*HEADER    IMMUNE SYSTEM                           28-JUL-08   2RPS              
*TITLE     SOLUTION STRUCTURE OF A NOVEL INSECT CHEMOKINE ISOLATED FROM          
*TITLE    2 INTEGUMENT                                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CHEMOKINE;                                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 21-52;                                        
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: PSEUDALETIA SEPARATA;                           
*SOURCE   3 ORGANISM_COMMON: MYTHIMNA SEPARATA, ORIENTAL ARMYWORM;               
*SOURCE   4 ORGANISM_TAXID: 271217;                                              
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET32B+                                    
*KEYWDS    PEPTIDE, IMMUNE SYSTEM                                                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.KAMIYA, S.NAKATOGAWA, Y.ODA, T.KAMIJIMA, T.AIZAWA,                  
*AUTHOR   2 M.DEMURA, Y.HAYAKAWA, K.KAWANO                                       
*REVDAT   1   16-JUN-09 2RPS    0                                                


assign (resid 1 and name HA) (resid 2 and name HN) 2.9 1.1 0.0
assign (resid 2 and name HN) (resid 2 and name HA) 2.9 1.1 0.0
assign (resid 2 and name HN) (resid 2 and name HB) 3.5 1.7 0.0
assign (resid 2 and name HN) (resid 3 and name HN) 5.0 3.2 0.0
assign (resid 2 and name HA) (resid 3 and name HN) 2.9 1.1 0.0
assign (resid 2 and name HB) (resid 3 and name HN) 5.0 3.2 0.0
assign (resid 3 and name HN) (resid 3 and name HA) 2.9 1.1 0.0
assign (resid 3 and name HA) (resid 4 and name HN) 2.9 1.1 0.0
assign (resid 3 and name HB2) (resid 4 and name HN) 5.0 3.2 0.0
assign (resid 3 and name HB2) (resid 5 and name HN) 5.0 3.2 0.0
assign (resid 3 and name HB2) (resid 6 and name HN) 6.0 4.2 0.0
assign (resid 4 and name HN) (resid 4 and name HA) 3.5 1.7 0.0
assign (resid 4 and name HN) (resid 4 and name HB) 3.5 1.7 0.0
assign (resid 4 and name HN) (resid 5 and name HN) 2.9 1.1 0.0
assign (resid 4 and name HA) (resid 5 and name HN) 3.5 1.7 0.0
assign (resid 4 and name HB) (resid 5 and name HN) 5.0 3.2 0.0
assign (resid 4 and name HG11) (resid 5 and name HN) 5.0 3.2 0.0
assign (resid 5 and name HN) (resid 5 and name HA) 2.9 1.1 0.0
assign (resid 5 and name HN) (resid 5 and name HG) 5.0 3.2 0.0
assign (resid 5 and name HA) (resid 6 and name HN) 3.5 1.7 0.0
assign (resid 5 and name HN) (resid 6 and name HN) 3.5 1.7 0.0
assign (resid 6 and name HN) (resid 6 and name HA) 2.9 1.1 0.0
assign (resid 6 and name HN) (resid 6 and name HB2) 3.5 1.7 0.0
assign (resid 6 and name HN) (resid 6 and name HB1) 3.5 1.7 0.0
assign (resid 6 and name HN) (resid 7 and name HN) 5.0 3.2 0.0
assign (resid 6 and name HN) (resid 7 and name HA) 6.0 4.2 0.0
assign (resid 6 and name HA) (resid 7 and name HN) 2.9 1.1 0.0
assign (resid 6 and name HB2) (resid 7 and name HN) 5.0 3.2 0.0
assign (resid 6 and name HB1) (resid 7 and name HN) 5.0 3.2 0.0
assign (resid 7 and name HN) (resid 7 and name HA) 3.5 1.7 0.0
assign (resid 7 and name HN) (resid 7 and name HB1) 5.0 3.2 0.0
assign (resid 7 and name HN) (resid 7 and name HB2) 2.9 1.1 0.0
assign (resid 7 and name HA) (resid 7 and name HB1) 2.9 1.1 0.0
assign (resid 7 and name HA) (resid 7 and name HB2) 3.5 1.7 0.0
assign (resid 7 and name HN) (resid 8 and name HD1) 5.0 3.2 0.0
assign (resid 7 and name HN) (resid 8 and name HD2) 5.0 3.2 0.0
assign (resid 7 and name HA) (resid 8 and name HD1) 2.9 1.1 0.0
assign (resid 7 and name HA) (resid 8 and name HD2) 2.9 1.1 0.0
assign (resid 7 and name HB1) (resid 11 and name HN) 5.0 3.2 0.0
assign (resid 7 and name HB1) (resid 13 and name HN) 5.0 3.2 0.0
assign (resid 8 and name HA) (resid 9 and name HN) 2.9 1.1 0.0
assign (resid 8 and name HB1) (resid 9 and name HN) 2.9 1.1 0.0
assign (resid 8 and name HB2) (resid 9 and name HN) 2.9 1.1 0.0
assign (resid 8 and name HG2) (resid 9 and name HN) 5.0 3.2 0.0
assign (resid 8 and name HA) (resid 11 and name HN) 6.0 4.2 0.0
assign (resid 9 and name HN) (resid 9 and name HA) 2.9 1.1 0.0
assign (resid 9 and name HA) (resid 10 and name HN) 2.9 1.1 0.0
assign (resid 9 and name HN) (resid 10 and name HN) 5.0 3.2 0.0
assign (resid 9 and name HA) (resid 11 and name HN) 5.0 3.2 0.0
assign (resid 9 and name HN) (resid 11 and name HN) 5.0 3.2 0.0
assign (resid 10 and name HN) (resid 10 and name HA1) 3.5 1.7 0.0
assign (resid 10 and name HN) (resid 10 and name HA2) 2.9 1.1 0.0
assign (resid 10 and name HN) (resid 11 and name HN) 2.9 1.1 0.0
assign (resid 10 and name HN) (resid 11 and name HA) 5.0 3.2 0.0
assign (resid 10 and name HA1) (resid 11 and name HN) 3.5 1.7 0.0
assign (resid 10 and name HA2) (resid 11 and name HN) 3.5 1.7 0.0
assign (resid 11 and name HN) (resid 11 and name HA) 3.5 1.7 0.0
assign (resid 11 and name HA) (resid 12 and name HN) 2.9 1.1 0.0
assign (resid 11 and name HN) (resid 12 and name HA) 5.0 3.2 0.0
assign (resid 11 and name HN) (resid 12 and name HN) 5.0 3.2 0.0
assign (resid 11 and name HG2) (resid 12 and name HN) 5.0 3.2 0.0
assign (resid 11 and name HA) (resid 20 and name HN) 5.0 3.2 0.0
assign (resid 11 and name HA) (resid 21 and name HN) 5.0 3.2 0.0
assign (resid 11 and name HN) (resid 21 and name HA) 5.0 3.2 0.0
assign (resid 11 and name HA) (resid 22 and name HN) 3.5 1.7 0.0
assign (resid 12 and name HN) (resid 12 and name HA) 3.5 1.7 0.0
assign (resid 12 and name HA) (resid 13 and name HN) 2.9 1.1 0.0
assign (resid 12 and name HN) (resid 13 and name HN) 5.0 3.2 0.0
assign (resid 12 and name HN) (resid 19 and name HA) 5.0 3.2 0.0
assign (resid 12 and name HN) (resid 20 and name HN) 5.0 3.2 0.0
assign (resid 12 and name HN) (resid 21 and name HA) 5.0 3.2 0.0
assign (resid 12 and name HN) (resid 22 and name HA) 6.0 4.2 0.0
assign (resid 12 and name HN) (resid 22 and name HN) 5.0 3.2 0.0
assign (resid 13 and name HN) (resid 13 and name HA) 2.9 1.1 0.0
assign (resid 13 and name HA) (resid 14 and name HN) 2.9 1.1 0.0
assign (resid 13 and name HB1) (resid 14 and name HN) 5.0 3.2 0.0
assign (resid 13 and name HB2) (resid 14 and name HN) 5.0 3.2 0.0
assign (resid 13 and name HA) (resid 18 and name HN) 6.0 4.2 0.0
assign (resid 13 and name HA) (resid 19 and name HN) 5.0 3.2 0.0
assign (resid 13 and name HN) (resid 19 and name HA) 5.0 3.2 0.0
assign (resid 13 and name HA) (resid 20 and name HN) 5.0 3.2 0.0
assign (resid 14 and name HN) (resid 14 and name HG) 2.9 1.1 0.0
assign (resid 14 and name HN) (resid 14 and name HA) 3.5 1.7 0.0
assign (resid 14 and name HA) (resid 15 and name HN) 2.9 1.1 0.0
assign (resid 14 and name HG) (resid 15 and name HN) 5.0 3.2 0.0
assign (resid 14 and name HN) (resid 15 and name HN) 5.0 3.2 0.0
assign (resid 14 and name HA) (resid 16 and name HN) 5.0 3.2 0.0
assign (resid 14 and name HG) (resid 16 and name HN) 6.0 4.2 0.0
assign (resid 14 and name HN) (resid 16 and name HN) 5.0 3.2 0.0
assign (resid 14 and name HA) (resid 17 and name HN) 5.0 3.2 0.0
assign (resid 14 and name HB1) (resid 17 and name HN) 5.0 3.2 0.0
assign (resid 14 and name HG) (resid 17 and name HN) 5.0 3.2 0.0
assign (resid 14 and name HN) (resid 17 and name HA2) 5.0 3.2 0.0
assign (resid 14 and name HN) (resid 17 and name HN) 3.5 1.7 0.0
assign (resid 14 and name HG) (resid 18 and name HN) 5.0 3.2 0.0
assign (resid 14 and name HN) (resid 18 and name HN) 5.0 3.2 0.0
assign (resid 14 and name HG) (resid 19 and name HN) 6.0 4.2 0.0
assign (resid 14 and name HN) (resid 19 and name HN) 5.0 3.2 0.0
assign (resid 14 and name HN) (resid 19 and name HA) 3.5 1.7 0.0
assign (resid 14 and name HN) (resid 20 and name HN) 5.0 3.2 0.0
assign (resid 15 and name HN) (resid 15 and name HA) 2.9 1.1 0.0
assign (resid 15 and name HA) (resid 16 and name HN) 3.5 1.7 0.0
assign (resid 15 and name HN) (resid 16 and name HN) 2.9 1.1 0.0
assign (resid 15 and name HA) (resid 17 and name HN) 5.0 3.2 0.0
assign (resid 15 and name HN) (resid 17 and name HN) 5.0 3.2 0.0
assign (resid 16 and name HN) (resid 16 and name HA) 2.9 1.1 0.0
assign (resid 16 and name HN) (resid 16 and name HB1) 3.5 1.7 0.0
assign (resid 16 and name HN) (resid 16 and name HB2) 3.5 1.7 0.0
assign (resid 16 and name HA) (resid 17 and name HN) 5.0 3.2 0.0
assign (resid 16 and name HB2) (resid 17 and name HN) 3.5 1.7 0.0
assign (resid 16 and name HN) (resid 17 and name HA1) 6.0 4.2 0.0
assign (resid 16 and name HN) (resid 17 and name HN) 2.9 1.1 0.0
assign (resid 16 and name HN) (resid 17 and name HA2) 5.0 3.2 0.0
assign (resid 16 and name HA) (resid 18 and name HN) 5.0 3.2 0.0
assign (resid 16 and name HB2) (resid 18 and name HN) 3.5 1.7 0.0
assign (resid 16 and name HN) (resid 18 and name HN) 5.0 3.2 0.0
assign (resid 17 and name HN) (resid 17 and name HA2) 2.9 1.1 0.0
assign (resid 17 and name HN) (resid 17 and name HA1) 3.5 1.7 0.0
assign (resid 17 and name HA1) (resid 18 and name HN) 3.5 1.7 0.0
assign (resid 17 and name HA2) (resid 18 and name HN) 3.5 1.7 0.0
assign (resid 17 and name HN) (resid 18 and name HA) 5.0 3.2 0.0
assign (resid 17 and name HN) (resid 18 and name HN) 2.9 1.1 0.0
assign (resid 18 and name HA) (resid 19 and name HN) 2.9 1.1 0.0
assign (resid 18 and name HB1) (resid 19 and name HN) 2.9 1.1 0.0
assign (resid 18 and name HB2) (resid 19 and name HN) 5.0 3.2 0.0
assign (resid 18 and name HN) (resid 19 and name HN) 5.0 3.2 0.0
assign (resid 19 and name HN) (resid 19 and name HB1) 3.5 1.7 0.0
assign (resid 19 and name HN) (resid 19 and name HA) 3.5 1.7 0.0
assign (resid 19 and name HN) (resid 20 and name HN) 5.0 3.2 0.0
assign (resid 19 and name HA) (resid 20 and name HN) 2.9 1.1 0.0
assign (resid 19 and name HB1) (resid 20 and name HN) 5.0 3.2 0.0
assign (resid 19 and name HB2) (resid 20 and name HN) 5.0 3.2 0.0
assign (resid 20 and name HN) (resid 20 and name HA) 3.5 1.7 0.0
assign (resid 20 and name HN) (resid 20 and name HB) 2.9 1.1 0.0
assign (resid 20 and name HA) (resid 21 and name HN) 2.9 1.1 0.0
assign (resid 20 and name HB) (resid 21 and name HN) 5.0 3.2 0.0
assign (resid 20 and name HN) (resid 21 and name HN) 5.0 3.2 0.0
assign (resid 21 and name HN) (resid 21 and name HA) 2.9 1.1 0.0
assign (resid 21 and name HA) (resid 22 and name HN) 2.9 1.1 0.0
assign (resid 21 and name HN) (resid 22 and name HN) 5.0 3.2 0.0
assign (resid 21 and name HN) (resid 23 and name HN) 6.0 4.2 0.0
assign (resid 21 and name HN) (resid 22 and name HA) 6.0 4.2 0.0
assign (resid 22 and name HN) (resid 22 and name HA) 2.9 1.1 0.0
assign (resid 22 and name HN) (resid 22 and name HB) 3.5 1.7 0.0
assign (resid 22 and name HN) (resid 23 and name HN) 5.0 3.2 0.0
assign (resid 22 and name HB) (resid 23 and name HN) 5.0 3.2 0.0
assign (resid 22 and name HA) (resid 23 and name HN) 2.9 1.1 0.0
assign (resid 22 and name HN) (resid 24 and name HN) 6.0 4.2 0.0
assign (resid 22 and name HA) (resid 24 and name HN) 5.0 3.2 0.0
assign (resid 23 and name HN) (resid 23 and name HB) 3.5 1.7 0.0
assign (resid 23 and name HN) (resid 23 and name HA) 3.5 1.7 0.0
assign (resid 23 and name HA) (resid 24 and name HN) 2.9 1.1 0.0
assign (resid 23 and name HB) (resid 24 and name HN) 5.0 3.2 0.0
assign (resid 23 and name HN) (resid 24 and name HA) 5.0 3.2 0.0
assign (resid 23 and name HN) (resid 24 and name HN) 3.5 1.7 0.0
assign (resid 24 and name HN) (resid 24 and name HA) 2.9 1.1 0.0
assign (resid 24 and name HN) (resid 24 and name HB1) 3.5 1.7 0.0
assign (resid 24 and name HN) (resid 24 and name HB2) 2.9 1.1 0.0
assign (resid 24 and name HN) (resid 25 and name HD1) 5.0 3.2 0.0
assign (resid 24 and name HN) (resid 25 and name HD2) 5.0 3.2 0.0
assign (resid 26 and name HA) (resid 27 and name HN) 2.9 1.1 0.0
assign (resid 26 and name HB1) (resid 27 and name HN) 5.0 3.2 0.0
assign (resid 26 and name HB2) (resid 27 and name HN) 3.5 1.7 0.0
assign (resid 26 and name HG2) (resid 27 and name HN) 5.0 3.2 0.0
assign (resid 27 and name HN) (resid 27 and name HB1) 3.5 1.7 0.0
assign (resid 27 and name HN) (resid 27 and name HB2) 3.5 1.7 0.0
assign (resid 27 and name HN) (resid 27 and name HA) 2.9 1.1 0.0
assign (resid 27 and name HA) (resid 28 and name HN) 2.9 1.1 0.0
assign (resid 27 and name HB1) (resid 28 and name HN) 5.0 3.2 0.0
assign (resid 27 and name HB2) (resid 28 and name HN) 5.0 3.2 0.0
assign (resid 27 and name HN) (resid 28 and name HN) 5.0 3.2 0.0
assign (resid 28 and name HN) (resid 28 and name HB1) 3.5 1.7 0.0
assign (resid 28 and name HN) (resid 28 and name HB2) 3.5 1.7 0.0
assign (resid 28 and name HN) (resid 29 and name HD1) 5.0 3.2 0.0
assign (resid 28 and name HN) (resid 29 and name HD2) 5.0 3.2 0.0
assign (resid 29 and name HA) (resid 30 and name HN) 3.5 1.7 0.0
assign (resid 30 and name HN) (resid 30 and name HA) 2.9 1.1 0.0
assign (resid 30 and name HN) (resid 30 and name HB1) 3.5 1.7 0.0
assign (resid 30 and name HA) (resid 31 and name HN) 3.5 1.7 0.0
assign (resid 30 and name HN) (resid 31 and name HN) 3.5 1.7 0.0
assign (resid 31 and name HN) (resid 31 and name HA) 2.9 1.1 0.0
assign (resid 31 and name HA) (resid 32 and name HN) 3.5 1.7 0.0
assign (resid 32 and name HN) (resid 32 and name HB1) 3.5 1.7 0.0
assign (resid 32 and name HN) (resid 32 and name HA) 2.9 1.1 0.0
assign (resid 1 and name HB#) (resid 2 and name HN) 5.0 3.2 1.0
assign (resid 2 and name HN) (resid 2 and name HG1#) 5.0 3.2 1.0
assign (resid 2 and name HN) (resid 2 and name HG2#) 3.5 1.7 1.0
assign (resid 2 and name HG1#) (resid 3 and name HN) 5.0 3.2 1.0
assign (resid 2 and name HG2#) (resid 3 and name HN) 5.0 3.2 1.0
assign (resid 3 and name HN) (resid 3 and name HB#) 3.5 1.7 1.0
assign (resid 3 and name HN) (resid 3 and name HG#) 3.5 1.7 1.0
assign (resid 3 and name HG#) (resid 4 and name HN) 5.0 3.2 1.0
assign (resid 5 and name HN) (resid 5 and name HB#) 3.5 1.7 1.0
assign (resid 5 and name HN) (resid 5 and name HD1#) 5.0 3.2 1.0
assign (resid 5 and name HN) (resid 5 and name HD2#) 5.0 3.2 1.0
assign (resid 6 and name HN) (resid 6 and name HG#) 5.0 3.2 1.0
assign (resid 6 and name HN) (resid 6 and name HD#) 5.0 3.2 1.0
assign (resid 6 and name HG#) (resid 7 and name HN) 5.0 3.2 1.0
assign (resid 6 and name HD#) (resid 7 and name HN) 6.0 4.2 1.0
assign (resid 9 and name HN) (resid 9 and name HB#) 2.9 1.1 1.0
assign (resid 9 and name HB#) (resid 10 and name HN) 5.0 3.2 1.0
assign (resid 9 and name HB#) (resid 11 and name HN) 6.0 4.2 1.0
assign (resid 11 and name HN) (resid 11 and name HG#) 5.0 3.2 1.0
assign (resid 11 and name HG#) (resid 22 and name HN) 6.0 4.2 1.0
assign (resid 12 and name HN) (resid 12 and name HG#) 5.0 3.2 1.0
assign (resid 12 and name HB#) (resid 13 and name HN) 5.0 3.2 1.0
assign (resid 12 and name HG#) (resid 13 and name HN) 5.0 3.2 1.0
assign (resid 13 and name HG#) (resid 14 and name HN) 5.0 3.2 1.0
assign (resid 13 and name HG#) (resid 17 and name HN) 6.0 4.2 1.0
assign (resid 14 and name HN) (resid 14 and name HD1#) 5.0 3.2 1.0
assign (resid 14 and name HN) (resid 14 and name HD2#) 5.0 3.2 1.0
assign (resid 14 and name HN) (resid 14 and name HB#) 3.5 1.7 1.0
assign (resid 14 and name HA) (resid 14 and name HD1#) 5.0 3.2 1.0
assign (resid 14 and name HA) (resid 14 and name HD2#) 3.5 1.7 1.0
assign (resid 14 and name HB#) (resid 15 and name HN) 2.9 1.1 1.0
assign (resid 14 and name HD1#) (resid 15 and name HN) 6.0 4.2 1.0
assign (resid 14 and name HD2#) (resid 15 and name HN) 5.0 3.2 1.0
assign (resid 14 and name HB#) (resid 16 and name HN) 2.9 1.1 1.0
assign (resid 14 and name HD1#) (resid 16 and name HN) 6.0 4.2 1.0
assign (resid 14 and name HD2#) (resid 16 and name HN) 6.0 4.2 1.0
assign (resid 14 and name HD1#) (resid 17 and name HN) 6.0 4.2 1.0
assign (resid 14 and name HD2#) (resid 17 and name HN) 6.0 4.2 1.0
assign (resid 15 and name HN) (resid 15 and name HG#) 5.0 3.2 1.0
assign (resid 15 and name HN) (resid 15 and name HB#) 2.9 1.1 1.0
assign (resid 15 and name HN) (resid 15 and name HD#) 5.0 3.2 1.0
assign (resid 15 and name HB#) (resid 16 and name HN) 3.5 1.7 1.0
assign (resid 18 and name HN) (resid 18 and name HG#) 3.5 1.7 1.0
assign (resid 18 and name HG#) (resid 19 and name HN) 5.0 3.2 1.0
assign (resid 20 and name HN) (resid 20 and name HG1#) 5.0 3.2 1.0
assign (resid 20 and name HN) (resid 20 and name HG2#) 5.0 3.2 1.0
assign (resid 21 and name HN) (resid 21 and name HB#) 2.9 1.1 1.0
assign (resid 21 and name HB#) (resid 22 and name HN) 3.5 1.7 1.0
assign (resid 21 and name HB#) (resid 23 and name HN) 5.0 3.2 1.0
assign (resid 22 and name HN) (resid 22 and name HG2#) 5.0 3.2 1.0
assign (resid 23 and name HN) (resid 23 and name HG2#) 5.0 3.2 1.0
assign (resid 23 and name HG2#) (resid 24 and name HN) 5.0 3.2 1.0
assign (resid 24 and name HN) (resid 24 and name HG#) 5.0 3.2 1.0
assign (resid 27 and name HD#) (resid 28 and name HN) 5.0 3.2 1.0
set message=off echo=off end
restraints dihedral reset
!! restraints 1 C (kcal/molrad), 2 angle, 3 angle range, 4 exponent

