.726
   11    HE2  LYS   1           HE2      LYS   1  17.015  11.655  -5.368
   12    HE3  LYS   1           HE1      LYS   1  17.664  12.748  -4.146
   13    HZ1  LYS   1           HZ1      LYS   1  18.040  12.808  -7.068
   14    HZ2  LYS   1           HZ2      LYS   1  19.171  13.550  -6.039
   15    HZ3  LYS   1           HZ3      LYS   1  17.549  14.056  -6.029
   16    H    TRP   2           HN       TRP   2  17.975   5.965  -2.632
   17    HA   TRP   2           HA       TRP   2  15.065   5.608  -3.058
   18    HB2  TRP   2           HB2      TRP   2  17.445   3.878  -3.748
   19    HB3  TRP   2           HB1      TRP   2  15.779   3.305  -3.836
   20    HD1  TRP   2           HD1      TRP   2  18.273   5.557  -5.557
   21    HE1  TRP   2           HE1      TRP   2  17.268   6.416  -7.771
   22    HE3  TRP   2           HE3      TRP   2  13.463   3.935  -5.024
   23    HZ2  TRP   2           HZ2      TRP   2  14.751   6.415  -9.133
   24    HZ3  TRP   2           HZ3      TRP   2  11.783   4.378  -6.792
   25    HH2  TRP   2           HH2      TRP   2  12.420   5.616  -8.843
   26    H    CYS   3           HN       CYS   3  13.882   4.552  -1.583
   27    HA   CYS   3           HA       CYS   3  15.278   3.414   0.774
   28    HB2  CYS   3           HB2      CYS   3  13.656   5.388   1.035
   29    HB3  CYS   3           HB1      CYS   3  12.376   4.232   0.664
   30    H    PHE   4           HN       PHE   4  14.200   1.554   1.805
   31    HA   PHE   4           HA       PHE   4  12.737  -0.164  -0.124
   32    HB2  PHE   4           HB2      PHE   4  15.021  -0.949   1.698
   33    HB3  PHE   4           HB1      PHE   4  14.009  -2.094   0.819
   34    HD1  PHE   4           HD2      PHE   4  13.858  -1.878  -1.725
   35    HD2  PHE   4           HD1      PHE   4  16.848   0.119   0.626
   36    HE1  PHE   4           HE2      PHE   4  15.242  -1.561  -3.756
   37    HE2  PHE   4           HE1      PHE   4  18.233   0.435  -1.406
   38    HZ   PHE   4           HZ       PHE   4  17.431  -0.404  -3.597
   39    H    ARG   5           HN       ARG   5  11.171  -1.478   0.719
   40    HA   ARG   5           HA       ARG   5  10.776  -1.666   3.593
   41    HB2  ARG   5           HB2      ARG   5   8.499  -0.718   3.510
   42    HB3  ARG   5           HB1      ARG   5   9.715   0.485   3.083
   43    HG2  ARG   5           HG2      ARG   5   9.278   0.086   0.688
   44    HG3  ARG   5           HG1      ARG   5   8.061  -1.119   1.108
   45    HD2  ARG   5           HD2      ARG   5   6.770   0.610   2.311
   46    HD3  ARG   5           HD1      ARG   5   7.976   1.814   1.864
   47    HE   ARG   5           HE       ARG   5   7.140   0.646  -0.513
   48   HH11  ARG   5          HH21      ARG   5   5.750   2.380   2.141
   49   HH12  ARG   5          HH22      ARG   5   4.504   3.111   1.189
   50   HH21  ARG   5          HH11      ARG   5   5.509   1.602  -1.768
   51   HH22  ARG   5          HH12      ARG   5   4.366   2.672  -1.023
   52    H    VAL   6           HN       VAL   6   9.511  -3.406   4.174
   53    HA   VAL   6           HA       VAL   6   8.127  -4.929   2.067
   54    HB   VAL   6           HB       VAL   6  10.418  -5.857   2.203
   55   HG11  VAL   6          HG11      VAL   6  11.230  -6.851   4.251
   56   HG12  VAL   6          HG12      VAL   6   9.701  -6.529   5.070
   57   HG13  VAL   6          HG13      VAL   6  10.755  -5.192   4.613
   58   HG21  VAL   6          HG21      VAL   6   8.407  -7.707   3.515
   59   HG22  VAL   6          HG22      VAL   6   9.748  -8.160   2.465
   60   HG23  VAL   6          HG23      VAL   6   8.363  -7.291   1.801
   61    H    CYS   7           HN       CYS   7   6.327  -5.969   2.774
   62    HA   CYS   7           HA       CYS   7   5.815  -6.062   5.691
   63    HB2  CYS   7           HB2      CYS   7   4.635  -4.178   4.219
   64    HB3  CYS   7           HB1      CYS   7   3.533  -5.497   3.835
   65    H    TYR   8           HN       TYR   8   4.874  -7.887   6.432
   66    HA   TYR   8           HA       TYR   8   4.404 -10.047   4.470
   67    HB2  TYR   8           HB2      TYR   8   4.913 -10.138   7.453
   68    HB3  TYR   8           HB1      TYR   8   4.651 -11.546   6.423
   69    HD1  TYR   8           HD1      TYR   8   6.937  -8.745   7.194
   70    HD2  TYR   8           HD2      TYR   8   6.343 -12.304   4.863
   71    HE1  TYR   8           HE1      TYR   8   9.332  -8.724   6.552
   72    HE2  TYR   8           HE2      TYR   8   8.740 -12.284   4.222
   73    HH   TYR   8           HH       TYR   8  11.036 -10.795   5.741
   74    H    ARG   9           HN       ARG   9   3.070  -9.109   7.652
   75    HA   ARG   9           HA       ARG   9   0.345  -9.428   6.570
   76    HB2  ARG   9           HB2      ARG   9   1.388 -10.762   9.081
   77    HB3  ARG   9           HB1      ARG   9  -0.304 -10.717   8.582
   78    HG2  ARG   9           HG2      ARG   9   0.276 -11.881   6.490
   79    HG3  ARG   9           HG1      ARG   9   1.969 -11.927   6.981
   80    HD2  ARG   9           HD2      ARG   9   0.951 -14.064   7.516
   81    HD3  ARG   9           HD1      ARG   9   1.306 -13.210   9.014
   82    HE   ARG   9           HE       ARG   9  -1.339 -12.612   8.189
   83   HH11  ARG   9          HH21      ARG   9   0.627 -15.180   9.418
   84   HH12  ARG   9          HH22      ARG   9  -0.669 -15.955  10.263
   85   HH21  ARG   9          HH11      ARG   9  -3.045 -13.619   9.296
   86   HH22  ARG   9          HH12      ARG   9  -2.751 -15.070  10.196
   87    H    GLY  10           HN       GLY  10   1.113  -6.997   6.788
   88    HA2  GLY  10           HA2      GLY  10   0.174  -5.057   7.733
   89    HA3  GLY  10           HA1      GLY  10  -0.238  -5.972   9.180
   90    H    ILE  11           HN       ILE  11   2.790  -6.926   8.614
   91    HA   ILE  11           HA       ILE  11   3.951  -4.898  10.426
   92    HB   ILE  11           HB       ILE  11   4.894  -7.675   9.658
   93   HG12  ILE  11          HG12      ILE  11   3.880  -6.648  12.322
   94   HG13  ILE  11          HG11      ILE  11   2.846  -7.468  11.150
   95   HG21  ILE  11          HG21      ILE  11   6.494  -7.279  11.581
   96   HG22  ILE  11          HG22      ILE  11   6.017  -5.582  11.538
   97   HG23  ILE  11          HG23      ILE  11   6.818  -6.309  10.145
   98   HD11  ILE  11          HD11      ILE  11   5.396  -8.640  12.301
   99   HD12  ILE  11          HD12      ILE  11   4.253  -9.457  11.237
  100   HD13  ILE  11          HD13      ILE  11   3.774  -9.023  12.877
  101    H    CYS  12           HN       CYS  12   4.324  -3.294   8.827
  102    HA   CYS  12           HA       CYS  12   6.261  -3.992   6.699
  103    HB2  CYS  12           HB2      CYS  12   4.956  -1.298   6.828
  104    HB3  CYS  12           HB1      CYS  12   5.365  -2.286   5.424
  105    H    TYR  13           HN       TYR  13   8.244  -3.068   6.593
  106    HA   TYR  13           HA       TYR  13   9.007  -1.154   8.733
  107    HB2  TYR  13           HB2      TYR  13  10.568  -3.490   7.611
  108    HB3  TYR  13           HB1      TYR  13  11.290  -2.218   8.596
  109    HD1  TYR  13           HD2      TYR  13   9.903  -1.656  10.826
  110    HD2  TYR  13           HD1      TYR  13   9.808  -5.406   8.726
  111    HE1  TYR  13           HE2      TYR  13   9.134  -2.793  12.889
  112    HE2  TYR  13           HE1      TYR  13   9.044  -6.541  10.794
  113    HH   TYR  13           HH       TYR  13   9.316  -5.958  13.418
  114    H    ARG  14           HN       ARG  14  10.672   0.330   8.200
  115    HA   ARG  14           HA       ARG  14  11.105   0.744   5.289
  116    HB2  ARG  14           HB2      ARG  14  10.477   2.800   7.421
  117    HB3  ARG  14           HB1      ARG  14  11.031   3.197   5.795
  118    HG2  ARG  14           HG2      ARG  14   9.084   2.043   4.832
  119    HG3  ARG  14           HG1      ARG  14   8.535   1.605   6.451
  120    HD2  ARG  14           HD2      ARG  14   8.963   4.464   5.552
  121    HD3  ARG  14           HD1      ARG  14   7.404   3.645   5.478
  122    HE   ARG  14           HE       ARG  14   8.366   3.364   8.092
  123   HH11  ARG  14          HH21      ARG  14   7.435   5.857   5.880
  124   HH12  ARG  14          HH22      ARG  14   6.855   6.927   7.112
  125   HH21  ARG  14          HH11      ARG  14   7.602   4.762   9.716
  126   HH22  ARG  14          HH12      ARG  14   6.948   6.306   9.284
  127    H    ARG  15           HN       ARG  15  13.137   1.325   4.675