!Q3 7.3 Hz
assign (resid  2 and name    C) (resid  3 and name    N)
       (resid  3 and name   CA) (resid  3 and name    C)  1.0  -90.0   90.0 2

!I4 7.7 Hz
assign (resid  3 and name    C) (resid  4 and name    N)
       (resid  4 and name   CA) (resid  4 and name    C)  1.0  -90.0   90.0 2

!L5 7.3 Hz
assign (resid  4 and name    C) (resid  5 and name    N)
       (resid  5 and name   CA) (resid  5 and name    C)  1.0  -90.0   90.0 2

!R6 7.6 Hz
assign (resid  4 and name    C) (resid  5 and name    N)
       (resid  5 and name   CA) (resid  5 and name    C)  1.0  -90.0   90.0 2

!C7 6.8 Hz
assign (resid  6 and name    C) (resid  7 and name    N)
       (resid  7 and name   CA) (resid  7 and name    C)  1.0  -120.0   40.0 2

!P8 

!D9 3.2 Hz
assign (resid  8 and name    C) (resid  9 and name    N)
       (resid  9 and name   CA) (resid  9 and name    C)  1.0  -60.0   40.0 2

!G10 5.2 Hz & 7.7 Hz
!assign (resid  9 and name    C) (resid 10 and name    N)
!       (resid 10 and name   CA) (resid 10 and name    C)  1.0  -120.0   40.0 2

!M11 9.0 Hz
assign (resid 10 and name    C) (resid 11 and name    N)
       (resid 11 and name   CA) (resid 11 and name    C)  1.0  -120.0   40.0 2

!Q12 8.8 Hz
assign (resid 11 and name    C) (resid 12 and name    N)
       (resid 12 and name   CA) (resid 12 and name    C)  1.0  -120.0   40.0 2

!M13 7.1 Hz
assign (resid 12 and name    C) (resid 13 and name    N)
       (resid 13 and name   CA) (resid 13 and name    C)  1.0  -60.0    40.0 2

!L14 8.0 Hz
assign (resid 13 and name    C) (resid 14 and name    N)
       (resid 14 and name   CA) (resid 14 and name    C)  1.0  -120.0   40.0 2

!R15 3.0 Hz 
assign (resid 14 and name    C) (resid 15 and name    N)
       (resid 15 and name   CA) (resid 15 and name    C)  1.0  -60.0   40.0 2

!S16 5.5 Hz
assign (resid 15 and name    C) (resid 16 and name    N)
       (resid 16 and name   CA) (resid 16 and name    C)  1.0  -60.0   40.0 2

!G17 4.5 Hz & 7.8 Hz 
!assign (resid 16 and name    C) (resid 17 and name    N)
!       (resid 17 and name   CA) (resid 17 and name    C)  1.0  -120.0   40.0 2

!Q18 7.1 Hz
assign (resid 17 and name    C) (resid 18 and name    N)
       (resid 18 and name   CA) (resid 18 and name    C)  1.0  -60.0   40.0 2

!C19 8.2 Hz
assign (resid 18 and name    C) (resid 19 and name    N)
       (resid 19 and name   CA) (resid 19 and name    C)  1.0  -120.0   40.0 2

!V20 8.8 Hz
assign (resid 19 and name    C) (resid 20 and name    N)
       (resid 20 and name   CA) (resid 20 and name    C)  1.0  -120.0   40.0 2

!A21 5.3 Hz
assign (resid 19 and name    C) (resid 20 and name    N)
       (resid 20 and name   CA) (resid 20 and name    C)  1.0  -60.0   40.0 2

!T22 6.4 Hz
assign (resid 21 and name    C) (resid 22 and name    N)
       (resid 22 and name   CA) (resid 22 and name    C)  1.0  -60.0   30.0 2

!T23 8.3 Hz
assign (resid 22 and name    C) (resid 23 and name    N)
       (resid 23 and name   CA) (resid 23 and name    C)  1.0  -120.0   40.0 2

!Y24 6.6 Hz
assign (resid 23 and name    C) (resid 24 and name    N)
       (resid 24 and name   CA) (resid 24 and name    C)  1.0  -60.0   40.0 2

!P25

!P26

!F27 6.3 Hz
!assign (resid 26 and name    C) (resid 27 and name    N)
!       (resid 27 and name   CA) (resid 27 and name    C)  1.0  -120.0   40.0 2

!D28 7.4
!assign (resid 27 and name    C) (resid 28 and name    N)
!       (resid 28 and name   CA) (resid 28 and name    C)  1.0  -120.0   40.0 2
!P29 

!D30 7.1 Hz
!assign (resid 30 and name    C) (resid 31 and name    N)
!       (resid 31 and name   CA) (resid 31 and name    C)  1.0  -120.0   40.0 2

!S31 7.6 Hz
!assign (resid 30 and name    C) (resid 31 and name    N)
!       (resid 31 and name   CA) (resid 31 and name    C)  1.0  -120.0   40.0 2

!AGF Y32 8.1 Hz 
!assign (resid 31 and name    C) (resid 32 and name    N)
!       (resid 32 and name   CA) (resid 32 and name    C)  1.0  -120.0   40.0 2

end

set message=on echo=on end


set message=off echo=off end

!assign (resid 16 and  name N    ) (resid 14 and  name O    ) 3.0 0.3 0.3
!assign (resid 16 and  name HN   ) (resid 14 and  name O    ) 2.1 0.2 0.2


assign (resid 17 and  name N    ) (resid 14 and  name O    ) 3.0 0.3 0.3
assign (resid 17 and  name HN   ) (resid 14 and  name O    ) 2.1 0.2 0.2

!assign (resid 18 and  name N    ) (resid 14 and  name OG1  ) 3.0 0.3 0.3
!assign (resid 18 and  name HN   ) (resid 14 and  name OG1  ) 2.0 0.2 0.2
assign (resid 14 and  name N    ) (resid 18 and  name O    ) 3.0 0.3 0.3
assign (resid 14 and  name HN   ) (resid 18 and  name O    ) 2.0 0.2 0.2

assign (resid 20 and  name N    ) (resid 12 and  name O    ) 3.0 0.3 0.3
assign (resid 20 and  name HN   ) (resid 12 and  name O    ) 2.0 0.2 0.2
assign (resid 12 and  name N    ) (resid 20 and  name O    ) 3.0 0.3 0.3
assign (resid 12 and  name HN   ) (resid 20 and  name O    ) 2.0 0.2 0.2

assign (resid 11 and  name N    ) (resid 8 and  name O    ) 3.0 0.3 0.3
assign (resid 11 and  name HN   ) (resid 8 and  name O    ) 2.0 0.2 0.2

assign (resid 22 and  name N    ) (resid 10 and  name O    ) 3.0 0.3 0.3
assign (resid 22 and  name HN   ) (resid 10 and  name O    ) 2.0 0.2 0.2

!assign (resid 23 and  name N    ) (resid 21 and  name O    ) 3.0 0.3 0.3
!assign (resid 23 and  name HN   ) (resid 21 and  name O    ) 2.0 0.2 0.2

set message=on echo=on end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   SER   1           1HT      SER   1 -18.155  -1.270  -2.752
    2    H2   SER   1           2HT      SER   1 -17.903   0.390  -3.111
    3    H3   SER   1           3HT      SER   1 -17.395  -0.251  -1.602
    4    HA   SER   1           HA       SER   1 -15.651   0.141  -3.321
    5    HB2  SER   1           2HB      SER   1 -14.840  -2.377  -2.796
    6    HB3  SER   1           1HB      SER   1 -14.844  -1.101  -1.578
    7    HG   SER   1           HG       SER   1 -17.069  -2.796  -2.005
    8    H    VAL   2           H        VAL   2 -17.973  -0.341  -4.966
    9    HA   VAL   2           HA       VAL   2 -17.321  -2.641  -6.613
   10    HB   VAL   2           HB       VAL   2 -19.406  -0.523  -7.145
   11   HG11  VAL   2          1HG1      VAL   2 -18.654  -3.096  -8.389
   12   HG12  VAL   2          2HG1      VAL   2 -19.365  -1.650  -9.107
   13   HG13  VAL   2          3HG1      VAL   2 -20.380  -2.780  -8.211
   14   HG21  VAL   2          3HG2      VAL   2 -20.274  -1.283  -5.197
   15   HG22  VAL   2          1HG2      VAL   2 -19.384  -2.804  -5.266
   16   HG23  VAL   2          2HG2      VAL   2 -20.843  -2.592  -6.233
   17    H    GLN   3           H        GLN   3 -15.317  -2.146  -7.504
   18    HA   GLN   3           HA       GLN   3 -15.396  -0.499  -9.847
   19    HB2  GLN   3           2HB      GLN   3 -13.375   0.864  -9.121
   20    HB3  GLN   3           1HB      GLN   3 -14.917   1.310  -8.405
   21    HG2  GLN   3           2HG      GLN   3 -13.415  -0.664  -6.861
   22    HG3  GLN   3           1HG      GLN   3 -12.602   0.890  -7.036
   23   HE21  GLN   3          1HE2      GLN   3 -12.853   1.285  -4.818
   24   HE22  GLN   3          2HE2      GLN   3 -14.373   1.763  -4.153
   25    H    ILE   4           H        ILE   4 -13.211  -0.511 -10.968
   26    HA   ILE   4           HA       ILE   4 -12.253  -3.215 -11.013
   27    HB   ILE   4           HB       ILE   4 -12.492  -1.914 -13.083
   28   HG12  ILE   4          2HG1      ILE   4  -9.563  -2.304 -13.007
   29   HG13  ILE   4          1HG1      ILE   4 -10.523  -3.681 -12.474
   30   HG21  ILE   4          1HG2      ILE   4 -11.932   0.286 -12.373
   31   HG22  ILE   4          2HG2      ILE   4 -10.750  -0.185 -13.594
   32   HG23  ILE   4          3HG2      ILE   4 -10.314  -0.217 -11.885
   33   HD11  ILE   4          3HD1      ILE   4 -10.781  -4.240 -14.594
   34   HD12  ILE   4          1HD1      ILE   4  -9.992  -2.756 -15.127
   35   HD13  ILE   4          2HD1      ILE   4 -11.731  -2.772 -14.828
   36    H    LEU   5           H        LEU   5 -11.094  -0.149  -9.781
   37    HA   LEU   5           HA       LEU   5  -8.421  -1.039  -9.288
   38    HB2  LEU   5           2HB      LEU   5 -10.021   1.385  -8.724
   39    HB3  LEU   5           1HB      LEU   5  -8.680   1.075  -7.639
   40    HG   LEU   5           HG       LEU   5  -7.184   0.951  -9.655
   41   HD11  LEU   5          1HD1      LEU   5  -9.764   1.647 -10.980
   42   HD12  LEU   5          2HD1      LEU   5  -8.500   0.528 -11.492
   43   HD13  LEU   5          3HD1      LEU   5  -8.251   2.268 -11.638
   44   HD21  LEU   5          3HD2      LEU   5  -6.745   3.171  -9.515
   45   HD22  LEU   5          1HD2      LEU   5  -7.874   3.055  -8.167
   46   HD23  LEU   5          2HD2      LEU   5  -8.432   3.633  -9.737
   47    H    ARG   6           H        ARG   6 -10.680   0.176  -6.846
   48    HA   ARG   6           HA       ARG   6 -11.168  -0.505  -4.734
   49    HB2  ARG   6           2HB      ARG   6 -12.049  -2.495  -5.816
   50    HB3  ARG   6           1HB      ARG   6 -10.444  -3.207  -5.874
   51    HG2  ARG   6           2HG      ARG   6 -10.519  -3.882  -3.732
   52    HG3  ARG   6           1HG      ARG   6 -11.374  -2.433  -3.196
   53    HD2  ARG   6           2HD      ARG   6 -13.115  -3.837  -2.961
   54    HD3  ARG   6           1HD      ARG   6 -13.283  -3.621  -4.704
   55    HE   ARG   6           HE       ARG   6 -11.513  -5.762  -4.001
   56   HH11  ARG   6          1HH1      ARG   6 -14.856  -4.886  -4.486
   57   HH12  ARG   6          2HH1      ARG   6 -15.357  -6.503  -4.851
   58   HH21  ARG   6          1HH2      ARG   6 -12.171  -7.889  -4.480
   59   HH22  ARG   6          2HH2      ARG   6 -13.833  -8.209  -4.846
   60    H    CYS   7           H        CYS   7  -9.961  -0.002  -3.040
   61    HA   CYS   7           HA       CYS   7  -7.288  -1.211  -2.797
   62    HB2  CYS   7           2HB      CYS   7  -8.084   1.649  -2.722
   63    HB3  CYS   7           1HB      CYS   7  -6.885   1.132  -1.541
   64    HA   PRO   8           HA       PRO   8  -9.982  -2.106   0.943
   65    HB2  PRO   8           2HB      PRO   8  -8.277  -4.537   0.801
   66    HB3  PRO   8           1HB      PRO   8 -10.015  -4.397   1.083
   67    HG2  PRO   8           2HG      PRO   8  -9.078  -5.244  -1.263
   68    HG3  PRO   8           1HG      PRO   8 -10.498  -4.186  -1.175
   69    HD2  PRO   8           2HD      PRO   8  -7.679  -3.521  -1.914
   70    HD3  PRO   8           1HD      PRO   8  -9.199  -2.904  -2.592
   71    H    ASP   9           H        ASP   9  -8.801  -3.473   2.970
   72    HA   ASP   9           HA       ASP   9  -7.165  -1.575   4.192
   73    HB2  ASP   9           2HB      ASP   9  -7.636  -4.494   4.787
   74    HB3  ASP   9           1HB      ASP   9  -6.624  -3.478   5.808
   75    H    GLY  10           H        GLY  10  -5.092  -1.077   3.954
   76    HA2  GLY  10           2HA      GLY  10  -2.782  -1.966   4.019
   77    HA3  GLY  10           1HA      GLY  10  -3.294  -3.120   2.797
   78    H    MET  11           H        MET  11  -4.897  -1.045   1.404
   79    HA   MET  11           HA       MET  11  -2.656   0.215  -0.009
   80    HB2  MET  11           2HB      MET  11  -5.514  -0.183  -0.912
   81    HB3  MET  11           1HB      MET  11  -4.201   0.458  -1.889
   82    HG2  MET  11           2HG      MET  11  -3.113  -1.878  -1.166
   83    HG3  MET  11           1HG      MET  11  -4.818  -2.320  -1.123
   84    HE1  MET  11           3HE      MET  11  -3.321  -3.935  -2.586
   85    HE2  MET  11           1HE      MET  11  -2.226  -3.219  -3.770
   86    HE3  MET  11           2HE      MET  11  -3.737  -3.955  -4.300
   87    H    GLN  12           H        GLN  12  -2.238   2.191   0.748
   88    HA   GLN  12           HA       GLN  12  -4.389   3.888   1.717
   89    HB2  GLN  12           2HB      GLN  12  -1.677   3.584   2.364
   90    HB3  GLN  12           1HB      GLN  12  -1.800   5.174   1.624
   91    HG2  GLN  12           2HG      GLN  12  -3.915   5.254   3.290
   92    HG3  GLN  12           1HG      GLN  12  -2.834   4.194   4.193
   93   HE21  GLN  12          1HE2      GLN  12  -2.405   5.648   5.806
   94   HE22  GLN  12          2HE2      GLN  12  -1.484   7.090   5.561
   95    H    MET  13           H        MET  13  -5.369   5.374   0.522
   96    HA   MET  13           HA       MET  13  -4.396   5.930  -2.155
   97    HB2  MET  13           2HB      MET  13  -6.832   5.465  -1.539
   98    HB3  MET  13           1HB      MET  13  -6.860   7.088  -0.864
   99    HG2  MET  13           2HG      MET  13  -6.230   7.987  -3.066
  100    HG3  MET  13           1HG      MET  13  -6.291   6.353  -3.725
  101    HE1  MET  13           3HE      MET  13  -9.237   7.046  -5.525
  102    HE2  MET  13           1HE      MET  13  -7.510   7.392  -5.449
  103    HE3  MET  13           2HE      MET  13  -8.679   8.674  -5.140
  104    H    LEU  14           H        LEU  14  -3.768   7.920  -2.931
  105    HA   LEU  14           HA       LEU  14  -3.040   9.883  -0.875
  106    HB2  LEU  14           2HB      LEU  14  -2.054   9.751  -3.721
  107    HB3  LEU  14           1HB      LEU  14  -1.386  10.701  -2.406
  108    HG   LEU  14           HG       LEU  14  -1.438   7.708  -2.233
  109   HD11  LEU  14          1HD1      LEU  14   0.251   9.398  -3.972
  110   HD12  LEU  14          2HD1      LEU  14  -0.229   7.709  -4.144
  111   HD13  LEU  14          3HD1      LEU  14   1.073   8.146  -3.039
  112   HD21  LEU  14          3HD2      LEU  14   0.381   9.822  -1.084
  113   HD22  LEU  14          1HD2      LEU  14   0.492   8.086  -0.789
  114   HD23  LEU  14          2HD2      LEU  14  -0.913   8.989  -0.222
  115    H    ARG  15           H        ARG  15  -3.111  12.201  -1.561
  116    HA   ARG  15           HA       ARG  15  -5.718  12.952  -2.241
  117    HB2  ARG  15           2HB      ARG  15  -4.808  15.250  -2.399
  118    HB3  ARG  15           1HB      ARG  15  -4.296  14.414  -0.940
  119    HG2  ARG  15           2HG      ARG  15  -2.175  13.826  -2.254
  120    HG3  ARG  15           1HG      ARG  15  -2.692  15.085  -3.378
  121    HD2  ARG  15           2HD      ARG  15  -1.096  15.843  -1.602
  122    HD3  ARG  15           1HD      ARG  15  -2.606  16.748  -1.682
  123    HE   ARG  15           HE       ARG  15  -2.656  14.578   0.202
  124   HH11  ARG  15          1HH1      ARG  15  -1.819  17.932  -0.278
  125   HH12  ARG  15          2HH1      ARG  15  -1.945  18.333   1.402
  126   HH21  ARG  15          1HH2      ARG  15  -2.823  15.105   2.411
  127   HH22  ARG  15          2HH2      ARG  15  -2.515  16.728   2.929
  128    H    SER  16           H        SER  16  -2.872  12.464  -4.202
  129    HA   SER  16           HA       SER  16  -3.843  13.770  -6.535
  130    HB2  SER  16           2HB      SER  16  -1.920  11.546  -6.880
  131    HB3  SER  16           1HB      SER  16  -1.843  13.207  -7.466
  132    HG   SER  16           HG       SER  16  -0.742  12.114  -5.247
  133    H    GLY  17           H        GLY  17  -4.095  10.514  -5.257
  134    HA2  GLY  17           2HA      GLY  17  -6.268   9.455  -6.014
  135    HA3  GLY  17           1HA      GLY  17  -5.665   9.748  -7.639
  136    H    GLN  18           H        GLN  18  -2.890   9.096  -6.805
  137    HA   GLN  18           HA       GLN  18  -2.863   6.390  -7.519
  138    HB2  GLN  18           2HB      GLN  18  -0.858   8.321  -6.468
  139    HB3  GLN  18           1HB      GLN  18  -0.456   6.611  -6.390
  140    HG2  GLN  18           2HG      GLN  18  -1.347   6.829  -8.943
  141    HG3  GLN  18           1HG      GLN  18  -0.614   8.412  -8.693
  142   HE21  GLN  18          1HE2      GLN  18   1.502   7.917  -7.131
  143   HE22  GLN  18          2HE2      GLN  18   2.618   6.859  -7.917
  144    H    CYS  19           H        CYS  19  -2.452   4.507  -6.341
  145    HA   CYS  19           HA       CYS  19  -3.139   4.699  -3.484
  146    HB2  CYS  19           2HB      CYS  19  -4.414   3.261  -5.421
  147    HB3  CYS  19           1HB      CYS  19  -3.307   2.055  -4.774
  148    H    VAL  20           H        VAL  20  -1.422   4.531  -2.210
  149    HA   VAL  20           HA       VAL  20   0.921   3.037  -3.092
  150    HB   VAL  20           HB       VAL  20   0.586   4.625  -0.546
  151   HG11  VAL  20          1HG1      VAL  20   2.824   4.363  -0.186
  152   HG12  VAL  20          2HG1      VAL  20   3.194   4.191  -1.901
  153   HG13  VAL  20          3HG1      VAL  20   2.486   2.843  -1.011
  154   HG21  VAL  20          3HG2      VAL  20   0.203   5.962  -2.636
  155   HG22  VAL  20          1HG2      VAL  20   1.856   5.569  -3.109
  156   HG23  VAL  20          2HG2      VAL  20   1.557   6.503  -1.643
  157    H    ALA  21           H        ALA  21   0.605   0.890  -2.815
  158    HA   ALA  21           HA       ALA  21  -0.801  -0.229  -0.604
  159    HB1  ALA  21           1HB      ALA  21  -0.853  -1.537  -2.534
  160    HB2  ALA  21           2HB      ALA  21   0.281  -2.389  -1.486
  161    HB3  ALA  21           3HB      ALA  21   0.883  -1.381  -2.802
  162    H    THR  22           H        THR  22   0.035  -1.498   1.105
  163    HA   THR  22           HA       THR  22   2.309  -0.410   2.373
  164    HB   THR  22           HB       THR  22   0.490  -1.344   3.673
  165    HG1  THR  22           1HG      THR  22   2.130  -1.604   4.969
  166   HG21  THR  22          3HG2      THR  22  -0.531  -3.174   2.946
  167   HG22  THR  22          1HG2      THR  22   0.800  -4.073   3.672
  168   HG23  THR  22          2HG2      THR  22   0.851  -3.655   1.960
  169    H    THR  23           H        THR  23   3.920  -0.674   0.696
  170    HA   THR  23           HA       THR  23   5.167  -3.336   0.807
  171    HB   THR  23           HB       THR  23   4.170  -3.160  -1.380
  172    HG1  THR  23           1HG      THR  23   6.078  -3.252  -2.654
  173   HG21  THR  23          3HG2      THR  23   5.449  -1.206  -2.786
  174   HG22  THR  23          1HG2      THR  23   5.096  -0.402  -1.257
  175   HG23  THR  23          2HG2      THR  23   3.789  -1.125  -2.194
  176    H    GLU  24           H        GLU  24   5.670  -0.956   2.387
  177    HA   GLU  24           HA       GLU  24   8.068   0.272   1.393
  178    HB2  GLU  24           2HB      GLU  24   6.429   0.459   3.870
  179    HB3  GLU  24           1HB      GLU  24   8.108   0.972   3.968
  180    HG2  GLU  24           2HG      GLU  24   6.674   2.034   1.655
  181    HG3  GLU  24           1HG      GLU  24   6.018   2.542   3.210
  182    HA   PRO  25           HA       PRO  25  10.968  -2.717   2.872
  183    HB2  PRO  25           2HB      PRO  25  13.183  -1.191   3.091
  184    HB3  PRO  25           1HB      PRO  25  12.494  -1.637   1.525
  185    HG2  PRO  25           2HG      PRO  25  12.214   0.919   3.058
  186    HG3  PRO  25           1HG      PRO  25  12.501   0.682   1.324
  187    HD2  PRO  25           2HD      PRO  25  10.049   1.244   2.359
  188    HD3  PRO  25           1HD      PRO  25  10.280   0.281   0.885
  189    HA   PRO  26           HA       PRO  26  10.551  -1.816   7.314
  190    HB2  PRO  26           2HB      PRO  26  10.782  -4.381   8.141
  191    HB3  PRO  26           1HB      PRO  26   9.278  -3.727   7.484
  192    HG2  PRO  26           2HG      PRO  26  11.371  -5.387   6.132