  128    HA   ARG  15           HA       ARG  15  15.130   2.064   6.696
  129    HB2  ARG  15           HB2      ARG  15  15.176  -0.419   6.601
  130    HB3  ARG  15           HB1      ARG  15  15.500  -0.325   4.870
  131    HG2  ARG  15           HG2      ARG  15  17.574   0.950   5.333
  132    HG3  ARG  15           HG1      ARG  15  17.251   0.832   7.064
  133    HD2  ARG  15           HD2      ARG  15  17.559  -1.560   5.232
  134    HD3  ARG  15           HD1      ARG  15  18.866  -0.895   6.208
  135    HE   ARG  15           HE       ARG  15  16.688  -1.387   7.910
  136   HH11  ARG  15          HH21      ARG  15  18.920  -3.078   5.879
  137   HH12  ARG  15          HH22      ARG  15  18.910  -4.523   6.835
  138   HH21  ARG  15          HH11      ARG  15  16.671  -3.279   9.171
  139   HH22  ARG  15          HH12      ARG  15  17.638  -4.636   8.699
  140    H    CYS  16           HN       CYS  16  15.377   4.041   5.709
  141    HA   CYS  16           HA       CYS  16  16.169   4.087   2.859
  142    HB2  CYS  16           HB2      CYS  16  15.628   6.504   4.576
  143    HB3  CYS  16           HB1      CYS  16  15.542   6.353   2.820
  144    H    ARG  17           HN       ARG  17  18.162   4.775   2.227
  145    HA   ARG  17           HA       ARG  17  20.061   5.711   4.302
  146    HB2  ARG  17           HB2      ARG  17  20.581   3.557   2.234
  147    HB3  ARG  17           HB1      ARG  17  21.797   4.259   3.302
  148    HG2  ARG  17           HG2      ARG  17  20.574   3.465   5.269
  149    HG3  ARG  17           HG1      ARG  17  19.292   2.827   4.238
  150    HD2  ARG  17           HD2      ARG  17  20.767   0.998   4.847
  151    HD3  ARG  17           HD1      ARG  17  20.984   1.349   3.136
  152    HE   ARG  17           HE       ARG  17  23.138   2.156   3.600
  153   HH11  ARG  17          HH21      ARG  17  21.342   1.475   6.483
  154   HH12  ARG  17          HH22      ARG  17  22.715   1.597   7.530
  155   HH21  ARG  17          HH11      ARG  17  24.940   2.320   4.974
  156   HH22  ARG  17          HH12      ARG  17  24.750   2.076   6.679
  157    HN1  NH2  18           HN1      NH2  18  18.526   6.761   1.701
  158    HN2  NH2  18           HN2      NH2  18  19.767   7.584   0.884
  Start of MODEL   16
    1    H1   LYS   1           HT1      LYS   1  19.863   7.413  -3.200
    2    H2   LYS   1           HT2      LYS   1  21.040   8.069  -2.166
    3    H3   LYS   1           HT3      LYS   1  19.852   9.071  -2.849
    4    HA   LYS   1           HA       LYS   1  19.695   7.292  -0.559
    5    HB2  LYS   1           HB2      LYS   1  19.618   9.776  -0.413
    6    HB3  LYS   1           HB1      LYS   1  18.153   9.766  -1.395
    7    HG2  LYS   1           HG2      LYS   1  16.981   8.453   0.295
    8    HG3  LYS   1           HG1      LYS   1  18.452   8.331   1.259
    9    HD2  LYS   1           HD2      LYS   1  18.486  10.795   1.505
   10    HD3  LYS   1           HD1      LYS   1  16.992  10.900   0.572
   11    HE2  LYS   1           HE2      LYS   1  17.277   9.318   3.143
   12    HE3  LYS   1           HE1      LYS   1  16.624  10.953   3.057
   13    HZ1  LYS   1           HZ1      LYS   1  15.043   9.995   1.331
   14    HZ2  LYS   1           HZ2      LYS   1  14.770   9.576   2.954
   15    HZ3  LYS   1           HZ3      LYS   1  15.516   8.470   1.904
   16    H    TRP   2           HN       TRP   2  18.760   5.369  -1.174
   17    HA   TRP   2           HA       TRP   2  16.129   5.514  -2.537
   18    HB2  TRP   2           HB2      TRP   2  17.909   3.089  -2.265
   19    HB3  TRP   2           HB1      TRP   2  16.501   3.285  -3.306
   20    HD1  TRP   2           HD1      TRP   2  20.058   4.696  -2.854
   21    HE1  TRP   2           HE1      TRP   2  20.896   5.526  -5.146
   22    HE3  TRP   2           HE3      TRP   2  15.851   3.957  -5.651
   23    HZ2  TRP   2           HZ2      TRP   2  19.912   5.835  -7.814
   24    HZ3  TRP   2           HZ3      TRP   2  15.829   4.528  -8.064
   25    HH2  TRP   2           HH2      TRP   2  17.851   5.464  -9.147
   26    H    CYS   3           HN       CYS   3  14.357   4.604  -1.599
   27    HA   CYS   3           HA       CYS   3  14.722   3.428   1.104
   28    HB2  CYS   3           HB2      CYS   3  12.506   5.227   0.101
   29    HB3  CYS   3           HB1      CYS   3  12.519   4.420   1.668
   30    H    PHE   4           HN       PHE   4  13.335   1.754   1.692
   31    HA   PHE   4           HA       PHE   4  11.727   0.564  -0.496
   32    HB2  PHE   4           HB2      PHE   4  13.636  -0.852   1.376
   33    HB3  PHE   4           HB1      PHE   4  12.479  -1.669   0.324
   34    HD1  PHE   4           HD2      PHE   4  12.635  -1.371  -2.170
   35    HD2  PHE   4           HD1      PHE   4  15.676   0.047   0.512
   36    HE1  PHE   4           HE2      PHE   4  14.222  -1.187  -4.066
   37    HE2  PHE   4           HE1      PHE   4  17.264   0.230  -1.383
   38    HZ   PHE   4           HZ       PHE   4  16.537  -0.387  -3.674
   39    H    ARG   5           HN       ARG   5   9.931  -0.662   0.159
   40    HA   ARG   5           HA       ARG   5   9.214  -0.638   3.009
   41    HB2  ARG   5           HB2      ARG   5   6.877   0.216   2.214
   42    HB3  ARG   5           HB1      ARG   5   8.173   1.384   2.465
   43    HG2  ARG   5           HG2      ARG   5   8.681   1.417   0.088
   44    HG3  ARG   5           HG1      ARG   5   7.511   0.136  -0.216
   45    HD2  ARG   5           HD2      ARG   5   6.517   2.291  -0.778
   46    HD3  ARG   5           HD1      ARG   5   5.701   1.611   0.627
   47    HE   ARG   5           HE       ARG   5   7.853   3.314   1.420
   48   HH11  ARG   5          HH21      ARG   5   4.633   3.276   0.154
   49   HH12  ARG   5          HH22      ARG   5   4.206   4.818   0.815
   50   HH21  ARG   5          HH11      ARG   5   7.301   5.337   2.292
   51   HH22  ARG   5          HH12      ARG   5   5.716   5.986   2.026
   52    H    VAL   6           HN       VAL   6   9.099  -2.825   3.181
   53    HA   VAL   6           HA       VAL   6   7.119  -4.195   1.446
   54    HB   VAL   6           HB       VAL   6   9.816  -5.192   2.373
   55   HG11  VAL   6          HG11      VAL   6   7.417  -6.649   1.242
   56   HG12  VAL   6          HG12      VAL   6   8.334  -7.035   2.700
   57   HG13  VAL   6          HG13      VAL   6   9.052  -7.296   1.111
   58   HG21  VAL   6          HG21      VAL   6   8.552  -4.909  -0.372
   59   HG22  VAL   6          HG22      VAL   6  10.179  -5.505  -0.039
   60   HG23  VAL   6          HG23      VAL   6   9.767  -3.825   0.304
   61    H    CYS   7           HN       CYS   7   5.579  -5.276   2.496
   62    HA   CYS   7           HA       CYS   7   5.659  -5.327   5.419
   63    HB2  CYS   7           HB2      CYS   7   3.401  -6.314   3.685
   64    HB3  CYS   7           HB1      CYS   7   3.335  -5.704   5.340
   65    H    TYR   8           HN       TYR   8   5.998  -7.102   6.615
   66    HA   TYR   8           HA       TYR   8   6.753  -9.557   5.285
   67    HB2  TYR   8           HB2      TYR   8   7.909  -8.562   7.330
   68    HB3  TYR   8           HB1      TYR   8   6.516  -9.110   8.258
   69    HD1  TYR   8           HD1      TYR   8   8.895 -10.418   5.660
   70    HD2  TYR   8           HD2      TYR   8   6.623 -11.239   9.213
   71    HE1  TYR   8           HE1      TYR   8   9.857 -12.701   5.749
   72    HE2  TYR   8           HE2      TYR   8   7.584 -13.521   9.301
   73    HH   TYR   8           HH       TYR   8   8.616 -15.155   7.385
   74    H    ARG   9           HN       ARG   9   4.720  -9.207   8.171
   75    HA   ARG   9           HA       ARG   9   2.571 -10.715   6.876
   76    HB2  ARG   9           HB2      ARG   9   4.026 -11.632   9.363
   77    HB3  ARG   9           HB1      ARG   9   2.468 -12.270   8.837
   78    HG2  ARG   9           HG2      ARG   9   3.513 -12.877   6.650
   79    HG3  ARG   9           HG1      ARG   9   5.071 -12.361   7.286
   80    HD2  ARG   9           HD2      ARG   9   3.338 -14.488   8.567
   81    HD3  ARG   9           HD1      ARG   9   4.689 -14.829   7.490
   82    HE   ARG   9           HE       ARG   9   5.607 -13.147   9.552
   83   HH11  ARG   9          HH21      ARG   9   4.372 -16.338   9.034
   84   HH12  ARG   9          HH22      ARG   9   5.240 -17.039  10.359
   85   HH21  ARG   9          HH11      ARG   9   6.747 -14.057  11.291
   86   HH22  ARG   9          HH12      ARG   9   6.585 -15.747  11.638
   87    H    GLY  10           HN       GLY  10   2.156  -8.201   7.288
   88    HA2  GLY  10           HA2      GLY  10   0.150  -7.240   8.295
   89    HA3  GLY  10           HA1      GLY  10   0.559  -8.064   9.793
   90    H    ILE  11           HN       ILE  11   3.471  -7.324   9.251
   91    HA   ILE  11           HA       ILE  11   3.291  -4.569  10.331
   92    HB   ILE  11           HB       ILE  11   5.494  -6.626  10.604
   93   HG12  ILE  11          HG12      ILE  11   3.621  -5.515  12.711
   94   HG13  ILE  11          HG11      ILE  11   3.323  -7.034  11.865
   95   HG21  ILE  11          HG21      ILE  11   5.149  -3.804  11.645
   96   HG22  ILE  11          HG22      ILE  11   6.459  -4.426  10.643
   97   HG23  ILE  11          HG23      ILE  11   6.313  -4.942  12.322
   98   HD11  ILE  11          HD11      ILE  11   5.522  -7.880  12.645
   99   HD12  ILE  11          HD12      ILE  11   4.465  -7.466  13.995
  100   HD13  ILE  11          HD13      ILE  11   5.771  -6.375  13.532
  101    H    CYS  12           HN       CYS  12   3.924  -2.972   9.054
  102    HA   CYS  12           HA       CYS  12   5.929  -3.544   6.945
  103    HB2  CYS  12           HB2      CYS  12   3.295  -3.004   6.429
  104    HB3  CYS  12           HB1      CYS  12   3.978  -1.382   6.391
  105    H    TYR  13           HN       TYR  13   7.488  -2.020   6.619
  106    HA   TYR  13           HA       TYR  13   7.327   0.566   7.953
  107    HB2  TYR  13           HB2      TYR  13   9.507   0.211   9.112
  108    HB3  TYR  13           HB1      TYR  13   8.209  -0.801   9.749
  109    HD1  TYR  13           HD1      TYR  13  11.289  -0.751   7.712
  110    HD2  TYR  13           HD2      TYR  13   8.189  -3.204   9.395
  111    HE1  TYR  13           HE1      TYR  13  12.620  -2.782   7.207
  112    HE2  TYR  13           HE2      TYR  13   9.520  -5.234   8.887
  113    HH   TYR  13           HH       TYR  13  11.656  -5.947   8.367
  114    H    ARG  14           HN       ARG  14   9.057   2.004   7.311
  115    HA   ARG  14           HA       ARG  14  10.163   1.279   4.664
  116    HB2  ARG  14           HB2      ARG  14  10.330   3.731   4.317
  117    HB3  ARG  14           HB1      ARG  14   8.672   3.196   4.600
  118    HG2  ARG  14           HG2      ARG  14   8.847   3.853   6.964
  119    HG3  ARG  14           HG1      ARG  14  10.516   4.362   6.709
  120    HD2  ARG  14           HD2      ARG  14   8.144   5.514   5.221
  121    HD3  ARG  14           HD1      ARG  14   8.877   6.256   6.639
  122    HE   ARG  14           HE       ARG  14  10.934   5.819   4.804
  123   HH11  ARG  14          HH21      ARG  14   7.974   7.595   5.058
  124   HH12  ARG  14          HH22      ARG  14   8.495   8.879   4.019
  125   HH21  ARG  14          HH11      ARG  14  11.623   7.502   3.442
  126   HH22  ARG  14          HH12      ARG  14  10.560   8.827   3.106
  127    H    ARG  15           HN       ARG  15  12.315   1.497   4.239
  128    HA   ARG  15           HA       ARG  15  14.074   2.541   6.365
  129    HB2  ARG  15           HB2      ARG  15  13.910   0.084   6.667
  130    HB3  ARG  15           HB1      ARG  15  14.463  -0.137   5.006
  131    HG2  ARG  15           HG2      ARG  15  16.572   0.986   5.518
  132    HG3  ARG  15           HG1      ARG  15  16.019   1.331   7.156
  133    HD2  ARG  15           HD2      ARG  15  16.312  -1.459   6.013
  134    HD3  ARG  15           HD1      ARG  15  17.526  -0.668   7.011
  135    HE   ARG  15           HE       ARG  15  15.067  -0.577   8.376
  136   HH11  ARG  15          HH21      ARG  15  17.444  -2.830   7.260
  137   HH12  ARG  15          HH22      ARG  15  17.146  -3.980   8.521
  138   HH21  ARG  15          HH11      ARG  15  14.672  -2.081  10.034
  139   HH22  ARG  15          HH12      ARG  15  15.577  -3.556  10.090
  140    H    CYS  16           HN       CYS  16  15.933   3.492   5.634
  141    HA   CYS  16           HA       CYS  16  16.437   3.434   2.713
  142    HB2  CYS  16           HB2      CYS  16  16.684   5.923   4.401
  143    HB3  CYS  16           HB1      CYS  16  16.737   5.787   2.644
  144    H    ARG  17           HN       ARG  17  18.581   3.637   2.092
  145    HA   ARG  17           HA       ARG  17  20.616   3.771   4.227
  146    HB2  ARG  17           HB2      ARG  17  20.397   1.604   2.123
  147    HB3  ARG  17           HB1      ARG  17  21.819   1.873   3.133
  148    HG2  ARG  17           HG2      ARG  17  20.507   1.481   5.153
  149    HG3  ARG  17           HG1      ARG  17  19.034   1.320   4.197
  150    HD2  ARG  17           HD2      ARG  17  19.861  -0.900   4.736
  151    HD3  ARG  17           HD1      ARG  17  20.064  -0.618   3.010
  152    HE   ARG  17           HE       ARG  17  22.419   0.144   4.410
  153   HH11  ARG  17          HH21      ARG  17  20.568  -2.596   3.389
  154   HH12  ARG  17          HH22      ARG  17  21.934  -3.655   3.289
  155   HH21  ARG  17          HH11      ARG  17  24.215  -1.240   4.283
  156   HH22  ARG  17          HH12      ARG  17  23.999  -2.888   3.796
  157    HN1  NH2  18           HN1      NH2  18  19.538   5.060   1.375
  158    HN2  NH2  18           HN2      NH2  18  21.019   5.570   0.721
  Start of MODEL   17
    1    H1   LYS   1           HT1      LYS   1  19.502   6.822  -4.459
    2    H2   LYS   1           HT2      LYS   1  17.962   6.438  -5.064
    3    H3   LYS   1           HT3      LYS   1  19.061   5.200  -4.683
    4    HA   LYS   1           HA       LYS   1  18.992   5.905  -2.333
    5    HB2  LYS   1           HB2      LYS   1  16.829   7.706  -3.456
    6    HB3  LYS   1           HB1      LYS   1  17.018   7.364  -1.736
    7    HG2  LYS   1           HG2      LYS   1  19.319   8.253  -1.809
    8    HG3  LYS   1           HG1      LYS   1  19.132   8.597  -3.529
    9    HD2  LYS   1           HD2      LYS   1  17.264  10.128  -3.022
   10    HD3  LYS   1           HD1      LYS   1  17.449   9.787  -1.301
   11    HE2  LYS   1           HE2      LYS   1  19.761  10.666  -1.383
   12    HE3  LYS   1           HE1      LYS   1  19.557  11.029  -3.096
   13    HZ1  LYS   1           HZ1      LYS   1  18.171  12.756  -2.667
   14    HZ2  LYS   1           HZ2      LYS   1  19.089  12.813  -1.238
   15    HZ3  LYS   1           HZ3      LYS   1  17.558  12.077  -1.239
   16    H    TRP   2           HN       TRP   2  18.350   3.946  -1.685
   17    HA   TRP   2           HA       TRP   2  15.744   2.900  -2.652
   18    HB2  TRP   2           HB2      TRP   2  18.021   1.317  -1.451
   19    HB3  TRP   2           HB1      TRP   2  16.598   0.698  -2.292
   20    HD1  TRP   2           HD1      TRP   2  19.738   2.830  -2.984
   21    HE1  TRP   2           HE1      TRP   2  20.367   2.556  -5.468
   22    HE3  TRP   2           HE3      TRP   2  15.830  -0.050  -4.574
   23    HZ2  TRP   2           HZ2      TRP   2  19.349   1.284  -7.819
   24    HZ3  TRP   2           HZ3      TRP   2  15.685  -0.778  -6.937
   25    HH2  TRP   2           HH2      TRP   2  17.438  -0.116  -8.561
   26    H    CYS   3           HN       CYS   3  14.209   2.300  -1.216
   27    HA   CYS   3           HA       CYS   3  14.839   2.572   1.674
   28    HB2  CYS   3           HB2      CYS   3  12.393   3.514   0.171
   29    HB3  CYS   3           HB1      CYS   3  12.489   3.412   1.928
   30    H    PHE   4           HN       PHE   4  13.892   1.107   3.050
   31    HA   PHE   4           HA       PHE   4  12.726  -1.270   1.744
   32    HB2  PHE   4           HB2      PHE   4  13.963  -0.869   4.476
   33    HB3  PHE   4           HB1      PHE   4  13.235  -2.378   3.924
   34    HD1  PHE   4           HD2      PHE   4  14.212  -3.617   2.001
   35    HD2  PHE   4           HD1      PHE   4  16.113  -0.144   3.664
   36    HE1  PHE   4           HE2      PHE   4  16.323  -4.217   0.842
   37    HE2  PHE   4           HE1      PHE   4  18.222  -0.742   2.506
   38    HZ   PHE   4           HZ       PHE   4  18.327  -2.779   1.095
   39    H    ARG   5           HN       ARG   5  10.686   0.031   1.518
   40    HA   ARG   5           HA       ARG   5   9.117   0.001   4.042
   41    HB2  ARG   5           HB2      ARG   5   9.362   2.240   3.014
   42    HB3  ARG   5           HB1      ARG   5   8.615   1.623   1.539
   43    HG2  ARG   5           HG2      ARG   5   6.578   1.043   2.810
   44    HG3  ARG   5           HG1      ARG   5   7.326   1.648   4.285
   45    HD2  ARG   5           HD2      ARG   5   7.573   3.878   3.144
   46    HD3  ARG   5           HD1      ARG   5   6.633   3.236   1.801