  193    HG3  PRO  26           1HG      PRO  26   9.605  -5.528   6.047
  194    HD2  PRO  26           2HD      PRO  26  11.078  -4.322   4.111
  195    HD3  PRO  26           1HD      PRO  26   9.418  -3.831   4.504
  196    H    PHE  27           H        PHE  27  11.914  -2.832   9.243
  197    HA   PHE  27           HA       PHE  27  14.555  -1.970   8.907
  198    HB2  PHE  27           2HB      PHE  27  14.903  -3.172  11.142
  199    HB3  PHE  27           1HB      PHE  27  13.704  -1.887  11.101
  200    HD1  PHE  27           2HD      PHE  27  14.179  -5.544  11.148
  201    HD2  PHE  27           1HD      PHE  27  11.422  -2.326  11.543
  202    HE1  PHE  27           2HE      PHE  27  12.494  -7.102  12.032
  203    HE2  PHE  27           1HE      PHE  27   9.731  -3.878  12.429
  204    HZ   PHE  27           HZ       PHE  27  10.265  -6.270  12.673
  205    H    ASP  28           H        ASP  28  16.178  -2.919   7.887
  206    HA   ASP  28           HA       ASP  28  16.125  -5.460   6.772
  207    HB2  ASP  28           2HB      ASP  28  18.224  -3.420   7.272
  208    HB3  ASP  28           1HB      ASP  28  18.774  -5.055   6.912
  209    HA   PRO  29           HA       PRO  29  16.496  -7.870  10.591
  210    HB2  PRO  29           2HB      PRO  29  16.930  -9.969   8.518
  211    HB3  PRO  29           1HB      PRO  29  15.866  -9.983   9.928
  212    HG2  PRO  29           2HG      PRO  29  14.875  -9.617   7.485
  213    HG3  PRO  29           1HG      PRO  29  14.230  -8.723   8.875
  214    HD2  PRO  29           2HD      PRO  29  16.027  -7.789   6.685
  215    HD3  PRO  29           1HD      PRO  29  14.755  -6.911   7.555
  216    H    ASP  30           H        ASP  30  18.114  -9.777  11.121
  217    HA   ASP  30           HA       ASP  30  20.739  -9.319   9.938
  218    HB2  ASP  30           2HB      ASP  30  20.132  -7.902  12.151
  219    HB3  ASP  30           1HB      ASP  30  20.723  -9.382  12.901
  220    H    SER  31           H        SER  31  18.839 -11.523   9.929
  221    HA   SER  31           HA       SER  31  18.839 -13.788  10.066
  222    HB2  SER  31           2HB      SER  31  21.766 -13.285  10.611
  223    HB3  SER  31           1HB      SER  31  21.084 -14.904  10.456
  224    HG   SER  31           HG       SER  31  21.421 -12.912   8.516
  225    H    TYR  32           H        TYR  32  21.306 -13.311  12.554
  226    HA   TYR  32           HA       TYR  32  19.545 -14.647  14.467
  227    HB2  TYR  32           2HB      TYR  32  21.621 -14.871  15.839
  228    HB3  TYR  32           1HB      TYR  32  21.727 -15.647  14.264
  229    HD1  TYR  32           1HD      TYR  32  22.904 -12.849  16.324
  230    HD2  TYR  32           2HD      TYR  32  23.235 -14.815  12.566
  231    HE1  TYR  32           1HE      TYR  32  24.959 -11.583  15.848
  232    HE2  TYR  32           2HE      TYR  32  25.290 -13.555  12.080
  233    HH   TYR  32           HH       TYR  32  26.300 -10.884  13.980
  Start of MODEL    2
    1    H1   SER   1           1HT      SER   1 -21.981  -4.042  -6.964
    2    H2   SER   1           2HT      SER   1 -21.908  -4.296  -8.660
    3    H3   SER   1           3HT      SER   1 -22.796  -2.972  -8.025
    4    HA   SER   1           HA       SER   1 -20.585  -2.468  -9.005
    5    HB2  SER   1           2HB      SER   1 -21.661  -1.693  -6.333
    6    HB3  SER   1           1HB      SER   1 -20.057  -1.103  -6.770
    7    HG   SER   1           HG       SER   1 -21.307   0.408  -7.633
    8    H    VAL   2           H        VAL   2 -18.939  -3.897  -9.307
    9    HA   VAL   2           HA       VAL   2 -17.711  -5.238  -7.046
   10    HB   VAL   2           HB       VAL   2 -18.000  -6.457  -9.159
   11   HG11  VAL   2          1HG1      VAL   2 -16.444  -5.876 -11.054
   12   HG12  VAL   2          2HG1      VAL   2 -16.165  -4.335 -10.246
   13   HG13  VAL   2          3HG1      VAL   2 -17.784  -4.759 -10.799
   14   HG21  VAL   2          3HG2      VAL   2 -15.125  -5.981  -8.385
   15   HG22  VAL   2          1HG2      VAL   2 -15.705  -7.341  -9.343
   16   HG23  VAL   2          2HG2      VAL   2 -16.226  -7.155  -7.669
   17    H    GLN   3           H        GLN   3 -15.599  -4.940  -6.339
   18    HA   GLN   3           HA       GLN   3 -14.614  -2.280  -6.462
   19    HB2  GLN   3           2HB      GLN   3 -13.166  -4.728  -5.447
   20    HB3  GLN   3           1HB      GLN   3 -12.829  -3.054  -5.031
   21    HG2  GLN   3           2HG      GLN   3 -14.435  -2.987  -3.480
   22    HG3  GLN   3           1HG      GLN   3 -15.575  -3.885  -4.482
   23   HE21  GLN   3          1HE2      GLN   3 -12.483  -4.475  -2.832
   24   HE22  GLN   3          2HE2      GLN   3 -12.949  -5.987  -2.138
   25    H    ILE   4           H        ILE   4 -14.490  -2.238  -8.872
   26    HA   ILE   4           HA       ILE   4 -12.545  -3.718 -10.279
   27    HB   ILE   4           HB       ILE   4 -12.755  -1.829 -11.972
   28   HG12  ILE   4          2HG1      ILE   4 -15.214  -0.932 -10.591
   29   HG13  ILE   4          1HG1      ILE   4 -13.697  -0.368  -9.901
   30   HG21  ILE   4          1HG2      ILE   4 -15.489  -2.792 -11.414
   31   HG22  ILE   4          2HG2      ILE   4 -14.233  -4.022 -11.570
   32   HG23  ILE   4          3HG2      ILE   4 -14.529  -2.889 -12.890
   33   HD11  ILE   4          3HD1      ILE   4 -15.078   0.788 -11.975
   34   HD12  ILE   4          1HD1      ILE   4 -13.773  -0.079 -12.783
   35   HD13  ILE   4          2HD1      ILE   4 -13.401   1.106 -11.533
   36    H    LEU   5           H        LEU   5 -12.405  -0.774  -8.411
   37    HA   LEU   5           HA       LEU   5  -9.503  -0.774  -8.675
   38    HB2  LEU   5           2HB      LEU   5 -10.786   0.867 -10.312
   39    HB3  LEU   5           1HB      LEU   5 -10.854   1.871  -8.877
   40    HG   LEU   5           HG       LEU   5  -8.205   0.757  -9.641
   41   HD11  LEU   5          1HD1      LEU   5  -9.405   1.651 -11.731
   42   HD12  LEU   5          2HD1      LEU   5  -7.794   2.268 -11.362
   43   HD13  LEU   5          3HD1      LEU   5  -9.219   3.236 -10.982
   44   HD21  LEU   5          3HD2      LEU   5  -7.381   2.543  -8.476
   45   HD22  LEU   5          1HD2      LEU   5  -8.918   2.319  -7.643
   46   HD23  LEU   5          2HD2      LEU   5  -8.755   3.577  -8.868
   47    H    ARG   6           H        ARG   6  -9.564  -1.513  -6.508
   48    HA   ARG   6           HA       ARG   6 -10.017   0.648  -4.583
   49    HB2  ARG   6           2HB      ARG   6 -11.883  -1.189  -4.707
   50    HB3  ARG   6           1HB      ARG   6 -10.717  -2.163  -3.822
   51    HG2  ARG   6           2HG      ARG   6 -12.147  -1.180  -2.221
   52    HG3  ARG   6           1HG      ARG   6 -10.611  -0.316  -2.126
   53    HD2  ARG   6           2HD      ARG   6 -11.930   1.508  -2.217
   54    HD3  ARG   6           1HD      ARG   6 -11.901   1.193  -3.950
   55    HE   ARG   6           HE       ARG   6 -14.113   0.608  -3.850
   56   HH11  ARG   6          1HH1      ARG   6 -12.812   0.682  -0.611
   57   HH12  ARG   6          2HH1      ARG   6 -14.357   0.487   0.147
   58   HH21  ARG   6          1HH2      ARG   6 -16.145   0.352  -2.854
   59   HH22  ARG   6          2HH2      ARG   6 -16.249   0.299  -1.126
   60    H    CYS   7           H        CYS   7  -8.592   0.717  -2.874
   61    HA   CYS   7           HA       CYS   7  -6.266  -1.052  -3.125
   62    HB2  CYS   7           2HB      CYS   7  -6.643   1.709  -1.996
   63    HB3  CYS   7           1HB      CYS   7  -5.230   0.746  -1.580
   64    HA   PRO   8           HA       PRO   8  -8.400  -2.829   0.574
   65    HB2  PRO   8           2HB      PRO   8  -6.880  -5.153   0.371
   66    HB3  PRO   8           1HB      PRO   8  -8.499  -4.922  -0.287
   67    HG2  PRO   8           2HG      PRO   8  -5.854  -4.762  -1.645
   68    HG3  PRO   8           1HG      PRO   8  -7.402  -5.360  -2.265
   69    HD2  PRO   8           2HD      PRO   8  -6.416  -2.959  -2.969
   70    HD3  PRO   8           1HD      PRO   8  -8.159  -3.237  -2.781
   71    H    ASP   9           H        ASP   9  -6.967  -4.464   2.195
   72    HA   ASP   9           HA       ASP   9  -5.396  -2.681   3.682
   73    HB2  ASP   9           2HB      ASP   9  -5.989  -5.592   3.793
   74    HB3  ASP   9           1HB      ASP   9  -4.575  -5.031   4.680
   75    H    GLY  10           H        GLY  10  -3.452  -1.909   3.215
   76    HA2  GLY  10           2HA      GLY  10  -1.062  -2.650   3.078
   77    HA3  GLY  10           1HA      GLY  10  -1.580  -3.650   1.730
   78    H    MET  11           H        MET  11  -3.409  -1.525   0.755
   79    HA   MET  11           HA       MET  11  -1.357   0.244  -0.406
   80    HB2  MET  11           2HB      MET  11  -3.702  -1.161  -1.584
   81    HB3  MET  11           1HB      MET  11  -3.302   0.427  -2.224
   82    HG2  MET  11           2HG      MET  11  -1.435  -0.301  -3.240
   83    HG3  MET  11           1HG      MET  11  -1.047  -1.441  -1.952
   84    HE1  MET  11           3HE      MET  11  -2.531  -4.430  -2.331
   85    HE2  MET  11           1HE      MET  11  -1.086  -3.483  -1.974
   86    HE3  MET  11           2HE      MET  11  -1.181  -4.420  -3.465
   87    H    GLN  12           H        GLN  12  -1.547   2.355  -0.054
   88    HA   GLN  12           HA       GLN  12  -4.165   3.403   0.805
   89    HB2  GLN  12           2HB      GLN  12  -2.873   5.039   2.206
   90    HB3  GLN  12           1HB      GLN  12  -2.777   3.371   2.749
   91    HG2  GLN  12           2HG      GLN  12  -0.573   3.146   2.104
   92    HG3  GLN  12           1HG      GLN  12  -0.667   4.478   0.953
   93   HE21  GLN  12          1HE2      GLN  12  -1.712   4.400   4.320
   94   HE22  GLN  12          2HE2      GLN  12  -0.629   5.628   4.873
   95    H    MET  13           H        MET  13  -4.927   5.052  -0.348
   96    HA   MET  13           HA       MET  13  -3.617   5.977  -2.664
   97    HB2  MET  13           2HB      MET  13  -5.471   7.581  -2.840
   98    HB3  MET  13           1HB      MET  13  -6.048   5.960  -2.476
   99    HG2  MET  13           2HG      MET  13  -5.849   6.899   0.012
  100    HG3  MET  13           1HG      MET  13  -6.126   8.417  -0.840
  101    HE1  MET  13           3HE      MET  13  -8.817   4.740  -0.976
  102    HE2  MET  13           1HE      MET  13  -8.217   5.202   0.617
  103    HE3  MET  13           2HE      MET  13  -7.081   4.816  -0.676
  104    H    LEU  14           H        LEU  14  -2.744   8.011  -3.165
  105    HA   LEU  14           HA       LEU  14  -1.636   9.421  -0.839
  106    HB2  LEU  14           2HB      LEU  14  -0.717   9.602  -3.703
  107    HB3  LEU  14           1HB      LEU  14   0.121  10.192  -2.280
  108    HG   LEU  14           HG       LEU  14  -0.455   7.271  -2.499
  109   HD11  LEU  14          1HD1      LEU  14   1.105   6.822  -4.061
  110   HD12  LEU  14          2HD1      LEU  14   2.121   8.186  -3.594
  111   HD13  LEU  14          3HD1      LEU  14   0.710   8.448  -4.618
  112   HD21  LEU  14          3HD2      LEU  14   2.016   7.508  -1.497
  113   HD22  LEU  14          1HD2      LEU  14   0.562   7.587  -0.504
  114   HD23  LEU  14          2HD2      LEU  14   1.359   9.073  -1.020
  115    H    ARG  15           H        ARG  15  -1.223  11.811  -1.237
  116    HA   ARG  15           HA       ARG  15  -3.666  13.131  -1.590
  117    HB2  ARG  15           2HB      ARG  15  -2.327  15.213  -1.528
  118    HB3  ARG  15           1HB      ARG  15  -1.913  14.096  -0.234
  119    HG2  ARG  15           2HG      ARG  15   0.013  13.327  -1.640
  120    HG3  ARG  15           1HG      ARG  15  -0.356  14.652  -2.746
  121    HD2  ARG  15           2HD      ARG  15   1.434  15.146  -1.062
  122    HD3  ARG  15           1HD      ARG  15   0.084  16.281  -1.068
  123    HE   ARG  15           HE       ARG  15  -0.215  14.144   0.830
  124   HH11  ARG  15          1HH1      ARG  15   1.140  17.315   0.285
  125   HH12  ARG  15          2HH1      ARG  15   1.172  17.728   1.967
  126   HH21  ARG  15          1HH2      ARG  15  -0.175  14.686   3.041
  127   HH22  ARG  15          2HH2      ARG  15   0.425  16.235   3.532
  128    H    SER  16           H        SER  16  -1.091  12.393  -3.831
  129    HA   SER  16           HA       SER  16  -1.915  14.180  -5.886
  130    HB2  SER  16           2HB      SER  16  -0.010  11.897  -5.670
  131    HB3  SER  16           1HB      SER  16  -0.537  12.373  -7.283
  132    HG   SER  16           HG       SER  16   0.685  14.037  -5.334
  133    H    GLY  17           H        GLY  17  -2.749  10.892  -5.005
  134    HA2  GLY  17           2HA      GLY  17  -5.135  10.410  -5.740
  135    HA3  GLY  17           1HA      GLY  17  -4.531  10.749  -7.354
  136    H    GLN  18           H        GLN  18  -1.935   9.447  -6.748
  137    HA   GLN  18           HA       GLN  18  -2.558   6.864  -7.681
  138    HB2  GLN  18           2HB      GLN  18  -0.002   7.849  -6.401
  139    HB3  GLN  18           1HB      GLN  18  -0.174   6.375  -7.346
  140    HG2  GLN  18           2HG      GLN  18  -0.656   9.153  -8.397
  141    HG3  GLN  18           1HG      GLN  18   0.839   8.240  -8.601
  142   HE21  GLN  18          1HE2      GLN  18  -2.623   8.176  -9.272
  143   HE22  GLN  18          2HE2      GLN  18  -2.509   7.240 -10.720
  144    H    CYS  19           H        CYS  19  -1.245   4.974  -6.393
  145    HA   CYS  19           HA       CYS  19  -2.131   5.015  -3.595
  146    HB2  CYS  19           2HB      CYS  19  -3.631   3.750  -5.443
  147    HB3  CYS  19           1HB      CYS  19  -2.499   2.460  -5.054
  148    H    VAL  20           H        VAL  20  -0.362   4.710  -2.423
  149    HA   VAL  20           HA       VAL  20   1.792   3.025  -3.478
  150    HB   VAL  20           HB       VAL  20   2.423   5.282  -2.742
  151   HG11  VAL  20          1HG1      VAL  20   0.739   5.601  -1.012
  152   HG12  VAL  20          2HG1      VAL  20   2.359   5.876  -0.369
  153   HG13  VAL  20          3HG1      VAL  20   1.514   4.370  -0.015