   47    HE   ARG   5           HE       ARG   5   5.625   3.984   4.424
   48   HH11  ARG   5          HH21      ARG   5   5.149   2.207   1.494
   49   HH12  ARG   5          HH22      ARG   5   3.425   2.146   1.649
   50   HH21  ARG   5          HH11      ARG   5   3.367   3.910   4.633
   51   HH22  ARG   5          HH12      ARG   5   2.416   3.110   3.427
   52    H    VAL   6           HN       VAL   6   8.793  -2.297   3.682
   53    HA   VAL   6           HA       VAL   6   6.473  -2.762   1.926
   54    HB   VAL   6           HB       VAL   6   8.317  -3.506   0.558
   55   HG11  VAL   6          HG11      VAL   6   9.185  -4.998   3.049
   56   HG12  VAL   6          HG12      VAL   6  10.062  -3.714   2.218
   57   HG13  VAL   6          HG13      VAL   6   9.863  -5.287   1.449
   58   HG21  VAL   6          HG21      VAL   6   7.665  -5.788   0.221
   59   HG22  VAL   6          HG22      VAL   6   6.233  -4.960   0.833
   60   HG23  VAL   6          HG23      VAL   6   7.196  -5.975   1.909
   61    H    CYS   7           HN       CYS   7   5.104  -4.414   2.623
   62    HA   CYS   7           HA       CYS   7   5.476  -5.179   5.432
   63    HB2  CYS   7           HB2      CYS   7   3.189  -4.670   3.677
   64    HB3  CYS   7           HB1      CYS   7   2.994  -6.152   4.611
   65    H    TYR   8           HN       TYR   8   6.508  -7.025   5.794
   66    HA   TYR   8           HA       TYR   8   6.803  -9.078   3.840
   67    HB2  TYR   8           HB2      TYR   8   7.343  -8.990   6.813
   68    HB3  TYR   8           HB1      TYR   8   7.696 -10.401   5.814
   69    HD1  TYR   8           HD1      TYR   8   8.448  -6.786   6.281
   70    HD2  TYR   8           HD2      TYR   8   9.599 -10.461   4.377
   71    HE1  TYR   8           HE1      TYR   8  10.578  -5.743   5.557
   72    HE2  TYR   8           HE2      TYR   8  11.729  -9.418   3.651
   73    HH   TYR   8           HH       TYR   8  12.887  -7.513   3.509
   74    H    ARG   9           HN       ARG   9   4.807  -8.683   6.724
   75    HA   ARG   9           HA       ARG   9   2.774 -10.434   5.661
   76    HB2  ARG   9           HB2      ARG   9   2.813 -11.928   7.689
   77    HB3  ARG   9           HB1      ARG   9   4.188 -12.143   6.603
   78    HG2  ARG   9           HG2      ARG   9   5.548 -10.657   8.034
   79    HG3  ARG   9           HG1      ARG   9   4.177 -10.456   9.125
   80    HD2  ARG   9           HD2      ARG   9   4.166 -12.868   9.585
   81    HD3  ARG   9           HD1      ARG   9   5.504 -13.100   8.464
   82    HE   ARG   9           HE       ARG   9   5.655 -11.967  11.148
   83   HH11  ARG   9          HH21      ARG   9   7.127 -12.441   8.052
   84   HH12  ARG   9          HH22      ARG   9   8.742 -12.188   8.627
   85   HH21  ARG   9          HH11      ARG   9   7.771 -11.633  11.908
   86   HH22  ARG   9          HH12      ARG   9   9.105 -11.730  10.810
   87    H    GLY  10           HN       GLY  10   2.539  -7.815   6.125
   88    HA2  GLY  10           HA2      GLY  10   0.681  -6.645   7.062
   89    HA3  GLY  10           HA1      GLY  10   0.730  -7.717   8.459
   90    H    ILE  11           HN       ILE  11   3.836  -7.260   8.167
   91    HA   ILE  11           HA       ILE  11   3.859  -4.905   9.955
   92    HB   ILE  11           HB       ILE  11   5.968  -7.017   9.424
   93   HG12  ILE  11          HG12      ILE  11   4.266  -6.543  11.890
   94   HG13  ILE  11          HG11      ILE  11   3.863  -7.732  10.651
   95   HG21  ILE  11          HG21      ILE  11   7.020  -5.984  11.463
   96   HG22  ILE  11          HG22      ILE  11   5.832  -4.685  11.359
   97   HG23  ILE  11          HG23      ILE  11   7.006  -4.914  10.064
   98   HD11  ILE  11          HD11      ILE  11   6.063  -8.824  11.005
   99   HD12  ILE  11          HD12      ILE  11   5.095  -8.808  12.481
  100   HD13  ILE  11          HD13      ILE  11   6.419  -7.660  12.281
  101    H    CYS  12           HN       CYS  12   3.926  -3.136   8.647
  102    HA   CYS  12           HA       CYS  12   5.728  -3.051   6.354
  103    HB2  CYS  12           HB2      CYS  12   3.677  -1.161   7.486
  104    HB3  CYS  12           HB1      CYS  12   4.792  -0.659   6.215
  105    H    TYR  13           HN       TYR  13   7.748  -2.360   6.461
  106    HA   TYR  13           HA       TYR  13   8.658  -0.937   8.880
  107    HB2  TYR  13           HB2      TYR  13  10.150  -2.356   6.663
  108    HB3  TYR  13           HB1      TYR  13  10.935  -1.453   7.959
  109    HD1  TYR  13           HD2      TYR  13  10.619  -2.164  10.344
  110    HD2  TYR  13           HD1      TYR  13   9.219  -4.528   7.041
  111    HE1  TYR  13           HE2      TYR  13  10.412  -4.131  11.840
  112    HE2  TYR  13           HE1      TYR  13   9.011  -6.494   8.540
  113    HH   TYR  13           HH       TYR  13   9.103  -7.218  10.645
  114    H    ARG  14           HN       ARG  14  10.601   0.598   8.279
  115    HA   ARG  14           HA       ARG  14  10.250   2.110   5.841
  116    HB2  ARG  14           HB2      ARG  14   8.404   2.989   7.236
  117    HB3  ARG  14           HB1      ARG  14   9.568   3.411   8.491
  118    HG2  ARG  14           HG2      ARG  14  10.706   4.952   6.995
  119    HG3  ARG  14           HG1      ARG  14   9.678   4.458   5.649
  120    HD2  ARG  14           HD2      ARG  14   8.632   5.702   8.206
  121    HD3  ARG  14           HD1      ARG  14   8.969   6.615   6.737
  122    HE   ARG  14           HE       ARG  14   7.275   4.481   6.056
  123   HH11  ARG  14          HH21      ARG  14   7.296   7.365   7.969
  124   HH12  ARG  14          HH22      ARG  14   5.599   7.659   7.797
  125   HH21  ARG  14          HH11      ARG  14   5.048   4.861   5.823
  126   HH22  ARG  14          HH12      ARG  14   4.326   6.241   6.581
  127    H    ARG  15           HN       ARG  15  12.407   1.929   5.420
  128    HA   ARG  15           HA       ARG  15  14.201   3.508   7.127
  129    HB2  ARG  15           HB2      ARG  15  14.414   1.165   7.911
  130    HB3  ARG  15           HB1      ARG  15  14.852   0.679   6.271
  131    HG2  ARG  15           HG2      ARG  15  16.811   2.135   6.320
  132    HG3  ARG  15           HG1      ARG  15  16.355   2.740   7.914
  133    HD2  ARG  15           HD2      ARG  15  18.069   1.025   8.164
  134    HD3  ARG  15           HD1      ARG  15  16.545   0.429   8.813
  135    HE   ARG  15           HE       ARG  15  16.436  -1.117   7.057
  136   HH11  ARG  15          HH21      ARG  15  18.980   1.186   6.618
  137   HH12  ARG  15          HH22      ARG  15  19.731   0.317   5.322
  138   HH21  ARG  15          HH11      ARG  15  17.413  -2.263   5.355
  139   HH22  ARG  15          HH12      ARG  15  18.843  -1.634   4.606
  140    H    CYS  16           HN       CYS  16  15.627   4.668   5.975
  141    HA   CYS  16           HA       CYS  16  16.014   3.989   3.112
  142    HB2  CYS  16           HB2      CYS  16  15.510   6.715   4.321
  143    HB3  CYS  16           HB1      CYS  16  16.033   6.439   2.659
  144    H    ARG  17           HN       ARG  17  17.939   5.103   2.182
  145    HA   ARG  17           HA       ARG  17  20.022   5.871   4.068
  146    HB2  ARG  17           HB2      ARG  17  20.149   3.391   4.028
  147    HB3  ARG  17           HB1      ARG  17  20.383   3.454   2.282
  148    HG2  ARG  17           HG2      ARG  17  22.434   4.756   2.566
  149    HG3  ARG  17           HG1      ARG  17  22.188   4.802   4.313
  150    HD2  ARG  17           HD2      ARG  17  22.514   2.255   2.704
  151    HD3  ARG  17           HD1      ARG  17  23.817   3.043   3.588
  152    HE   ARG  17           HE       ARG  17  21.764   2.680   5.419
  153   HH11  ARG  17          HH21      ARG  17  23.738   0.746   3.339
  154   HH12  ARG  17          HH22      ARG  17  23.705  -0.644   4.371
  155   HH21  ARG  17          HH11      ARG  17  21.716   0.862   6.779
  156   HH22  ARG  17          HH12      ARG  17  22.560  -0.578   6.319
  157    HN1  NH2  18           HN1      NH2  18  19.050   5.297   0.685
  158    HN2  NH2  18           HN2      NH2  18  20.080   6.473   0.033
  Start of MODEL   18
    1    H1   LYS   1           HT1      LYS   1  20.817   8.195  -1.187
    2    H2   LYS   1           HT2      LYS   1  19.527   8.224  -2.293
    3    H3   LYS   1           HT3      LYS   1  20.275   6.751  -1.893
    4    HA   LYS   1           HA       LYS   1  19.431   6.803   0.309
    5    HB2  LYS   1           HB2      LYS   1  18.108   9.440  -0.352
    6    HB3  LYS   1           HB1      LYS   1  18.281   8.674   1.225
    7    HG2  LYS   1           HG2      LYS   1  20.032  10.179   1.402
    8    HG3  LYS   1           HG1      LYS   1  20.899   8.874   0.607
    9    HD2  LYS   1           HD2      LYS   1  21.476  10.634  -0.797
   10    HD3  LYS   1           HD1      LYS   1  20.011  10.087  -1.607
   11    HE2  LYS   1           HE2      LYS   1  20.420  12.498   0.145
   12    HE3  LYS   1           HE1      LYS   1  19.639  12.391  -1.431
   13    HZ1  LYS   1           HZ1      LYS   1  17.726  11.516  -0.521
   14    HZ2  LYS   1           HZ2      LYS   1  18.195  12.631   0.671
   15    HZ3  LYS   1           HZ3      LYS   1  18.499  10.973   0.886
   16    H    TRP   2           HN       TRP   2  18.652   5.300  -1.628
   17    HA   TRP   2           HA       TRP   2  15.931   5.863  -2.507
   18    HB2  TRP   2           HB2      TRP   2  17.790   3.515  -2.942
   19    HB3  TRP   2           HB1      TRP   2  16.159   3.617  -3.609
   20    HD1  TRP   2           HD1      TRP   2  19.587   5.325  -3.802
   21    HE1  TRP   2           HE1      TRP   2  19.721   6.651  -6.009
   22    HE3  TRP   2           HE3      TRP   2  14.799   4.734  -5.482
   23    HZ2  TRP   2           HZ2      TRP   2  18.025   7.364  -8.197
   24    HZ3  TRP   2           HZ3      TRP   2  14.089   5.743  -7.630
   25    HH2  TRP   2           HH2      TRP   2  15.693   7.058  -8.989
   26    H    CYS   3           HN       CYS   3  14.593   5.788  -0.739
   27    HA   CYS   3           HA       CYS   3  14.762   3.566   1.141
   28    HB2  CYS   3           HB2      CYS   3  12.840   5.901   0.976
   29    HB3  CYS   3           HB1      CYS   3  12.917   4.732   2.294
   30    H    PHE   4           HN       PHE   4  13.287   1.925   1.341
   31    HA   PHE   4           HA       PHE   4  11.059   1.794  -0.610
   32    HB2  PHE   4           HB2      PHE   4  13.029  -0.423   0.013
   33    HB3  PHE   4           HB1      PHE   4  11.585  -0.591  -0.984
   34    HD1  PHE   4           HD2      PHE   4  11.365   0.781  -3.094
   35    HD2  PHE   4           HD1      PHE   4  15.030   0.534  -0.865
   36    HE1  PHE   4           HE2      PHE   4  12.619   1.622  -5.062
   37    HE2  PHE   4           HE1      PHE   4  16.283   1.376  -2.833
   38    HZ   PHE   4           HZ       PHE   4  15.078   1.921  -4.931
   39    H    ARG   5           HN       ARG   5   9.321   0.414   0.016
   40    HA   ARG   5           HA       ARG   5   9.211  -0.152   2.931
   41    HB2  ARG   5           HB2      ARG   5   6.789   0.305   2.778
   42    HB3  ARG   5           HB1      ARG   5   7.747   1.712   2.326
   43    HG2  ARG   5           HG2      ARG   5   7.461   1.119  -0.069
   44    HG3  ARG   5           HG1      ARG   5   6.451  -0.246   0.407
   45    HD2  ARG   5           HD2      ARG   5   5.848   2.624   1.149
   46    HD3  ARG   5           HD1      ARG   5   5.153   1.806  -0.247
   47    HE   ARG   5           HE       ARG   5   4.698   0.219   2.038
   48   HH11  ARG   5          HH21      ARG   5   3.819   3.260   0.643
   49   HH12  ARG   5          HH22      ARG   5   2.260   3.312   1.397
   50   HH21  ARG   5          HH11      ARG   5   2.657   0.281   3.032
   51   HH22  ARG   5          HH12      ARG   5   1.602   1.625   2.750
   52    H    VAL   6           HN       VAL   6   8.614  -2.144   3.555
   53    HA   VAL   6           HA       VAL   6   7.348  -3.981   1.641
   54    HB   VAL   6           HB       VAL   6   9.687  -4.419   1.274
   55   HG11  VAL   6          HG11      VAL   6   9.897  -4.670   4.289
   56   HG12  VAL   6          HG12      VAL   6  10.547  -3.348   3.319
   57   HG13  VAL   6          HG13      VAL   6  11.200  -4.977   3.142
   58   HG21  VAL   6          HG21      VAL   6   8.035  -6.355   1.667
   59   HG22  VAL   6          HG22      VAL   6   8.790  -6.526   3.251
   60   HG23  VAL   6          HG23      VAL   6   9.751  -6.742   1.788
   61    H    CYS   7           HN       CYS   7   6.149  -5.605   2.601
   62    HA   CYS   7           HA       CYS   7   5.779  -5.369   5.538
   63    HB2  CYS   7           HB2      CYS   7   3.815  -6.515   3.549
   64    HB3  CYS   7           HB1      CYS   7   3.511  -6.011   5.213
   65    H    TYR   8           HN       TYR   8   6.158  -7.096   6.795
   66    HA   TYR   8           HA       TYR   8   6.924  -9.638   5.488
   67    HB2  TYR   8           HB2      TYR   8   7.527  -8.546   8.245
   68    HB3  TYR   8           HB1      TYR   8   8.050 -10.119   7.646
   69    HD1  TYR   8           HD2      TYR   8   9.639 -10.273   5.738
   70    HD2  TYR   8           HD1      TYR   8   8.578  -6.509   7.514
   71    HE1  TYR   8           HE2      TYR   8  11.586  -9.203   4.636
   72    HE2  TYR   8           HE1      TYR   8  10.525  -5.440   6.413
   73    HH   TYR   8           HH       TYR   8  12.997  -7.277   4.867
   74    H    ARG   9           HN       ARG   9   5.902  -9.138   8.820
   75    HA   ARG   9           HA       ARG   9   3.948 -11.311   8.537
   76    HB2  ARG   9           HB2      ARG   9   5.060  -9.893  10.973
   77    HB3  ARG   9           HB1      ARG   9   3.892 -11.214  11.025
   78    HG2  ARG   9           HG2      ARG   9   5.496 -12.682   9.854
   79    HG3  ARG   9           HG1      ARG   9   6.667 -11.365   9.812
   80    HD2  ARG   9           HD2      ARG   9   5.482 -12.509  12.354
   81    HD3  ARG   9           HD1      ARG   9   7.051 -12.968  11.699
   82    HE   ARG   9           HE       ARG   9   6.387 -10.471  13.034
   83   HH11  ARG   9          HH21      ARG   9   8.538 -12.203  10.946
   84   HH12  ARG   9          HH22      ARG   9   9.888 -11.161  11.246
   85   HH21  ARG   9          HH11      ARG   9   8.155  -9.100  13.432
   86   HH22  ARG   9          HH12      ARG   9   9.672  -9.405  12.651
   87    H    GLY  10           HN       GLY  10   3.263  -8.892   7.287
   88    HA2  GLY  10           HA2      GLY  10   1.204  -7.796   7.051
   89    HA3  GLY  10           HA1      GLY  10   0.775  -8.280   8.690
   90    H    ILE  11           HN       ILE  11   3.871  -7.145   8.776
   91    HA   ILE  11           HA       ILE  11   3.003  -4.472   9.709
   92    HB   ILE  11           HB       ILE  11   5.533  -6.039  10.283
   93   HG12  ILE  11          HG12      ILE  11   3.240  -5.344  12.138
   94   HG13  ILE  11          HG11      ILE  11   3.358  -6.888  11.292
   95   HG21  ILE  11          HG21      ILE  11   5.728  -4.216  12.083
   96   HG22  ILE  11          HG22      ILE  11   4.518  -3.328  11.156
   97   HG23  ILE  11          HG23      ILE  11   6.073  -3.725  10.425
   98   HD11  ILE  11          HD11      ILE  11   5.593  -5.818  13.025
   99   HD12  ILE  11          HD12      ILE  11   5.389  -7.457  12.413
  100   HD13  ILE  11          HD13      ILE  11   4.308  -6.844  13.664
  101    H    CYS  12           HN       CYS  12   3.290  -2.912   8.261
  102    HA   CYS  12           HA       CYS  12   5.455  -3.135   6.262
  103    HB2  CYS  12           HB2      CYS  12   3.127  -1.201   6.350
  104    HB3  CYS  12           HB1      CYS  12   4.225  -1.483   4.998
  105    H    TYR  13           HN       TYR  13   7.178  -1.810   6.315
  106    HA   TYR  13           HA       TYR  13   7.066   0.705   7.827
  107    HB2  TYR  13           HB2      TYR  13   7.820  -1.088   9.411
  108    HB3  TYR  13           HB1      TYR  13   9.201  -1.375   8.354
  109    HD1  TYR  13           HD1      TYR  13   7.481   1.246  10.374
  110    HD2  TYR  13           HD2      TYR  13  11.120   0.024   8.445
  111    HE1  TYR  13           HE1      TYR  13   8.679   3.137  11.438
  112    HE2  TYR  13           HE2      TYR  13  12.318   1.917   9.511
  113    HH   TYR  13           HH       TYR  13  10.672   4.068  11.816
  114    H    ARG  14           HN       ARG  14   8.728   2.172   7.280
  115    HA   ARG  14           HA       ARG  14   9.756   1.802   4.576
  116    HB2  ARG  14           HB2      ARG  14   9.805   4.151   6.485
  117    HB3  ARG  14           HB1      ARG  14  10.480   4.183   4.856
  118    HG2  ARG  14           HG2      ARG  14   8.283   3.643   3.907
  119    HG3  ARG  14           HG1      ARG  14   7.593   3.541   5.529
  120    HD2  ARG  14           HD2      ARG  14   8.174   5.912   5.918
  121    HD3  ARG  14           HD1      ARG  14   8.839   6.012   4.291
  122    HE   ARG  14           HE       ARG  14   6.225   5.098   4.017