  154   HG21  VAL  20          3HG2      VAL  20   4.014   3.385  -2.580
  155   HG22  VAL  20          1HG2      VAL  20   3.538   3.175  -0.895
  156   HG23  VAL  20          2HG2      VAL  20   4.329   4.665  -1.409
  157    H    ALA  21           H        ALA  21   2.670   1.320  -2.297
  158    HA   ALA  21           HA       ALA  21   0.812   0.049  -0.465
  159    HB1  ALA  21           1HB      ALA  21   2.722  -1.759  -0.597
  160    HB2  ALA  21           2HB      ALA  21   3.190  -0.831  -2.022
  161    HB3  ALA  21           3HB      ALA  21   1.578  -1.540  -1.922
  162    H    THR  22           H        THR  22   1.328  -0.640   1.630
  163    HA   THR  22           HA       THR  22   3.261   1.061   2.980
  164    HB   THR  22           HB       THR  22   2.125  -0.436   4.959
  165    HG1  THR  22           1HG      THR  22   0.076  -0.041   3.047
  166   HG21  THR  22          3HG2      THR  22   0.514   1.838   3.940
  167   HG22  THR  22          1HG2      THR  22   2.165   2.140   4.480
  168   HG23  THR  22          2HG2      THR  22   0.990   1.433   5.588
  169    H    THR  23           H        THR  23   5.092  -0.086   1.992
  170    HA   THR  23           HA       THR  23   5.863  -2.381   3.648
  171    HB   THR  23           HB       THR  23   5.130  -3.306   1.513
  172    HG1  THR  23           1HG      THR  23   7.961  -3.293   1.622
  173   HG21  THR  23          3HG2      THR  23   6.207  -2.804  -0.573
  174   HG22  THR  23          1HG2      THR  23   7.249  -1.617   0.210
  175   HG23  THR  23          2HG2      THR  23   5.513  -1.328   0.098
  176    H    GLU  24           H        GLU  24   6.553   0.368   3.919
  177    HA   GLU  24           HA       GLU  24   9.108   0.888   2.779
  178    HB2  GLU  24           2HB      GLU  24   7.274   2.210   4.635
  179    HB3  GLU  24           1HB      GLU  24   8.965   2.474   5.032
  180    HG2  GLU  24           2HG      GLU  24   9.398   3.398   2.872
  181    HG3  GLU  24           1HG      GLU  24   7.784   2.962   2.311
  182    HA   PRO  25           HA       PRO  25  10.581  -0.253   7.378
  183    HB2  PRO  25           2HB      PRO  25   8.505  -2.355   7.789
  184    HB3  PRO  25           1HB      PRO  25   9.266  -1.282   8.968
  185    HG2  PRO  25           2HG      PRO  25   6.783  -0.827   8.131
  186    HG3  PRO  25           1HG      PRO  25   7.910   0.514   8.408
  187    HD2  PRO  25           2HD      PRO  25   6.985  -0.686   5.838
  188    HD3  PRO  25           1HD      PRO  25   7.379   1.002   6.222
  189    HA   PRO  26           HA       PRO  26  12.701  -3.640   5.461
  190    HB2  PRO  26           2HB      PRO  26  14.296  -4.426   7.495
  191    HB3  PRO  26           1HB      PRO  26  14.555  -2.912   6.618
  192    HG2  PRO  26           2HG      PRO  26  13.227  -3.368   9.264
  193    HG3  PRO  26           1HG      PRO  26  14.379  -2.103   8.793
  194    HD2  PRO  26           2HD      PRO  26  11.695  -1.687   8.921
  195    HD3  PRO  26           1HD      PRO  26  12.753  -0.824   7.788
  196    H    PHE  27           H        PHE  27  12.102  -5.676   5.069
  197    HA   PHE  27           HA       PHE  27  10.659  -7.138   7.160
  198    HB2  PHE  27           2HB      PHE  27  10.431  -6.969   4.232
  199    HB3  PHE  27           1HB      PHE  27  10.297  -8.602   4.877
  200    HD1  PHE  27           2HD      PHE  27   8.917  -8.190   7.404
  201    HD2  PHE  27           1HD      PHE  27   8.301  -6.328   3.628
  202    HE1  PHE  27           2HE      PHE  27   6.571  -7.758   8.005
  203    HE2  PHE  27           1HE      PHE  27   5.952  -5.893   4.220
  204    HZ   PHE  27           HZ       PHE  27   5.084  -6.608   6.411
  205    H    ASP  28           H        ASP  28  12.751  -7.642   8.167
  206    HA   ASP  28           HA       ASP  28  13.984  -9.988   6.886
  207    HB2  ASP  28           2HB      ASP  28  15.242  -7.527   7.847
  208    HB3  ASP  28           1HB      ASP  28  15.971  -8.982   8.519
  209    HA   PRO  29           HA       PRO  29  12.917 -11.947  10.723
  210    HB2  PRO  29           2HB      PRO  29  14.285 -14.246  10.440
  211    HB3  PRO  29           1HB      PRO  29  12.861 -13.880   9.457
  212    HG2  PRO  29           2HG      PRO  29  15.761 -13.643   8.755
  213    HG3  PRO  29           1HG      PRO  29  14.422 -14.272   7.780
  214    HD2  PRO  29           2HD      PRO  29  15.439 -11.750   7.504
  215    HD3  PRO  29           1HD      PRO  29  13.762 -12.180   7.115
  216    H    ASP  30           H        ASP  30  16.262 -11.504   9.767
  217    HA   ASP  30           HA       ASP  30  17.248 -12.044  12.445
  218    HB2  ASP  30           2HB      ASP  30  19.474 -11.435  11.413
  219    HB3  ASP  30           1HB      ASP  30  18.664 -12.823  10.692
  220    H    SER  31           H        SER  31  16.454  -9.324  10.423
  221    HA   SER  31           HA       SER  31  16.345  -7.089  10.824
  222    HB2  SER  31           2HB      SER  31  16.205  -8.279  13.547
  223    HB3  SER  31           1HB      SER  31  16.550  -6.552  13.446
  224    HG   SER  31           HG       SER  31  14.265  -7.183  13.536
  225    H    TYR  32           H        TYR  32  18.424  -6.980   9.726
  226    HA   TYR  32           HA       TYR  32  20.407  -5.695  11.409
  227    HB2  TYR  32           2HB      TYR  32  21.108  -8.047  11.449
  228    HB3  TYR  32           1HB      TYR  32  21.107  -8.087   9.690
  229    HD1  TYR  32           2HD      TYR  32  22.585  -5.989  12.418
  230    HD2  TYR  32           1HD      TYR  32  23.165  -7.929   8.675
  231    HE1  TYR  32           2HE      TYR  32  24.930  -5.254  12.408
  232    HE2  TYR  32           1HE      TYR  32  25.512  -7.199   8.654
  233    HH   TYR  32           HH       TYR  32  26.725  -4.844  10.758
  Start of MODEL    3
    1    H1   SER   1           1HT      SER   1 -21.301  -5.127  -4.863
    2    H2   SER   1           2HT      SER   1 -21.291  -4.203  -6.308
    3    H3   SER   1           3HT      SER   1 -22.642  -4.134  -5.253
    4    HA   SER   1           HA       SER   1 -21.357  -2.189  -5.004
    5    HB2  SER   1           2HB      SER   1 -20.675  -3.832  -2.593
    6    HB3  SER   1           1HB      SER   1 -21.368  -2.213  -2.682
    7    HG   SER   1           HG       SER   1 -22.676  -4.393  -2.256
    8    H    VAL   2           H        VAL   2 -19.584  -2.298  -6.538
    9    HA   VAL   2           HA       VAL   2 -17.092  -3.482  -5.641
   10    HB   VAL   2           HB       VAL   2 -17.530  -1.754  -8.076
   11   HG11  VAL   2          1HG1      VAL   2 -15.267  -1.909  -7.950
   12   HG12  VAL   2          2HG1      VAL   2 -15.588  -3.436  -8.772
   13   HG13  VAL   2          3HG1      VAL   2 -15.309  -3.415  -7.031
   14   HG21  VAL   2          3HG2      VAL   2 -17.954  -3.721  -9.354
   15   HG22  VAL   2          1HG2      VAL   2 -19.062  -3.735  -7.983
   16   HG23  VAL   2          2HG2      VAL   2 -17.630  -4.763  -7.968
   17    H    GLN   3           H        GLN   3 -15.167  -2.314  -5.273
   18    HA   GLN   3           HA       GLN   3 -15.565   0.171  -3.901
   19    HB2  GLN   3           2HB      GLN   3 -13.007  -1.300  -4.565
   20    HB3  GLN   3           1HB      GLN   3 -13.146   0.054  -3.451
   21    HG2  GLN   3           2HG      GLN   3 -14.657  -1.302  -2.048
   22    HG3  GLN   3           1HG      GLN   3 -14.404  -2.663  -3.140
   23   HE21  GLN   3          1HE2      GLN   3 -12.734  -3.965  -2.779
   24   HE22  GLN   3          2HE2      GLN   3 -11.452  -3.665  -1.660
   25    H    ILE   4           H        ILE   4 -15.529   2.127  -4.771
   26    HA   ILE   4           HA       ILE   4 -14.305   2.474  -7.418
   27    HB   ILE   4           HB       ILE   4 -16.188   4.389  -6.051
   28   HG12  ILE   4          2HG1      ILE   4 -17.698   3.228  -7.984
   29   HG13  ILE   4          1HG1      ILE   4 -16.720   1.854  -7.477
   30   HG21  ILE   4          1HG2      ILE   4 -15.370   5.637  -7.745
   31   HG22  ILE   4          2HG2      ILE   4 -16.551   4.733  -8.692
   32   HG23  ILE   4          3HG2      ILE   4 -14.861   4.231  -8.679
   33   HD11  ILE   4          3HD1      ILE   4 -18.481   1.632  -6.061
   34   HD12  ILE   4          1HD1      ILE   4 -18.788   3.367  -5.989
   35   HD13  ILE   4          2HD1      ILE   4 -17.447   2.671  -5.080
   36    H    LEU   5           H        LEU   5 -12.770   2.431  -4.937
   37    HA   LEU   5           HA       LEU   5 -11.065   4.604  -5.405
   38    HB2  LEU   5           2HB      LEU   5 -12.823   5.950  -4.404
   39    HB3  LEU   5           1HB      LEU   5 -12.864   4.902  -3.000
   40    HG   LEU   5           HG       LEU   5 -10.302   5.633  -2.859
   41   HD11  LEU   5          1HD1      LEU   5 -11.576   8.120  -3.955
   42   HD12  LEU   5          2HD1      LEU   5 -10.642   7.018  -4.967
   43   HD13  LEU   5          3HD1      LEU   5  -9.876   7.819  -3.593
   44   HD21  LEU   5          3HD2      LEU   5 -11.525   6.004  -0.959
   45   HD22  LEU   5          1HD2      LEU   5 -12.798   6.876  -1.816
   46   HD23  LEU   5          2HD2      LEU   5 -11.254   7.665  -1.488
   47    H    ARG   6           H        ARG   6  -9.916   2.499  -5.363
   48    HA   ARG   6           HA       ARG   6  -8.337   2.260  -3.055
   49    HB2  ARG   6           2HB      ARG   6 -10.561   1.173  -2.334
   50    HB3  ARG   6           1HB      ARG   6 -10.111  -0.145  -3.407
   51    HG2  ARG   6           2HG      ARG   6  -7.840   0.120  -1.963
   52    HG3  ARG   6           1HG      ARG   6  -9.052   0.594  -0.771
   53    HD2  ARG   6           2HD      ARG   6  -9.963  -1.720  -2.185
   54    HD3  ARG   6           1HD      ARG   6  -8.331  -2.009  -1.584
   55    HE   ARG   6           HE       ARG   6 -10.720  -1.836  -0.040
   56   HH11  ARG   6          1HH1      ARG   6  -7.290  -1.206   0.039
   57   HH12  ARG   6          2HH1      ARG   6  -7.174  -1.360   1.760
   58   HH21  ARG   6          1HH2      ARG   6 -10.571  -2.036   2.224
   59   HH22  ARG   6          2HH2      ARG   6  -9.036  -1.831   3.001
   60    H    CYS   7           H        CYS   7  -6.463   1.262  -3.553
   61    HA   CYS   7           HA       CYS   7  -6.114   0.311  -6.247
   62    HB2  CYS   7           2HB      CYS   7  -4.256   0.747  -3.919
   63    HB3  CYS   7           1HB      CYS   7  -3.710  -0.054  -5.387
   64    HA   PRO   8           HA       PRO   8  -6.312  -4.062  -5.905
   65    HB2  PRO   8           2HB      PRO   8  -3.413  -4.219  -6.561
   66    HB3  PRO   8           1HB      PRO   8  -4.786  -5.027  -7.325
   67    HG2  PRO   8           2HG      PRO   8  -3.592  -2.948  -8.499
   68    HG3  PRO   8           1HG      PRO   8  -5.349  -3.173  -8.589
   69    HD2  PRO   8           2HD      PRO   8  -3.766  -1.250  -6.956
   70    HD3  PRO   8           1HD      PRO   8  -5.368  -1.058  -7.693
   71    H    ASP   9           H        ASP   9  -5.054  -6.013  -4.941
   72    HA   ASP   9           HA       ASP   9  -4.714  -5.522  -2.179
   73    HB2  ASP   9           2HB      ASP   9  -5.332  -7.716  -3.564
   74    HB3  ASP   9           1HB      ASP   9  -3.607  -8.013  -3.379
   75    H    GLY  10           H        GLY  10  -3.022  -4.632  -1.214
   76    HA2  GLY  10           2HA      GLY  10  -0.679  -4.940  -0.594
   77    HA3  GLY  10           1HA      GLY  10  -0.336  -5.221  -2.293
   78    H    MET  11           H        MET  11  -2.270  -2.932  -2.914
   79    HA   MET  11           HA       MET  11  -0.486  -0.719  -2.146
   80    HB2  MET  11           2HB      MET  11  -1.066   0.236  -4.459
   81    HB3  MET  11           1HB      MET  11   0.100  -1.077  -4.386
   82    HG2  MET  11           2HG      MET  11  -2.706  -1.887  -4.731
   83    HG3  MET  11           1HG      MET  11  -1.989  -0.999  -6.076
   84    HE1  MET  11           3HE      MET  11   0.611  -2.681  -7.506
   85    HE2  MET  11           1HE      MET  11   1.407  -2.878  -5.945
   86    HE3  MET  11           2HE      MET  11   0.565  -1.375  -6.323
   87    H    GLN  12           H        GLN  12  -1.482   1.424  -2.291
   88    HA   GLN  12           HA       GLN  12  -4.409   1.375  -2.036
   89    HB2  GLN  12           2HB      GLN  12  -2.397   2.487  -0.107
   90    HB3  GLN  12           1HB      GLN  12  -4.005   3.188  -0.212
   91    HG2  GLN  12           2HG      GLN  12  -3.524   0.264   0.271
   92    HG3  GLN  12           1HG      GLN  12  -3.667   1.448   1.569
   93   HE21  GLN  12          1HE2      GLN  12  -5.583   1.305   2.475
   94   HE22  GLN  12          2HE2      GLN  12  -7.088   1.093   1.654
   95    H    MET  13           H        MET  13  -5.482   3.219  -2.726
   96    HA   MET  13           HA       MET  13  -4.179   4.748  -4.730
   97    HB2  MET  13           2HB      MET  13  -6.752   4.106  -4.268
   98    HB3  MET  13           1HB      MET  13  -6.741   5.738  -3.614
   99    HG2  MET  13           2HG      MET  13  -5.738   6.483  -5.799
  100    HG3  MET  13           1HG      MET  13  -6.089   4.868  -6.413
  101    HE1  MET  13           3HE      MET  13  -8.210   4.660  -7.943
  102    HE2  MET  13           1HE      MET  13  -7.296   6.116  -8.333
  103    HE3  MET  13           2HE      MET  13  -9.058   6.176  -8.251
  104    H    LEU  14           H        LEU  14  -3.069   6.578  -4.574
  105    HA   LEU  14           HA       LEU  14  -2.904   7.918  -1.996
  106    HB2  LEU  14           2HB      LEU  14  -1.357   8.249  -4.566
  107    HB3  LEU  14           1HB      LEU  14  -1.090   9.235  -3.141
  108    HG   LEU  14           HG       LEU  14  -0.656   6.258  -3.374
  109   HD11  LEU  14          1HD1      LEU  14   1.228   7.126  -4.308
  110   HD12  LEU  14          2HD1      LEU  14   1.691   7.206  -2.608
  111   HD13  LEU  14          3HD1      LEU  14   1.098   8.650  -3.429
  112   HD21  LEU  14          3HD2      LEU  14   0.437   6.894  -1.015
  113   HD22  LEU  14          1HD2      LEU  14  -1.223   6.320  -1.183