  123   HH11  ARG  14          HH21      ARG  14   7.904   7.852   5.268
  124   HH12  ARG  14          HH22      ARG  14   6.620   8.963   4.925
  125   HH21  ARG  14          HH11      ARG  14   4.536   6.550   3.565
  126   HH22  ARG  14          HH12      ARG  14   4.712   8.226   3.962
  127    H    ARG  15           HN       ARG  15  11.879   1.602   4.018
  128    HA   ARG  15           HA       ARG  15  13.900   1.563   6.196
  129    HB2  ARG  15           HB2      ARG  15  13.530  -0.425   3.944
  130    HB3  ARG  15           HB1      ARG  15  14.970  -0.340   4.957
  131    HG2  ARG  15           HG2      ARG  15  13.597  -0.725   6.964
  132    HG3  ARG  15           HG1      ARG  15  12.145  -0.788   5.965
  133    HD2  ARG  15           HD2      ARG  15  13.062  -2.727   4.749
  134    HD3  ARG  15           HD1      ARG  15  14.513  -2.666   5.745
  135    HE   ARG  15           HE       ARG  15  12.102  -2.877   7.308
  136   HH11  ARG  15          HH21      ARG  15  14.455  -4.580   5.427
  137   HH12  ARG  15          HH22      ARG  15  14.220  -6.088   6.246
  138   HH21  ARG  15          HH11      ARG  15  11.791  -4.851   8.388
  139   HH22  ARG  15          HH12      ARG  15  12.712  -6.240   7.924
  140    H    CYS  16           HN       CYS  16  15.838   2.477   5.721
  141    HA   CYS  16           HA       CYS  16  16.290   3.452   2.954
  142    HB2  CYS  16           HB2      CYS  16  16.752   4.980   5.528
  143    HB3  CYS  16           HB1      CYS  16  17.204   5.533   3.914
  144    H    ARG  17           HN       ARG  17  18.425   3.531   2.275
  145    HA   ARG  17           HA       ARG  17  20.616   2.945   4.043
  146    HB2  ARG  17           HB2      ARG  17  19.641   0.684   3.770
  147    HB3  ARG  17           HB1      ARG  17  19.829   0.835   2.022
  148    HG2  ARG  17           HG2      ARG  17  22.250   1.052   2.262
  149    HG3  ARG  17           HG1      ARG  17  22.105   1.025   4.018
  150    HD2  ARG  17           HD2      ARG  17  21.199  -1.230   2.211
  151    HD3  ARG  17           HD1      ARG  17  22.761  -1.187   3.024
  152    HE   ARG  17           HE       ARG  17  20.748  -0.784   4.952
  153   HH11  ARG  17          HH21      ARG  17  21.953  -3.195   2.780
  154   HH12  ARG  17          HH22      ARG  17  21.457  -4.530   3.767
  155   HH21  ARG  17          HH11      ARG  17  20.095  -2.529   6.250
  156   HH22  ARG  17          HH12      ARG  17  20.405  -4.151   5.732
  157    HN1  NH2  18           HN1      NH2  18  20.130   2.166   0.566
  158    HN2  NH2  18           HN2      NH2  18  21.278   3.286   0.017
  Start of MODEL   19
    1    H1   LYS   1           HT1      LYS   1  20.466   4.992  -4.579
    2    H2   LYS   1           HT2      LYS   1  19.655   6.297  -5.300
    3    H3   LYS   1           HT3      LYS   1  18.780   4.953  -4.744
    4    HA   LYS   1           HA       LYS   1  19.882   5.574  -2.472
    5    HB2  LYS   1           HB2      LYS   1  21.218   7.404  -3.511
    6    HB3  LYS   1           HB1      LYS   1  19.716   8.219  -3.948
    7    HG2  LYS   1           HG2      LYS   1  19.082   8.360  -1.576
    8    HG3  LYS   1           HG1      LYS   1  20.559   7.511  -1.121
    9    HD2  LYS   1           HD2      LYS   1  21.913   9.325  -2.088
   10    HD3  LYS   1           HD1      LYS   1  20.442  10.177  -2.561
   11    HE2  LYS   1           HE2      LYS   1  21.289  11.101  -0.457
   12    HE3  LYS   1           HE1      LYS   1  19.758  10.272  -0.172
   13    HZ1  LYS   1           HZ1      LYS   1  20.833   8.458   0.779
   14    HZ2  LYS   1           HZ2      LYS   1  21.668   9.794   1.413
   15    HZ3  LYS   1           HZ3      LYS   1  22.347   8.887   0.149
   16    H    TRP   2           HN       TRP   2  17.825   4.584  -2.167
   17    HA   TRP   2           HA       TRP   2  15.674   6.516  -1.766
   18    HB2  TRP   2           HB2      TRP   2  15.359   5.688  -4.096
   19    HB3  TRP   2           HB1      TRP   2  15.238   4.047  -3.462
   20    HD1  TRP   2           HD1      TRP   2  13.620   7.435  -2.486
   21    HE1  TRP   2           HE1      TRP   2  11.099   7.034  -2.123
   22    HE3  TRP   2           HE3      TRP   2  13.363   2.438  -3.510
   23    HZ2  TRP   2           HZ2      TRP   2   9.221   4.881  -2.250
   24    HZ3  TRP   2           HZ3      TRP   2  11.198   1.239  -3.382
   25    HH2  TRP   2           HH2      TRP   2   9.128   2.451  -2.755
   26    H    CYS   3           HN       CYS   3  13.915   5.630  -0.479
   27    HA   CYS   3           HA       CYS   3  14.919   3.759   1.505
   28    HB2  CYS   3           HB2      CYS   3  12.323   5.309   1.331
   29    HB3  CYS   3           HB1      CYS   3  12.804   4.305   2.698
   30    H    PHE   4           HN       PHE   4  13.445   2.014   2.315
   31    HA   PHE   4           HA       PHE   4  11.943   0.725   0.098
   32    HB2  PHE   4           HB2      PHE   4  13.814  -0.591   2.083
   33    HB3  PHE   4           HB1      PHE   4  12.805  -1.445   0.915
   34    HD1  PHE   4           HD2      PHE   4  13.239  -1.255  -1.509
   35    HD2  PHE   4           HD1      PHE   4  15.787   0.627   1.391
   36    HE1  PHE   4           HE2      PHE   4  14.978  -0.929  -3.249
   37    HE2  PHE   4           HE1      PHE   4  17.526   0.954  -0.346
   38    HZ   PHE   4           HZ       PHE   4  17.121   0.176  -2.666
   39    H    ARG   5           HN       ARG   5  10.221  -0.624   0.720
   40    HA   ARG   5           HA       ARG   5   9.434  -0.786   3.509
   41    HB2  ARG   5           HB2      ARG   5   7.135   0.261   2.847
   42    HB3  ARG   5           HB1      ARG   5   8.482   1.335   3.218
   43    HG2  ARG   5           HG2      ARG   5   8.981   1.581   0.828
   44    HG3  ARG   5           HG1      ARG   5   7.680   0.460   0.424
   45    HD2  ARG   5           HD2      ARG   5   7.278   3.052   1.934
   46    HD3  ARG   5           HD1      ARG   5   7.034   2.872   0.200
   47    HE   ARG   5           HE       ARG   5   5.514   0.887   1.450
   48   HH11  ARG   5          HH21      ARG   5   5.747   4.335   1.321
   49   HH12  ARG   5          HH22      ARG   5   4.056   4.599   1.590
   50   HH21  ARG   5          HH11      ARG   5   3.293   1.223   1.802
   51   HH22  ARG   5          HH12      ARG   5   2.667   2.836   1.864
   52    H    VAL   6           HN       VAL   6   9.249  -2.975   3.390
   53    HA   VAL   6           HA       VAL   6   7.295  -4.081   1.440
   54    HB   VAL   6           HB       VAL   6   9.849  -5.295   2.517
   55   HG11  VAL   6          HG11      VAL   6   9.115  -7.241   0.993
   56   HG12  VAL   6          HG12      VAL   6   7.501  -6.531   1.065
   57   HG13  VAL   6          HG13      VAL   6   8.288  -7.089   2.542
   58   HG21  VAL   6          HG21      VAL   6  10.146  -3.799   0.605
   59   HG22  VAL   6          HG22      VAL   6   8.858  -4.627  -0.273
   60   HG23  VAL   6          HG23      VAL   6  10.366  -5.469   0.085
   61    H    CYS   7           HN       CYS   7   5.635  -5.162   2.269
   62    HA   CYS   7           HA       CYS   7   5.418  -5.419   5.175
   63    HB2  CYS   7           HB2      CYS   7   3.361  -6.130   3.083
   64    HB3  CYS   7           HB1      CYS   7   3.091  -5.797   4.793
   65    H    TYR   8           HN       TYR   8   5.097  -7.358   6.250
   66    HA   TYR   8           HA       TYR   8   5.508  -9.846   4.679
   67    HB2  TYR   8           HB2      TYR   8   6.800  -9.054   7.298
   68    HB3  TYR   8           HB1      TYR   8   6.865 -10.675   6.607
   69    HD1  TYR   8           HD2      TYR   8   8.036 -11.088   4.463
   70    HD2  TYR   8           HD1      TYR   8   8.090  -7.235   6.362
   71    HE1  TYR   8           HE2      TYR   8   9.937 -10.405   3.023
   72    HE2  TYR   8           HE1      TYR   8   9.990  -6.551   4.923
   73    HH   TYR   8           HH       TYR   8  10.895  -8.216   2.164
   74    H    ARG   9           HN       ARG   9   5.201  -9.440   8.157
   75    HA   ARG   9           HA       ARG   9   2.981 -11.307   8.215
   76    HB2  ARG   9           HB2      ARG   9   4.220  -9.780  10.518
   77    HB3  ARG   9           HB1      ARG   9   3.235 -11.237  10.615
   78    HG2  ARG   9           HG2      ARG   9   5.875 -11.159   9.131
   79    HG3  ARG   9           HG1      ARG   9   5.756 -11.581  10.835
   80    HD2  ARG   9           HD2      ARG   9   4.416 -13.030   8.533
   81    HD3  ARG   9           HD1      ARG   9   5.756 -13.616   9.503