  114   HD23  LEU  14          2HD2      LEU  14  -0.899   8.046  -1.034
  115    H    ARG  15           H        ARG  15  -2.696  10.395  -2.121
  116    HA   ARG  15           HA       ARG  15  -5.168  11.477  -2.826
  117    HB2  ARG  15           2HB      ARG  15  -3.688  12.476  -1.143
  118    HB3  ARG  15           1HB      ARG  15  -2.543  12.916  -2.404
  119    HG2  ARG  15           2HG      ARG  15  -4.779  14.096  -3.347
  120    HG3  ARG  15           1HG      ARG  15  -5.067  14.193  -1.608
  121    HD2  ARG  15           2HD      ARG  15  -2.708  15.125  -1.428
  122    HD3  ARG  15           1HD      ARG  15  -2.755  15.298  -3.181
  123    HE   ARG  15           HE       ARG  15  -4.160  17.094  -2.938
  124   HH11  ARG  15          1HH1      ARG  15  -3.980  15.370   0.091
  125   HH12  ARG  15          2HH1      ARG  15  -4.833  16.587   0.978
  126   HH21  ARG  15          1HH2      ARG  15  -5.284  18.695  -1.772
  127   HH22  ARG  15          2HH2      ARG  15  -5.575  18.474  -0.079
  128    H    SER  16           H        SER  16  -2.203  11.185  -4.645
  129    HA   SER  16           HA       SER  16  -3.081  12.957  -6.751
  130    HB2  SER  16           2HB      SER  16  -0.642  11.348  -6.181
  131    HB3  SER  16           1HB      SER  16  -0.980  11.734  -7.868
  132    HG   SER  16           HG       SER  16   0.308  13.278  -6.471
  133    H    GLY  17           H        GLY  17  -3.119   9.538  -6.063
  134    HA2  GLY  17           2HA      GLY  17  -4.997   8.378  -7.248
  135    HA3  GLY  17           1HA      GLY  17  -4.329   9.066  -8.720
  136    H    GLN  18           H        GLN  18  -1.554   8.593  -7.705
  137    HA   GLN  18           HA       GLN  18  -1.107   6.110  -8.937
  138    HB2  GLN  18           2HB      GLN  18   0.552   7.994  -7.324
  139    HB3  GLN  18           1HB      GLN  18   1.174   6.376  -7.617
  140    HG2  GLN  18           2HG      GLN  18   0.152   7.937  -9.928
  141    HG3  GLN  18           1HG      GLN  18   1.713   8.376  -9.233
  142   HE21  GLN  18          1HE2      GLN  18   3.432   7.312  -9.917
  143   HE22  GLN  18          2HE2      GLN  18   3.420   5.820 -10.788
  144    H    CYS  19           H        CYS  19  -0.550   4.091  -8.107
  145    HA   CYS  19           HA       CYS  19  -1.737   3.493  -5.531
  146    HB2  CYS  19           2HB      CYS  19  -0.717   1.825  -7.817
  147    HB3  CYS  19           1HB      CYS  19  -1.117   1.100  -6.268
  148    H    VAL  20           H        VAL  20  -0.571   3.525  -3.734
  149    HA   VAL  20           HA       VAL  20   2.335   3.183  -3.906
  150    HB   VAL  20           HB       VAL  20   1.532   5.209  -2.774
  151   HG11  VAL  20          1HG1      VAL  20  -0.564   4.505  -1.888
  152   HG12  VAL  20          2HG1      VAL  20   0.459   4.950  -0.522
  153   HG13  VAL  20          3HG1      VAL  20   0.200   3.250  -0.913
  154   HG21  VAL  20          3HG2      VAL  20   3.031   5.133  -0.985
  155   HG22  VAL  20          1HG2      VAL  20   3.635   3.901  -2.092
  156   HG23  VAL  20          2HG2      VAL  20   2.711   3.430  -0.666
  157    H    ALA  21           H        ALA  21   3.413   1.568  -2.879
  158    HA   ALA  21           HA       ALA  21   1.985  -0.788  -2.195
  159    HB1  ALA  21           1HB      ALA  21   4.499  -0.325  -3.022
  160    HB2  ALA  21           2HB      ALA  21   3.996  -1.819  -2.230
  161    HB3  ALA  21           3HB      ALA  21   4.786  -0.547  -1.296
  162    H    THR  22           H        THR  22   0.681  -0.659  -0.443
  163    HA   THR  22           HA       THR  22   1.648   0.556   2.014
  164    HB   THR  22           HB       THR  22  -0.755  -0.338   2.732
  165    HG1  THR  22           1HG      THR  22  -1.273  -1.431   0.884
  166   HG21  THR  22          3HG2      THR  22  -0.621   1.975   0.829
  167   HG22  THR  22          1HG2      THR  22  -0.008   2.058   2.481
  168   HG23  THR  22          2HG2      THR  22  -1.717   1.733   2.190
  169    H    THR  23           H        THR  23   3.301  -1.416   1.692
  170    HA   THR  23           HA       THR  23   2.676  -3.223   3.837
  171    HB   THR  23           HB       THR  23   3.273  -4.450   1.144
  172    HG1  THR  23           1HG      THR  23   0.777  -4.258   2.478
  173   HG21  THR  23          3HG2      THR  23   1.892  -6.127   3.012
  174   HG22  THR  23          1HG2      THR  23   3.390  -5.522   3.716
  175   HG23  THR  23          2HG2      THR  23   3.425  -6.393   2.182
  176    H    GLU  24           H        GLU  24   4.656  -1.185   3.188
  177    HA   GLU  24           HA       GLU  24   7.133  -2.408   2.547
  178    HB2  GLU  24           2HB      GLU  24   6.833   0.122   4.147
  179    HB3  GLU  24           1HB      GLU  24   8.114  -0.322   3.029
  180    HG2  GLU  24           2HG      GLU  24   6.344  -0.257   1.212
  181    HG3  GLU  24           1HG      GLU  24   5.316   0.542   2.399
  182    HA   PRO  25           HA       PRO  25   7.546  -4.270   6.645
  183    HB2  PRO  25           2HB      PRO  25   9.688  -5.805   6.069
  184    HB3  PRO  25           1HB      PRO  25   8.053  -6.231   5.549
  185    HG2  PRO  25           2HG      PRO  25  10.254  -4.927   3.994
  186    HG3  PRO  25           1HG      PRO  25   9.149  -6.222   3.496
  187    HD2  PRO  25           2HD      PRO  25   8.794  -3.619   2.795
  188    HD3  PRO  25           1HD      PRO  25   7.445  -4.752   3.019
  189    HA   PRO  26           HA       PRO  26  10.773  -1.274   7.768
  190    HB2  PRO  26           2HB      PRO  26   9.984  -0.892  10.304
  191    HB3  PRO  26           1HB      PRO  26   9.112  -0.171   8.944
  192    HG2  PRO  26           2HG      PRO  26   8.455  -2.624  10.529
  193    HG3  PRO  26           1HG      PRO  26   7.378  -1.332   9.969
  194    HD2  PRO  26           2HD      PRO  26   7.647  -3.745   8.702
  195    HD3  PRO  26           1HD      PRO  26   7.167  -2.247   7.879
  196    H    PHE  27           H        PHE  27  12.505  -1.271   9.359
  197    HA   PHE  27           HA       PHE  27  14.212  -2.257  10.490
  198    HB2  PHE  27           2HB      PHE  27  12.530  -2.553  12.234
  199    HB3  PHE  27           1HB      PHE  27  11.985  -4.048  11.480
  200    HD1  PHE  27           1HD      PHE  27  15.210  -2.567  12.649
  201    HD2  PHE  27           2HD      PHE  27  12.671  -5.979  12.493
  202    HE1  PHE  27           1HE      PHE  27  16.834  -3.831  13.998
  203    HE2  PHE  27           2HE      PHE  27  14.291  -7.249  13.841
  204    HZ   PHE  27           HZ       PHE  27  16.375  -6.176  14.594
  205    H    ASP  28           H        ASP  28  15.604  -4.150  10.555
  206    HA   ASP  28           HA       ASP  28  15.372  -5.693   8.113
  207    HB2  ASP  28           2HB      ASP  28  17.523  -4.801   9.838
  208    HB3  ASP  28           1HB      ASP  28  17.669  -6.521   9.491
  209    HA   PRO  29           HA       PRO  29  14.249  -9.536   9.958
  210    HB2  PRO  29           2HB      PRO  29  15.784 -11.373   8.733
  211    HB3  PRO  29           1HB      PRO  29  14.551 -10.455   7.862
  212    HG2  PRO  29           2HG      PRO  29  17.511 -10.047   7.948
  213    HG3  PRO  29           1HG      PRO  29  16.403  -9.929   6.570
  214    HD2  PRO  29           2HD      PRO  29  17.354  -7.768   7.973
  215    HD3  PRO  29           1HD      PRO  29  15.830  -7.769   7.066
  216    H    ASP  30           H        ASP  30  15.471 -11.802  10.660
  217    HA   ASP  30           HA       ASP  30  16.668 -11.228  13.118
  218    HB2  ASP  30           2HB      ASP  30  17.170 -13.631  13.240
  219    HB3  ASP  30           1HB      ASP  30  15.533 -13.351  12.655
  220    H    SER  31           H        SER  31  18.057 -11.761   9.957
  221    HA   SER  31           HA       SER  31  20.739 -12.135  10.841
  222    HB2  SER  31           2HB      SER  31  19.497 -12.549   8.480
  223    HB3  SER  31           1HB      SER  31  20.277 -11.004   8.140
  224    HG   SER  31           HG       SER  31  22.236 -12.088   9.010
  225    H    TYR  32           H        TYR  32  22.285 -10.687  11.310
  226    HA   TYR  32           HA       TYR  32  21.594  -7.974  11.763
  227    HB2  TYR  32           2HB      TYR  32  24.072  -9.614  12.005
  228    HB3  TYR  32           1HB      TYR  32  24.243  -7.861  11.983
  229    HD1  TYR  32           2HD      TYR  32  21.869  -6.990  13.472
  230    HD2  TYR  32           1HD      TYR  32  24.499 -10.254  14.199
  231    HE1  TYR  32           2HE      TYR  32  21.305  -6.903  15.863
  232    HE2  TYR  32           1HE      TYR  32  23.943 -10.177  16.593
  233    HH   TYR  32           HH       TYR  32  21.859  -9.313  17.973
  Start of MODEL    4
    1    H1   SER   1           1HT      SER   1 -22.084  -4.067 -11.518
    2    H2   SER   1           2HT      SER   1 -21.880  -5.713 -11.966
    3    H3   SER   1           3HT      SER   1 -22.108  -4.514 -13.173
    4    HA   SER   1           HA       SER   1 -19.821  -5.276 -12.957
    5    HB2  SER   1           2HB      SER   1 -20.805  -2.489 -12.707
    6    HB3  SER   1           1HB      SER   1 -19.075  -2.725 -12.463
    7    HG   SER   1           HG       SER   1 -20.627  -3.373 -14.738
    8    H    VAL   2           H        VAL   2 -17.822  -4.099 -11.681
    9    HA   VAL   2           HA       VAL   2 -18.243  -4.153  -8.811
   10    HB   VAL   2           HB       VAL   2 -16.266  -6.070 -10.045
   11   HG11  VAL   2          1HG1      VAL   2 -15.435  -5.635  -7.951
   12   HG12  VAL   2          2HG1      VAL   2 -16.523  -6.977  -7.595
   13   HG13  VAL   2          3HG1      VAL   2 -17.029  -5.320  -7.264
   14   HG21  VAL   2          3HG2      VAL   2 -17.821  -7.846  -9.224
   15   HG22  VAL   2          1HG2      VAL   2 -18.448  -6.898 -10.575
   16   HG23  VAL   2          2HG2      VAL   2 -19.021  -6.585  -8.936
   17    H    GLN   3           H        GLN   3 -16.412  -3.389  -7.605
   18    HA   GLN   3           HA       GLN   3 -14.923  -1.392  -9.045
   19    HB2  GLN   3           2HB      GLN   3 -15.905  -1.452  -6.549
   20    HB3  GLN   3           1HB      GLN   3 -14.267  -1.997  -6.213
   21    HG2  GLN   3           2HG      GLN   3 -13.344   0.000  -7.157
   22    HG3  GLN   3           1HG      GLN   3 -14.932   0.523  -7.715
   23   HE21  GLN   3          1HE2      GLN   3 -12.684   0.610  -5.206
   24   HE22  GLN   3          2HE2      GLN   3 -13.665   1.389  -4.017
   25    H    ILE   4           H        ILE   4 -13.070  -1.773 -10.049
   26    HA   ILE   4           HA       ILE   4 -11.380  -3.986  -9.111
   27    HB   ILE   4           HB       ILE   4 -10.291  -3.571 -11.450
   28   HG12  ILE   4          2HG1      ILE   4 -11.900  -2.835 -13.152
   29   HG13  ILE   4          1HG1      ILE   4 -13.081  -2.490 -11.892
   30   HG21  ILE   4          1HG2      ILE   4 -12.377  -4.984 -12.382
   31   HG22  ILE   4          2HG2      ILE   4 -12.666  -5.113 -10.647
   32   HG23  ILE   4          3HG2      ILE   4 -11.133  -5.657 -11.329
   33   HD11  ILE   4          3HD1      ILE   4 -12.062  -0.566 -11.276
   34   HD12  ILE   4          1HD1      ILE   4 -11.537  -0.621 -12.959
   35   HD13  ILE   4          2HD1      ILE   4 -10.450  -1.159 -11.679
   36    H    LEU   5           H        LEU   5 -11.410  -1.308  -7.942
   37    HA   LEU   5           HA       LEU   5  -8.564  -0.797  -8.097
   38    HB2  LEU   5           2HB      LEU   5 -10.175   0.688  -9.735
   39    HB3  LEU   5           1HB      LEU   5 -10.100   1.697  -8.303
   40    HG   LEU   5           HG       LEU   5  -7.523   0.650  -9.337
   41   HD11  LEU   5          1HD1      LEU   5  -8.566   3.107 -10.632
   42   HD12  LEU   5          2HD1      LEU   5  -9.114   1.550 -11.254
   43   HD13  LEU   5          3HD1      LEU   5  -7.391   1.928 -11.214
   44   HD21  LEU   5          3HD2      LEU   5  -8.056   2.246  -7.323
   45   HD22  LEU   5          1HD2      LEU   5  -8.108   3.473  -8.588
   46   HD23  LEU   5          2HD2      LEU   5  -6.644   2.520  -8.345
   47    H    ARG   6           H        ARG   6  -9.965  -1.879  -6.018
   48    HA   ARG   6           HA       ARG   6 -10.660   0.193  -4.122
   49    HB2  ARG   6           2HB      ARG   6 -11.578  -2.302  -4.410
   50    HB3  ARG   6           1HB      ARG   6 -10.296  -2.627  -3.253
   51    HG2  ARG   6           2HG      ARG   6 -11.314  -1.443  -1.577
   52    HG3  ARG   6           1HG      ARG   6 -12.198  -0.407  -2.700
   53    HD2  ARG   6           2HD      ARG   6 -13.917  -1.857  -2.890
   54    HD3  ARG   6           1HD      ARG   6 -12.865  -3.270  -2.827
   55    HE   ARG   6           HE       ARG   6 -13.195  -3.379  -0.561
   56   HH11  ARG   6          1HH1      ARG   6 -14.295  -0.278  -1.724
   57   HH12  ARG   6          2HH1      ARG   6 -15.027   0.167  -0.219
   58   HH21  ARG   6          1HH2      ARG   6 -14.158  -2.795   1.418
   59   HH22  ARG   6          2HH2      ARG   6 -14.949  -1.262   1.565
   60    H    CYS   7           H        CYS   7  -9.654   0.309  -1.985
   61    HA   CYS   7           HA       CYS   7  -6.839  -0.527  -1.953
   62    HB2  CYS   7           2HB      CYS   7  -7.935   2.240  -1.508
   63    HB3  CYS   7           1HB      CYS   7  -6.392   1.746  -0.820
   64    HA   PRO   8           HA       PRO   8  -9.304  -1.679   1.914
   65    HB2  PRO   8           2HB      PRO   8  -7.510  -4.026   1.553
   66    HB3  PRO   8           1HB      PRO   8  -9.219  -3.973   1.997
   67    HG2  PRO   8           2HG      PRO   8  -8.474  -4.705  -0.453
   68    HG3  PRO   8           1HG      PRO   8  -9.917  -3.705  -0.198
   69    HD2  PRO   8           2HD      PRO   8  -7.209  -2.913  -1.179
   70    HD3  PRO   8           1HD      PRO   8  -8.807  -2.322  -1.675
   71    H    ASP   9           H        ASP   9  -8.021  -2.928   3.876
   72    HA   ASP   9           HA       ASP   9  -6.285  -1.016   4.938
   73    HB2  ASP   9           2HB      ASP   9  -7.115  -3.771   5.685
   74    HB3  ASP   9           1HB      ASP   9  -5.653  -3.145   6.443
   75    H    GLY  10           H        GLY  10  -4.403  -0.497   4.009
   76    HA2  GLY  10           2HA      GLY  10  -2.042  -1.578   4.201
   77    HA3  GLY  10           1HA      GLY  10  -2.691  -2.640   2.960
   78    H    MET  11           H        MET  11  -4.248  -0.413   1.766
   79    HA   MET  11           HA       MET  11  -2.011   0.855   0.342
   80    HB2  MET  11           2HB      MET  11  -4.867   0.419  -0.554
   81    HB3  MET  11           1HB      MET  11  -3.602   1.174  -1.514
   82    HG2  MET  11           2HG      MET  11  -2.346  -1.078  -1.067
   83    HG3  MET  11           1HG      MET  11  -3.976  -1.683  -0.780
   84    HE1  MET  11           3HE      MET  11  -4.516  -3.111  -2.174
   85    HE2  MET  11           1HE      MET  11  -4.098  -3.270  -3.880
   86    HE3  MET  11           2HE      MET  11  -5.576  -2.430  -3.408
   87    H    GLN  12           H        GLN  12  -1.612   2.852   1.023
   88    HA   GLN  12           HA       GLN  12  -3.687   4.468   2.230
   89    HB2  GLN  12           2HB      GLN  12  -1.318   4.366   3.080
   90    HB3  GLN  12           1HB      GLN  12  -0.830   5.248   1.639
   91    HG2  GLN  12           2HG      GLN  12  -2.840   6.817   2.595
   92    HG3  GLN  12           1HG      GLN  12  -2.126   6.194   4.082
   93   HE21  GLN  12          1HE2      GLN  12  -1.532   8.019   1.162
   94   HE22  GLN  12          2HE2      GLN  12  -0.099   8.810   1.714
   95    H    MET  13           H        MET  13  -4.854   5.977   1.237
   96    HA   MET  13           HA       MET  13  -4.533   6.422  -1.580
   97    HB2  MET  13           2HB      MET  13  -6.489   7.259   0.510
   98    HB3  MET  13           1HB      MET  13  -6.422   8.187  -0.983
   99    HG2  MET  13           2HG      MET  13  -7.310   6.524  -2.222
  100    HG3  MET  13           1HG      MET  13  -6.552   5.253  -1.264
  101    HE1  MET  13           3HE      MET  13  -9.223   7.502  -2.031
  102    HE2  MET  13           1HE      MET  13  -9.810   7.990  -0.442
  103    HE3  MET  13           2HE      MET  13 -10.653   6.734  -1.346
  104    H    LEU  14           H        LEU  14  -3.730   8.172  -2.623
  105    HA   LEU  14           HA       LEU  14  -2.299  10.128  -0.985
  106    HB2  LEU  14           2HB      LEU  14  -2.122   9.427  -3.911
  107    HB3  LEU  14           1HB      LEU  14  -1.224  10.741  -3.175
  108    HG   LEU  14           HG       LEU  14  -0.950   7.806  -2.527
  109   HD11  LEU  14          1HD1      LEU  14   0.286   7.965  -4.416
  110   HD12  LEU  14          2HD1      LEU  14   1.486   8.590  -3.284
  111   HD13  LEU  14          3HD1      LEU  14   0.520   9.706  -4.250
  112   HD21  LEU  14          3HD2      LEU  14  -0.389   8.639  -0.500
  113   HD22  LEU  14          1HD2      LEU  14  -0.050  10.250  -1.133
  114   HD23  LEU  14          2HD2      LEU  14   1.141   8.962  -1.314
  115    H    ARG  15           H        ARG  15  -2.268  12.402  -1.745
  116    HA   ARG  15           HA       ARG  15  -4.843  13.488  -1.819
  117    HB2  ARG  15           2HB      ARG  15  -3.672  15.628  -2.422
  118    HB3  ARG  15           1HB      ARG  15  -3.050  14.824  -0.987
  119    HG2  ARG  15           2HG      ARG  15  -1.483  13.773  -2.970
  120    HG3  ARG  15           1HG      ARG  15  -1.735  15.431  -3.517
  121    HD2  ARG  15           2HD      ARG  15  -0.907  14.796  -0.702
  122    HD3  ARG  15           1HD      ARG  15   0.273  14.971  -1.999
  123    HE   ARG  15           HE       ARG  15  -1.257  17.229  -2.148
  124   HH11  ARG  15          1HH1      ARG  15   0.643  15.699   0.347
  125   HH12  ARG  15          2HH1      ARG  15   1.038  17.191   1.134
  126   HH21  ARG  15          1HH2      ARG  15  -0.739  19.192  -1.115
  127   HH22  ARG  15          2HH2      ARG  15   0.254  19.173   0.306
  128    H    SER  16           H        SER  16  -2.672  12.545  -4.383
  129    HA   SER  16           HA       SER  16  -4.119  13.888  -6.465
  130    HB2  SER  16           2HB      SER  16  -1.804  12.018  -6.322
  131    HB3  SER  16           1HB      SER  16  -2.683  12.108  -7.848
  132    HG   SER  16           HG       SER  16  -1.295  13.720  -8.080
  133    H    GLY  17           H        GLY  17  -4.190  10.729  -4.971
  134    HA2  GLY  17           2HA      GLY  17  -6.534   9.764  -5.174
  135    HA3  GLY  17           1HA      GLY  17  -6.254   9.887  -6.905
  136    H    GLN  18           H        GLN  18  -3.392   9.131  -6.536
  137    HA   GLN  18           HA       GLN  18  -3.625   6.386  -7.021
  138    HB2  GLN  18           2HB      GLN  18  -1.650   8.210  -7.345
  139    HB3  GLN  18           1HB      GLN  18  -1.039   7.334  -5.947
  140    HG2  GLN  18           2HG      GLN  18  -0.426   5.603  -7.189
  141    HG3  GLN  18           1HG      GLN  18  -1.995   5.529  -7.990
  142   HE21  GLN  18          1HE2      GLN  18   1.256   6.137  -8.383
  143   HE22  GLN  18          2HE2      GLN  18   1.200   6.920  -9.922
  144    H    CYS  19           H        CYS  19  -2.293   4.728  -5.718
  145    HA   CYS  19           HA       CYS  19  -2.815   5.082  -2.843
  146    HB2  CYS  19           2HB      CYS  19  -3.835   3.045  -4.681
  147    HB3  CYS  19           1HB      CYS  19  -3.066   2.365  -3.251
  148    H    VAL  20           H        VAL  20  -1.041   4.870  -1.661
  149    HA   VAL  20           HA       VAL  20   1.285   3.513  -2.821
  150    HB   VAL  20           HB       VAL  20   1.218   5.249  -0.354
  151   HG11  VAL  20          1HG1      VAL  20   3.668   5.477  -0.939
  152   HG12  VAL  20          2HG1      VAL  20   3.427   4.147  -2.072
  153   HG13  VAL  20          3HG1      VAL  20   3.157   3.897  -0.348
  154   HG21  VAL  20          3HG2      VAL  20   1.848   7.112  -1.658
  155   HG22  VAL  20          1HG2      VAL  20   0.471   6.393  -2.490
  156   HG23  VAL  20          2HG2      VAL  20   2.104   6.119  -3.092
  157    H    ALA  21           H        ALA  21   1.702   1.504  -2.211
  158    HA   ALA  21           HA       ALA  21   0.332   0.156  -0.159
  159    HB1  ALA  21           1HB      ALA  21   2.037  -1.636  -0.520
  160    HB2  ALA  21           2HB      ALA  21   2.863  -0.546  -1.632
  161    HB3  ALA  21           3HB      ALA  21   1.225  -1.092  -1.988
  162    H    THR  22           H        THR  22   0.864  -0.372   1.919
  163    HA   THR  22           HA       THR  22   2.859   1.302   3.190
  164    HB   THR  22           HB       THR  22   0.630   1.040   4.203
  165    HG1  THR  22           1HG      THR  22   2.673  -0.124   5.787
  166   HG21  THR  22          3HG2      THR  22   0.621  -1.522   3.537
  167   HG22  THR  22          1HG2      THR  22  -0.299  -0.900   4.908
  168   HG23  THR  22          2HG2      THR  22   1.259  -1.683   5.173
  169    H    THR  23           H        THR  23   4.340  -0.209   1.687
  170    HA   THR  23           HA       THR  23   5.341  -2.369   3.424
  171    HB   THR  23           HB       THR  23   6.421  -2.947   0.991
  172    HG1  THR  23           1HG      THR  23   3.800  -2.000   0.479
  173   HG21  THR  23          3HG2      THR  23   4.244  -4.412   0.723
  174   HG22  THR  23          1HG2      THR  23   3.995  -3.904   2.394
  175   HG23  THR  23          2HG2      THR  23   5.467  -4.768   1.942
  176    H    GLU  24           H        GLU  24   6.024   0.451   3.562
  177    HA   GLU  24           HA       GLU  24   8.492   0.983   2.317
  178    HB2  GLU  24           2HB      GLU  24   7.727   2.162   4.968
  179    HB3  GLU  24           1HB      GLU  24   8.599   2.904   3.639
  180    HG2  GLU  24           2HG      GLU  24   6.706   3.858   3.020
  181    HG3  GLU  24           1HG      GLU  24   6.112   2.257   2.580
  182    HA   PRO  25           HA       PRO  25  10.236  -0.430   6.788
  183    HB2  PRO  25           2HB      PRO  25   8.384  -2.774   6.879
  184    HB3  PRO  25           1HB      PRO  25   9.094  -1.848   8.208
  185    HG2  PRO  25           2HG      PRO  25   6.558  -1.473   7.511
  186    HG3  PRO  25           1HG      PRO  25   7.583  -0.104   7.978
  187    HD2  PRO  25           2HD      PRO  25   6.642  -0.933   5.278
  188    HD3  PRO  25           1HD      PRO  25   6.960   0.691   5.915
  189    HA   PRO  26           HA       PRO  26  12.339  -2.948   3.588
  190    HB2  PRO  26           2HB      PRO  26  14.584  -2.441   5.462
  191    HB3  PRO  26           1HB      PRO  26  14.506  -2.215   3.712
  192    HG2  PRO  26           2HG      PRO  26  14.453  -0.122   5.363
  193    HG3  PRO  26           1HG      PRO  26  13.465  -0.152   3.889
  194    HD2  PRO  26           2HD      PRO  26  12.650  -0.605   6.731
  195    HD3  PRO  26           1HD      PRO  26  11.791   0.250   5.433
  196    H    PHE  27           H        PHE  27  14.461  -4.530   4.391
  197    HA   PHE  27           HA       PHE  27  13.056  -6.613   5.845
  198    HB2  PHE  27           2HB      PHE  27  14.699  -6.718   3.695
  199    HB3  PHE  27           1HB      PHE  27  15.847  -7.071   4.982
  200    HD1  PHE  27           1HD      PHE  27  12.550  -8.120   3.630
  201    HD2  PHE  27           2HD      PHE  27  16.024  -9.221   5.827
  202    HE1  PHE  27           1HE      PHE  27  11.783 -10.457   3.661
  203    HE2  PHE  27           2HE      PHE  27  15.262 -11.561   5.863
  204    HZ   PHE  27           HZ       PHE  27  13.140 -12.182   4.779
  205    H    ASP  28           H        ASP  28  13.183  -6.710   7.982
  206    HA   ASP  28           HA       ASP  28  14.990  -5.265   9.558
  207    HB2  ASP  28           2HB      ASP  28  12.716  -6.792  10.016
  208    HB3  ASP  28           1HB      ASP  28  13.982  -7.665  10.875
  209    HA   PRO  29           HA       PRO  29  17.235  -9.641  10.195
  210    HB2  PRO  29           2HB      PRO  29  16.693 -10.612   7.428
  211    HB3  PRO  29           1HB      PRO  29  16.839 -11.527   8.932
  212    HG2  PRO  29           2HG      PRO  29  14.451 -11.078   7.848
  213    HG3  PRO  29           1HG      PRO  29  14.678 -11.021   9.607
  214    HD2  PRO  29           2HD      PRO  29  14.349  -8.784   7.660
  215    HD3  PRO  29           1HD      PRO  29  13.781  -8.917   9.337
  216    H    ASP  30           H        ASP  30  18.909  -8.091  10.147
  217    HA   ASP  30           HA       ASP  30  20.072  -7.353   7.592
  218    HB2  ASP  30           2HB      ASP  30  21.614  -5.986   8.932
  219    HB3  ASP  30           1HB      ASP  30  19.938  -5.670   9.368
  220    H    SER  31           H        SER  31  20.730  -9.485  10.289
  221    HA   SER  31           HA       SER  31  22.468 -11.117   8.769
  222    HB2  SER  31           2HB      SER  31  23.713  -9.100  10.608
  223    HB3  SER  31           1HB      SER  31  24.472 -10.679  10.402
  224    HG   SER  31           HG       SER  31  25.347  -9.393   8.854
  225    H    TYR  32           H        TYR  32  20.164 -11.398  10.431
  226    HA   TYR  32           HA       TYR  32  21.099 -13.547  12.116
  227    HB2  TYR  32           2HB      TYR  32  20.961 -11.165  13.374
  228    HB3  TYR  32           1HB      TYR  32  19.297 -11.701  13.574
  229    HD1  TYR  32           2HD      TYR  32  22.820 -12.750  14.143
  230    HD2  TYR  32           1HD      TYR  32  18.741 -13.228  15.260
  231    HE1  TYR  32           2HE      TYR  32  23.509 -14.153  16.041
  232    HE2  TYR  32           1HE      TYR  32  19.420 -14.631  17.160
  233    HH   TYR  32           HH       TYR  32  21.659 -14.825  18.602
  Start of MODEL    5
    1    H1   SER   1           1HT      SER   1 -18.487   3.010   0.191
    2    H2   SER   1           2HT      SER   1 -20.121   2.600  -0.141
    3    H3   SER   1           3HT      SER   1 -19.684   4.236   0.145
    4    HA   SER   1           HA       SER   1 -20.080   3.588  -2.202
    5    HB2  SER   1           2HB      SER   1 -18.067   4.906  -2.933
    6    HB3  SER   1           1HB      SER   1 -18.964   5.647  -1.608
    7    HG   SER   1           HG       SER   1 -16.617   4.071  -1.343
    8    H    VAL   2           H        VAL   2 -19.740   2.082  -3.699
    9    HA   VAL   2           HA       VAL   2 -17.817  -0.015  -3.227
   10    HB   VAL   2           HB       VAL   2 -20.046  -0.551  -4.104
   11   HG11  VAL   2          1HG1      VAL   2 -19.149   0.981  -6.541
   12   HG12  VAL   2          2HG1      VAL   2 -20.461   1.416  -5.445
   13   HG13  VAL   2          3HG1      VAL   2 -20.594  -0.026  -6.452
   14   HG21  VAL   2          3HG2      VAL   2 -19.366  -2.189  -5.649
   15   HG22  VAL   2          1HG2      VAL   2 -17.962  -1.919  -4.616
   16   HG23  VAL   2          2HG2      VAL   2 -18.022  -1.204  -6.229
   17    H    GLN   3           H        GLN   3 -16.276  -0.730  -4.851
   18    HA   GLN   3           HA       GLN   3 -15.451   1.201  -6.852
   19    HB2  GLN   3           2HB      GLN   3 -14.156   1.005  -4.279
   20    HB3  GLN   3           1HB      GLN   3 -13.037   0.561  -5.561
   21    HG2  GLN   3           2HG      GLN   3 -14.673   3.054  -5.758
   22    HG3  GLN   3           1HG      GLN   3 -13.182   3.019  -4.816
   23   HE21  GLN   3          1HE2      GLN   3 -14.117   4.265  -7.458
   24   HE22  GLN   3          2HE2      GLN   3 -12.824   3.906  -8.547
   25    H    ILE   4           H        ILE   4 -13.481   0.343  -8.069
   26    HA   ILE   4           HA       ILE   4 -13.416  -2.594  -8.085
   27    HB   ILE   4           HB       ILE   4 -13.574  -0.996 -10.635
   28   HG12  ILE   4          2HG1      ILE   4 -15.835  -2.552  -9.370
   29   HG13  ILE   4          1HG1      ILE   4 -15.663  -0.807  -9.218
   30   HG21  ILE   4          1HG2      ILE   4 -12.731  -3.559 -10.177
   31   HG22  ILE   4          2HG2      ILE   4 -13.341  -2.943 -11.712
   32   HG23  ILE   4          3HG2      ILE   4 -14.424  -3.789 -10.609
   33   HD11  ILE   4          3HD1      ILE   4 -16.297  -0.423 -11.357