   82    HE   ARG   9           HE       ARG   9   2.958 -13.536  10.292
   83   HH11  ARG   9          HH21      ARG   9   6.278 -13.755  11.229
   84   HH12  ARG   9          HH22      ARG   9   5.946 -14.514  12.751
   85   HH21  ARG   9          HH11      ARG   9   2.508 -14.526  12.289
   86   HH22  ARG   9          HH12      ARG   9   3.809 -14.949  13.352
   87    H    GLY  10           HN       GLY  10   2.783  -8.514   7.071
   88    HA2  GLY  10           HA2      GLY  10   0.692  -7.369   6.811
   89    HA3  GLY  10           HA1      GLY  10   0.296  -7.759   8.482
   90    H    ILE  11           HN       ILE  11   3.307  -6.994   8.965
   91    HA   ILE  11           HA       ILE  11   2.761  -4.107   9.345
   92    HB   ILE  11           HB       ILE  11   4.802  -5.894  10.695
   93   HG12  ILE  11          HG12      ILE  11   2.281  -4.671  11.847
   94   HG13  ILE  11          HG11      ILE  11   2.341  -6.316  11.215
   95   HG21  ILE  11          HG21      ILE  11   3.964  -3.013  11.141
   96   HG22  ILE  11          HG22      ILE  11   5.549  -3.579  10.613
   97   HG23  ILE  11          HG23      ILE  11   4.985  -3.929  12.246
   98   HD11  ILE  11          HD11      ILE  11   4.103  -6.897  12.811
   99   HD12  ILE  11          HD12      ILE  11   2.708  -6.251  13.673
  100   HD13  ILE  11          HD13      ILE  11   4.130  -5.240  13.415
  101    H    CYS  12           HN       CYS  12   3.727  -2.758   7.998
  102    HA   CYS  12           HA       CYS  12   6.099  -3.647   6.486
  103    HB2  CYS  12           HB2      CYS  12   4.668  -1.067   5.931
  104    HB3  CYS  12           HB1      CYS  12   5.460  -2.175   4.810
  105    H    TYR  13           HN       TYR  13   8.047  -2.770   6.774
  106    HA   TYR  13           HA       TYR  13   8.303  -0.507   8.686
  107    HB2  TYR  13           HB2      TYR  13  10.251  -2.741   8.070
  108    HB3  TYR  13           HB1      TYR  13  10.542  -1.408   9.187
  109    HD1  TYR  13           HD2      TYR  13   9.083  -1.150  11.226
  110    HD2  TYR  13           HD1      TYR  13   8.931  -4.625   8.705
  111    HE1  TYR  13           HE2      TYR  13   7.927  -2.406  13.025
  112    HE2  TYR  13           HE1      TYR  13   7.775  -5.880  10.505
  113    HH   TYR  13           HH       TYR  13   6.316  -5.276  12.520
  114    H    ARG  14           HN       ARG  14   9.520   1.219   8.131
  115    HA   ARG  14           HA       ARG  14  10.301   1.451   5.313
  116    HB2  ARG  14           HB2      ARG  14  10.577   3.869   5.889
  117    HB3  ARG  14           HB1      ARG  14   8.949   3.259   6.183
  118    HG2  ARG  14           HG2      ARG  14   9.502   2.955   8.577
  119    HG3  ARG  14           HG1      ARG  14  11.116   3.596   8.280
  120    HD2  ARG  14           HD2      ARG  14   8.574   5.120   7.685
  121    HD3  ARG  14           HD1      ARG  14   9.485   5.288   9.182
  122    HE   ARG  14           HE       ARG  14  11.246   5.673   7.014
  123   HH11  ARG  14          HH21      ARG  14   8.508   7.112   8.564
  124   HH12  ARG  14          HH22      ARG  14   8.936   8.733   8.121
  125   HH21  ARG  14          HH11      ARG  14  11.814   7.792   6.430
  126   HH22  ARG  14          HH12      ARG  14  10.807   9.117   6.912
  127    H    ARG  15           HN       ARG  15  12.357   1.577   4.627
  128    HA   ARG  15           HA       ARG  15  14.528   1.795   6.639
  129    HB2  ARG  15           HB2      ARG  15  14.507  -0.076   4.259
  130    HB3  ARG  15           HB1      ARG  15  15.772   0.068   5.472
  131    HG2  ARG  15           HG2      ARG  15  12.922  -0.714   6.145
  132    HG3  ARG  15           HG1      ARG  15  14.178  -1.894   5.784
  133    HD2  ARG  15           HD2      ARG  15  14.133   0.085   8.079
  134    HD3  ARG  15           HD1      ARG  15  14.079  -1.666   8.173
  135    HE   ARG  15           HE       ARG  15  16.435  -1.014   6.836
  136   HH11  ARG  15          HH21      ARG  15  14.939  -0.499   9.917
  137   HH12  ARG  15          HH22      ARG  15  16.437  -0.437  10.784
  138   HH21  ARG  15          HH11      ARG  15  18.395  -0.935   7.964
  139   HH22  ARG  15          HH12      ARG  15  18.396  -0.685   9.677
  140    H    CYS  16           HN       CYS  16  16.071   3.202   6.134
  141    HA   CYS  16           HA       CYS  16  16.289   4.169   3.340
  142    HB2  CYS  16           HB2      CYS  16  16.300   5.863   5.849
  143    HB3  CYS  16           HB1      CYS  16  16.606   6.450   4.213
  144    H    ARG  17           HN       ARG  17  18.345   4.895   2.718
  145    HA   ARG  17           HA       ARG  17  20.574   4.592   4.594
  146    HB2  ARG  17           HB2      ARG  17  20.203   2.330   3.601
  147    HB3  ARG  17           HB1      ARG  17  20.450   3.030   2.002
  148    HG2  ARG  17           HG2      ARG  17  22.714   3.791   2.718
  149    HG3  ARG  17           HG1      ARG  17  22.463   2.994   4.270
  150    HD2  ARG  17           HD2      ARG  17  22.373   1.604   1.581
  151    HD3  ARG  17           HD1      ARG  17  23.756   1.589   2.672
  152    HE   ARG  17           HE       ARG  17  21.268   0.113   2.996
  153   HH11  ARG  17          HH21      ARG  17  24.147   1.374   4.445
  154   HH12  ARG  17          HH22      ARG  17  24.141   0.249   5.763
  155   HH21  ARG  17          HH11      ARG  17  21.255  -1.364   4.719
  156   HH22  ARG  17          HH12      ARG  17  22.504  -1.299   5.917
  157    HN1  NH2  18           HN1      NH2  18  19.389   5.570   1.388
  158    HN2  NH2  18           HN2      NH2  18  20.623   6.700   1.104
  Start of MODEL   20
    1    H1   LYS   1           HT1      LYS   1  20.516   5.815  -2.719
    2    H2   LYS   1           HT2      LYS   1  19.650   5.222  -1.382
    3    H3   LYS   1           HT3      LYS   1  20.947   6.295  -1.151
    4    HA   LYS   1           HA       LYS   1  19.161   7.707  -0.920
    5    HB2  LYS   1           HB2      LYS   1  19.637   7.686  -3.917
    6    HB3  LYS   1           HB1      LYS   1  19.072   9.047  -2.952
    7    HG2  LYS   1           HG2      LYS   1  21.770   7.700  -2.613
    8    HG3  LYS   1           HG1      LYS   1  21.504   9.200  -3.499
    9    HD2  LYS   1           HD2      LYS   1  20.452  10.104  -1.331
   10    HD3  LYS   1           HD1      LYS   1  21.167   8.700  -0.536
   11    HE2  LYS   1           HE2      LYS   1  23.392   9.354  -1.296
   12    HE3  LYS   1           HE1      LYS   1  22.713  10.727  -2.169
   13    HZ1  LYS   1           HZ1      LYS   1  22.121  11.783  -0.197
   14    HZ2  LYS   1           HZ2      LYS   1  23.660  11.145   0.140
   15    HZ3  LYS   1           HZ3      LYS   1  22.265  10.372   0.730
   16    H    TRP   2           HN       TRP   2  18.071   5.117  -0.997
   17    HA   TRP   2           HA       TRP   2  15.449   5.706  -2.179
   18    HB2  TRP   2           HB2      TRP   2  16.752   4.367  -3.860
   19    HB3  TRP   2           HB1      TRP   2  16.842   3.068  -2.671
   20    HD1  TRP   2           HD1      TRP   2  14.652   1.732  -2.124
   21    HE1  TRP   2           HE1      TRP   2  12.354   1.581  -3.285
   22    HE3  TRP   2           HE3      TRP   2  14.973   5.760  -5.246
   23    HZ2  TRP   2           HZ2      TRP   2  10.851   2.983  -5.273
   24    HZ3  TRP   2           HZ3      TRP   2  13.097   6.329  -6.761
   25    HH2  TRP   2           HH2      TRP   2  11.038   4.948  -6.779
   26    H    CYS   3           HN       CYS   3  13.752   4.777  -1.084
   27    HA   CYS   3           HA       CYS   3  14.444   3.307   1.400
   28    HB2  CYS   3           HB2      CYS   3  12.144   5.187   0.823
   29    HB3  CYS   3           HB1      CYS   3  12.334   4.256   2.311
   30    H    PHE   4           HN       PHE   4  13.192   1.556   2.004
   31    HA   PHE   4           HA       PHE   4  11.462   0.423  -0.123
   32    HB2  PHE   4           HB2      PHE   4  13.216  -0.947   1.931
   33    HB3  PHE   4           HB1      PHE   4  12.079  -1.787   0.874
   34    HD1  PHE   4           HD2      PHE   4  12.363  -1.629  -1.627
   35    HD2  PHE   4           HD1      PHE   4  15.338  -0.207   1.125
   36    HE1  PHE   4           HE2      PHE   4  14.047  -1.626  -3.449
   37    HE2  PHE   4           HE1      PHE   4  17.021  -0.205  -0.696
   38    HZ   PHE   4           HZ       PHE   4  16.376  -0.914  -2.983
   39    H    ARG   5           HN       ARG   5   9.496  -0.434   0.441
   40    HA   ARG   5           HA       ARG   5   8.681  -0.402   3.269
   41    HB2  ARG   5           HB2      ARG   5   8.076   1.809   2.335
   42    HB3  ARG   5           HB1      ARG   5   7.154   1.009   1.067
   43    HG2  ARG   5           HG2      ARG   5   5.717  -0.047   2.790
   44    HG3  ARG   5           HG1      ARG   5   6.628   0.797   4.045
   45    HD2  ARG   5           HD2      ARG   5   5.158   2.176   1.786
   46    HD3  ARG   5           HD1      ARG   5   4.494   1.943   3.401
   47    HE   ARG   5           HE       ARG   5   6.966   3.181   3.732
   48   HH11  ARG   5          HH21      ARG   5   3.930   3.776   2.192
   49   HH12  ARG   5          HH22      ARG   5   4.011   5.496   2.380
   50   HH21  ARG   5          HH11      ARG   5   7.086   5.437   3.985
   51   HH22  ARG   5          HH12      ARG   5   5.800   6.439   3.397
   52    H    VAL   6           HN       VAL   6   8.541  -2.655   3.217
   53    HA   VAL   6           HA       VAL   6   6.270  -3.730   1.644
   54    HB   VAL   6           HB       VAL   6   9.019  -4.956   1.949
   55   HG11  VAL   6          HG11      VAL   6   7.923  -6.823   0.555
   56   HG12  VAL   6          HG12      VAL   6   6.379  -6.149   1.077
   57   HG13  VAL   6          HG13      VAL   6   7.517  -6.776   2.270
   58   HG21  VAL   6          HG21      VAL   6   9.055  -4.858  -0.464
   59   HG22  VAL   6          HG22      VAL   6   8.589  -3.261   0.120
   60   HG23  VAL   6          HG23      VAL   6   7.365  -4.359  -0.521
   61    H    CYS   7           HN       CYS   7   4.923  -5.042   2.755
   62    HA   CYS   7           HA       CYS   7   5.351  -5.326   5.624
   63    HB2  CYS   7           HB2      CYS   7   3.050  -5.794   3.748
   64    HB3  CYS   7           HB1      CYS   7   3.016  -6.487   5.370
   65    H    TYR   8           HN       TYR   8   6.659  -6.946   6.238
   66    HA   TYR   8           HA       TYR   8   6.825  -9.423   4.725
   67    HB2  TYR   8           HB2      TYR   8   8.189  -8.479   7.255
   68    HB3  TYR   8           HB1      TYR   8   8.497 -10.037   6.488
   69    HD1  TYR   8           HD2      TYR   8   9.448 -10.131   4.177
   70    HD2  TYR   8           HD1      TYR   8   9.078  -6.442   6.346
   71    HE1  TYR   8           HE2      TYR   8  11.036  -9.049   2.608
   72    HE2  TYR   8           HE1      TYR   8  10.665  -5.360   4.775
   73    HH   TYR   8           HH       TYR   8  11.983  -7.137   1.982
   74    H    ARG   9           HN       ARG   9   5.797  -8.401   7.968
   75    HA   ARG   9           HA       ARG   9   4.369 -10.981   8.287
   76    HB2  ARG   9           HB2      ARG   9   5.609  -9.144  10.344
   77    HB3  ARG   9           HB1      ARG   9   4.541 -10.489  10.750
   78    HG2  ARG   9           HG2      ARG   9   6.070 -12.058   9.633
   79    HG3  ARG   9           HG1      ARG   9   7.130 -10.723   9.187
   80    HD2  ARG   9           HD2      ARG   9   7.505 -10.213  11.567
   81    HD3  ARG   9           HD1      ARG   9   6.426 -11.529  12.023
   82    HE   ARG   9           HE       ARG   9   8.102 -13.063  11.455
   83   HH11  ARG   9          HH21      ARG   9   8.903  -9.840  10.478
   84   HH12  ARG   9          HH22      ARG   9  10.560 -10.210  10.132
   85   HH21  ARG   9          HH11      ARG   9  10.272 -13.553  11.004
   86   HH22  ARG   9          HH12      ARG   9  11.334 -12.311  10.430
   87    H    GLY  10           HN       GLY  10   3.528  -8.361   7.030
   88    HA2  GLY  10           HA2      GLY  10   1.222  -7.714   6.840
   89    HA3  GLY  10           HA1      GLY  10   1.010  -8.049   8.554
   90    H    ILE  11           HN       ILE  11   3.780  -6.649   8.855
   91    HA   ILE  11           HA       ILE  11   2.684  -3.891   8.950
   92    HB   ILE  11           HB       ILE  11   4.935  -5.128  10.558
   93   HG12  ILE  11          HG12      ILE  11   2.178  -4.252  11.466
   94   HG13  ILE  11          HG11      ILE  11   2.577  -5.923  11.070
   95   HG21  ILE  11          HG21      ILE  11   4.673  -2.992  11.876
   96   HG22  ILE  11          HG22      ILE  11   3.611  -2.401  10.598
   97   HG23  ILE  11          HG23      ILE  11   5.303  -2.753  10.245
   98   HD11  ILE  11          HD11      ILE  11   4.254  -6.006  12.808
   99   HD12  ILE  11          HD12      ILE  11   2.771  -5.377  13.525
  100   HD13  ILE  11          HD13      ILE  11   4.087  -4.277  13.117
  101    H    CYS  12           HN       CYS  12   3.531  -2.446   7.619
  102    HA   CYS  12           HA       CYS  12   5.920  -3.118   6.066
  103    HB2  CYS  12           HB2      CYS  12   3.822  -0.966   5.867
  104    HB3  CYS  12           HB1      CYS  12   5.296  -0.925   4.902
  105    H    TYR  13           HN       TYR  13   7.869  -2.393   6.545
  106    HA   TYR  13           HA       TYR  13   8.149  -0.105   8.419
  107    HB2  TYR  13           HB2      TYR  13  10.037  -2.415   7.896
  108    HB3  TYR  13           HB1      TYR  13  10.309  -1.100   9.037
  109    HD1  TYR  13           HD2      TYR  13   8.824  -0.842  11.033
  110    HD2  TYR  13           HD1      TYR  13   8.542  -4.226   8.404
  111    HE1  TYR  13           HE2      TYR  13   7.521  -2.068  12.751
  112    HE2  TYR  13           HE1      TYR  13   7.240  -5.452  10.120
  113    HH   TYR  13           HH       TYR  13   6.197  -5.303  12.087
  114    H    ARG  14           HN       ARG  14   9.383   1.594   7.819
  115    HA   ARG  14           HA       ARG  14  10.243   1.723   5.028
  116    HB2  ARG  14           HB2      ARG  14  10.168   3.801   7.234
  117    HB3  ARG  14           HB1      ARG  14  10.659   4.121   5.570
  118    HG2  ARG  14           HG2      ARG  14   8.463   3.433   4.750
  119    HG3  ARG  14           HG1      ARG  14   7.963   3.002   6.388
  120    HD2  ARG  14           HD2      ARG  14   7.084   5.208   5.841
  121    HD3  ARG  14           HD1      ARG  14   8.323   5.366   7.084
  122    HE   ARG  14           HE       ARG  14   9.508   5.653   4.523
  123   HH11  ARG  14          HH21      ARG  14   7.377   7.230   6.749
  124   HH12  ARG  14          HH22      ARG  14   7.798   8.828   6.232
  125   HH21  ARG  14          HH11      ARG  14  10.066   7.748   3.843
  126   HH22  ARG  14          HH12      ARG  14   9.320   9.121   4.587
  127    H    ARG  15           HN       ARG  15  12.197   0.926   4.578
  128    HA   ARG  15           HA       ARG  15  14.417   1.334   6.504
  129    HB2  ARG  15           HB2      ARG  15  14.124  -0.702   4.276
  130    HB3  ARG  15           HB1      ARG  15  15.501  -0.567   5.366
  131    HG2  ARG  15           HG2      ARG  15  12.708  -0.931   6.457
  132    HG3  ARG  15           HG1      ARG  15  13.649  -2.319   5.920
  133    HD2  ARG  15           HD2      ARG  15  15.483  -1.628   7.467
  134    HD3  ARG  15           HD1      ARG  15  14.464  -0.323   8.057
  135    HE   ARG  15           HE       ARG  15  13.208  -2.915   8.233
  136   HH11  ARG  15          HH21      ARG  15  15.342  -0.620   9.701
  137   HH12  ARG  15          HH22      ARG  15  15.077  -1.197  11.315
  138   HH21  ARG  15          HH11      ARG  15  12.853  -3.676  10.353
  139   HH22  ARG  15          HH12      ARG  15  13.670  -2.924  11.683
  140    H    CYS  16           HN       CYS  16  15.356   3.212   5.945
  141    HA   CYS  16           HA       CYS  16  15.952   3.738   3.098
  142    HB2  CYS  16           HB2      CYS  16  16.025   5.570   5.503
  143    HB3  CYS  16           HB1      CYS  16  16.398   6.046   3.846
  144    H    ARG  17           HN       ARG  17  18.011   3.985   2.373
  145    HA   ARG  17           HA       ARG  17  20.287   4.279   4.061
  146    HB2  ARG  17           HB2      ARG  17  19.727   1.912   4.572
  147    HB3  ARG  17           HB1      ARG  17  19.876   1.531   2.858
  148    HG2  ARG  17           HG2      ARG  17  22.224   2.264   2.882
  149    HG3  ARG  17           HG1      ARG  17  22.083   2.688   4.587
  150    HD2  ARG  17           HD2      ARG  17  23.115   0.493   4.407
  151    HD3  ARG  17           HD1      ARG  17  21.503   0.319   5.090
  152    HE   ARG  17           HE       ARG  17  20.810  -0.749   3.119
  153   HH11  ARG  17          HH21      ARG  17  24.004   0.568   2.838
  154   HH12  ARG  17          HH22      ARG  17  24.362  -0.264   1.363
  155   HH21  ARG  17          HH11      ARG  17  21.278  -1.838   1.187
  156   HH22  ARG  17          HH12      ARG  17  22.821  -1.625   0.429
  157    HN1  NH2  18           HN1      NH2  18  21.465   5.582   2.667
  158    HN2  NH2  18           HN2      NH2  18  21.694   5.280   1.012