   34   HD12  ILE   4          1HD1      ILE   4 -17.159  -1.937 -11.086
   35   HD13  ILE   4          2HD1      ILE   4 -15.621  -1.940 -11.950
   36    H    LEU   5           H        LEU   5 -11.537  -0.603  -7.097
   37    HA   LEU   5           HA       LEU   5  -9.347  -0.705  -9.020
   38    HB2  LEU   5           2HB      LEU   5  -9.909   0.828  -6.532
   39    HB3  LEU   5           1HB      LEU   5  -8.231   0.554  -6.964
   40    HG   LEU   5           HG       LEU   5 -10.289   1.929  -8.693
   41   HD11  LEU   5          1HD1      LEU   5  -9.139   2.996  -6.525
   42   HD12  LEU   5          2HD1      LEU   5  -9.513   3.925  -7.977
   43   HD13  LEU   5          3HD1      LEU   5  -7.877   3.321  -7.713
   44   HD21  LEU   5          3HD2      LEU   5  -7.444   1.124  -9.143
   45   HD22  LEU   5          1HD2      LEU   5  -8.106   2.552  -9.938
   46   HD23  LEU   5          2HD2      LEU   5  -8.835   0.970 -10.217
   47    H    ARG   6           H        ARG   6 -10.334  -2.043  -5.944
   48    HA   ARG   6           HA       ARG   6  -9.493  -3.703  -4.638
   49    HB2  ARG   6           2HB      ARG   6  -9.684  -5.018  -6.678
   50    HB3  ARG   6           1HB      ARG   6  -8.109  -4.453  -7.219
   51    HG2  ARG   6           2HG      ARG   6  -8.076  -5.723  -4.585
   52    HG3  ARG   6           1HG      ARG   6  -8.581  -6.788  -5.897
   53    HD2  ARG   6           2HD      ARG   6  -6.246  -5.114  -6.497
   54    HD3  ARG   6           1HD      ARG   6  -5.999  -6.290  -5.208
   55    HE   ARG   6           HE       ARG   6  -6.221  -6.832  -7.992
   56   HH11  ARG   6          1HH1      ARG   6  -6.946  -8.139  -4.839
   57   HH12  ARG   6          2HH1      ARG   6  -6.904  -9.786  -5.373
   58   HH21  ARG   6          1HH2      ARG   6  -6.167  -8.996  -8.698
   59   HH22  ARG   6          2HH2      ARG   6  -6.462 -10.272  -7.565
   60    H    CYS   7           H        CYS   7  -8.265  -2.730  -3.118
   61    HA   CYS   7           HA       CYS   7  -5.378  -2.664  -3.600
   62    HB2  CYS   7           2HB      CYS   7  -7.113  -0.360  -2.850
   63    HB3  CYS   7           1HB      CYS   7  -5.533  -0.475  -2.083
   64    HA   PRO   8           HA       PRO   8  -6.778  -4.831   0.362
   65    HB2  PRO   8           2HB      PRO   8  -4.539  -6.558  -0.564
   66    HB3  PRO   8           1HB      PRO   8  -6.112  -7.013   0.099
   67    HG2  PRO   8           2HG      PRO   8  -5.616  -7.261  -2.505
   68    HG3  PRO   8           1HG      PRO   8  -7.202  -6.718  -1.928
   69    HD2  PRO   8           2HD      PRO   8  -4.969  -5.128  -3.119
   70    HD3  PRO   8           1HD      PRO   8  -6.723  -4.944  -3.329
   71    H    ASP   9           H        ASP   9  -4.852  -5.933   1.879
   72    HA   ASP   9           HA       ASP   9  -3.563  -3.773   3.059
   73    HB2  ASP   9           2HB      ASP   9  -3.357  -6.729   3.289
   74    HB3  ASP   9           1HB      ASP   9  -2.031  -5.783   3.956
   75    H    GLY  10           H        GLY  10  -1.690  -2.736   2.728
   76    HA2  GLY  10           2HA      GLY  10   0.661  -2.786   2.127
   77    HA3  GLY  10           1HA      GLY  10   0.257  -3.948   0.871
   78    H    MET  11           H        MET  11  -2.148  -2.409   0.091
   79    HA   MET  11           HA       MET  11  -0.793  -0.176  -1.278
   80    HB2  MET  11           2HB      MET  11  -2.974  -1.992  -2.315
   81    HB3  MET  11           1HB      MET  11  -2.391  -0.561  -3.153
   82    HG2  MET  11           2HG      MET  11  -0.329  -1.518  -3.619
   83    HG3  MET  11           1HG      MET  11  -0.506  -2.743  -2.363
   84    HE1  MET  11           3HE      MET  11  -1.934  -2.663  -6.618
   85    HE2  MET  11           1HE      MET  11  -1.611  -1.291  -5.558
   86    HE3  MET  11           2HE      MET  11  -3.215  -2.023  -5.589
   87    H    GLN  12           H        GLN  12  -1.468   1.680  -0.432
   88    HA   GLN  12           HA       GLN  12  -4.315   1.938   0.285
   89    HB2  GLN  12           2HB      GLN  12  -1.825   2.928   1.571
   90    HB3  GLN  12           1HB      GLN  12  -3.231   3.984   1.625
   91    HG2  GLN  12           2HG      GLN  12  -4.198   2.768   3.207
   92    HG3  GLN  12           1HG      GLN  12  -3.908   1.264   2.334
   93   HE21  GLN  12          1HE2      GLN  12  -2.448   3.620   4.501
   94   HE22  GLN  12          2HE2      GLN  12  -1.319   2.531   5.225
   95    H    MET  13           H        MET  13  -5.447   3.749  -0.367
   96    HA   MET  13           HA       MET  13  -4.439   5.043  -2.736
   97    HB2  MET  13           2HB      MET  13  -6.695   6.171  -2.711
   98    HB3  MET  13           1HB      MET  13  -6.734   4.414  -2.788
   99    HG2  MET  13           2HG      MET  13  -7.664   4.203  -0.740
  100    HG3  MET  13           1HG      MET  13  -6.846   5.624  -0.098
  101    HE1  MET  13           3HE      MET  13  -8.744   6.155   1.214
  102    HE2  MET  13           1HE      MET  13 -10.165   7.044   0.666
  103    HE3  MET  13           2HE      MET  13  -8.569   7.788   0.573
  104    H    LEU  14           H        LEU  14  -4.053   7.236  -3.024
  105    HA   LEU  14           HA       LEU  14  -3.530   8.716  -0.540
  106    HB2  LEU  14           2HB      LEU  14  -2.150  10.175  -2.179
  107    HB3  LEU  14           1HB      LEU  14  -1.515   8.626  -1.661
  108    HG   LEU  14           HG       LEU  14  -3.091   8.684  -4.181
  109   HD11  LEU  14          1HD1      LEU  14  -1.400   9.574  -5.505
  110   HD12  LEU  14          2HD1      LEU  14  -0.194   9.442  -4.223
  111   HD13  LEU  14          3HD1      LEU  14  -1.457  10.670  -4.124
  112   HD21  LEU  14          3HD2      LEU  14  -2.159   6.607  -3.183
  113   HD22  LEU  14          1HD2      LEU  14  -0.542   7.270  -3.419
  114   HD23  LEU  14          2HD2      LEU  14  -1.572   6.940  -4.813
  115    H    ARG  15           H        ARG  15  -3.492  11.246  -1.152
  116    HA   ARG  15           HA       ARG  15  -6.177  12.004  -1.381
  117    HB2  ARG  15           2HB      ARG  15  -3.693  13.682  -1.780
  118    HB3  ARG  15           1HB      ARG  15  -5.315  14.314  -1.533
  119    HG2  ARG  15           2HG      ARG  15  -4.597  14.448   0.600
  120    HG3  ARG  15           1HG      ARG  15  -5.134  12.768   0.636
  121    HD2  ARG  15           2HD      ARG  15  -3.067  12.059   1.043
  122    HD3  ARG  15           1HD      ARG  15  -2.444  12.925  -0.361
  123    HE   ARG  15           HE       ARG  15  -2.306  13.748   2.388
  124   HH11  ARG  15          1HH1      ARG  15  -2.286  14.839  -0.927
  125   HH12  ARG  15          2HH1      ARG  15  -1.436  16.305  -0.571
  126   HH21  ARG  15          1HH2      ARG  15  -1.186  15.675   2.859
  127   HH22  ARG  15          2HH2      ARG  15  -0.811  16.780   1.577
  128    H    SER  16           H        SER  16  -3.612  11.796  -3.769
  129    HA   SER  16           HA       SER  16  -4.941  13.175  -5.847
  130    HB2  SER  16           2HB      SER  16  -2.580  11.389  -5.632
  131    HB3  SER  16           1HB      SER  16  -3.315  11.536  -7.228
  132    HG   SER  16           HG       SER  16  -3.172  13.891  -6.811
  133    H    GLY  17           H        GLY  17  -5.096   9.888  -4.684
  134    HA2  GLY  17           2HA      GLY  17  -7.275   8.788  -5.159
  135    HA3  GLY  17           1HA      GLY  17  -7.040   9.283  -6.829
  136    H    GLN  18           H        GLN  18  -4.176   8.661  -6.786
  137    HA   GLN  18           HA       GLN  18  -4.284   6.020  -7.719
  138    HB2  GLN  18           2HB      GLN  18  -1.813   7.446  -6.731
  139    HB3  GLN  18           1HB      GLN  18  -1.890   6.138  -7.903
  140    HG2  GLN  18           2HG      GLN  18  -2.327   7.525  -9.594
  141    HG3  GLN  18           1HG      GLN  18  -3.483   8.463  -8.651
  142   HE21  GLN  18          1HE2      GLN  18  -2.814  10.476  -9.147
  143   HE22  GLN  18          2HE2      GLN  18  -1.252  11.107  -8.767
  144    H    CYS  19           H        CYS  19  -2.768   4.266  -6.839
  145    HA   CYS  19           HA       CYS  19  -3.215   4.032  -3.937
  146    HB2  CYS  19           2HB      CYS  19  -4.244   2.405  -5.832
  147    HB3  CYS  19           1HB      CYS  19  -2.719   1.580  -5.522
  148    H    VAL  20           H        VAL  20  -1.364   4.507  -2.933
  149    HA   VAL  20           HA       VAL  20   1.181   3.669  -4.098
  150    HB   VAL  20           HB       VAL  20   1.002   5.979  -3.279
  151   HG11  VAL  20          1HG1      VAL  20   0.520   4.675  -0.605
  152   HG12  VAL  20          2HG1      VAL  20  -0.585   5.719  -1.498
  153   HG13  VAL  20          3HG1      VAL  20   0.906   6.381  -0.829
  154   HG21  VAL  20          3HG2      VAL  20   3.114   6.069  -2.351
  155   HG22  VAL  20          1HG2      VAL  20   3.130   4.483  -3.123
  156   HG23  VAL  20          2HG2      VAL  20   2.868   4.615  -1.385
  157    H    ALA  21           H        ALA  21   2.673   2.368  -3.016
  158    HA   ALA  21           HA       ALA  21   1.476   0.468  -1.170
  159    HB1  ALA  21           1HB      ALA  21   3.522  -0.841  -1.534
  160    HB2  ALA  21           2HB      ALA  21   4.174   0.470  -2.518
  161    HB3  ALA  21           3HB      ALA  21   2.737  -0.403  -3.053
  162    H    THR  22           H        THR  22   1.825   0.427   0.958
  163    HA   THR  22           HA       THR  22   3.616   2.404   2.117
  164    HB   THR  22           HB       THR  22   1.337   2.212   3.000
  165    HG1  THR  22           1HG      THR  22   1.995   2.515   4.992
  166   HG21  THR  22          3HG2      THR  22   0.344   0.342   3.699
  167   HG22  THR  22          1HG2      THR  22   1.808  -0.270   4.467
  168   HG23  THR  22          2HG2      THR  22   1.569  -0.479   2.731
  169    H    THR  23           H        THR  23   5.141   0.585   0.880
  170    HA   THR  23           HA       THR  23   6.642  -0.547   3.053
  171    HB   THR  23           HB       THR  23   5.081  -2.365   2.759
  172    HG1  THR  23           1HG      THR  23   7.479  -3.056   1.419
  173   HG21  THR  23          3HG2      THR  23   5.913  -2.632  -0.109
  174   HG22  THR  23          1HG2      THR  23   4.458  -1.765   0.386
  175   HG23  THR  23          2HG2      THR  23   4.627  -3.481   0.750
  176    H    GLU  24           H        GLU  24   7.667   1.350   1.709
  177    HA   GLU  24           HA       GLU  24   8.886   0.625  -0.776
  178    HB2  GLU  24           2HB      GLU  24   8.565   2.994   0.775
  179    HB3  GLU  24           1HB      GLU  24  10.281   2.790   0.450
  180    HG2  GLU  24           2HG      GLU  24   8.443   2.409  -1.830
  181    HG3  GLU  24           1HG      GLU  24   8.614   4.050  -1.206
  182    HA   PRO  25           HA       PRO  25  12.935   0.253   1.788
  183    HB2  PRO  25           2HB      PRO  25  12.823   0.470   4.479
  184    HB3  PRO  25           1HB      PRO  25  12.997   1.874   3.421
  185    HG2  PRO  25           2HG      PRO  25  10.538   0.796   4.748
  186    HG3  PRO  25           1HG      PRO  25  11.081   2.476   4.597
  187    HD2  PRO  25           2HD      PRO  25   9.184   1.394   2.985
  188    HD3  PRO  25           1HD      PRO  25  10.290   2.671   2.444
  189    HA   PRO  26           HA       PRO  26  11.506  -3.993   2.596
  190    HB2  PRO  26           2HB      PRO  26  14.122  -4.762   1.541
  191    HB3  PRO  26           1HB      PRO  26  12.515  -5.130   0.911
  192    HG2  PRO  26           2HG      PRO  26  14.216  -3.441  -0.341
  193    HG3  PRO  26           1HG      PRO  26  12.454  -3.246  -0.404
  194    HD2  PRO  26           2HD      PRO  26  14.463  -1.800   1.286
  195    HD3  PRO  26           1HD      PRO  26  13.051  -1.159   0.418
  196    H    PHE  27           H        PHE  27  13.414  -5.930   3.190
  197    HA   PHE  27           HA       PHE  27  14.509  -6.834   4.965
  198    HB2  PHE  27           2HB      PHE  27  16.328  -5.414   4.164
  199    HB3  PHE  27           1HB      PHE  27  15.706  -4.059   5.097
  200    HD1  PHE  27           1HD      PHE  27  17.140  -7.461   5.403
  201    HD2  PHE  27           2HD      PHE  27  16.333  -3.752   7.329
  202    HE1  PHE  27           1HE      PHE  27  18.514  -8.162   7.320
  203    HE2  PHE  27           2HE      PHE  27  17.706  -4.447   9.249
  204    HZ   PHE  27           HZ       PHE  27  18.799  -6.654   9.247
  205    H    ASP  28           H        ASP  28  13.093  -7.340   6.530
  206    HA   ASP  28           HA       ASP  28  11.747  -5.368   8.107
  207    HB2  ASP  28           2HB      ASP  28  10.960  -7.400   9.391
  208    HB3  ASP  28           1HB      ASP  28  10.561  -7.390   7.678
  209    HA   PRO  29           HA       PRO  29  14.696  -4.938  11.364
  210    HB2  PRO  29           2HB      PRO  29  13.093  -4.283  13.437
  211    HB3  PRO  29           1HB      PRO  29  13.392  -3.181  12.087
  212    HG2  PRO  29           2HG      PRO  29  11.043  -4.965  12.593
  213    HG3  PRO  29           1HG      PRO  29  11.071  -3.291  12.009
  214    HD2  PRO  29           2HD      PRO  29  10.754  -5.440  10.364
  215    HD3  PRO  29           1HD      PRO  29  11.516  -3.922   9.845
  216    H    ASP  30           H        ASP  30  15.162  -5.680  13.641
  217    HA   ASP  30           HA       ASP  30  15.585  -7.387  15.082
  218    HB2  ASP  30           2HB      ASP  30  13.268  -6.994  15.751
  219    HB3  ASP  30           1HB      ASP  30  12.700  -8.061  14.473
  220    H    SER  31           H        SER  31  17.067  -8.233  13.451
  221    HA   SER  31           HA       SER  31  16.105 -10.686  12.155
  222    HB2  SER  31           2HB      SER  31  18.436 -10.395  10.952
  223    HB3  SER  31           1HB      SER  31  17.034  -9.460  10.430
  224    HG   SER  31           HG       SER  31  18.942  -8.533  12.311
  225    H    TYR  32           H        TYR  32  18.161 -12.232  11.821
  226    HA   TYR  32           HA       TYR  32  20.084 -12.404  13.855
  227    HB2  TYR  32           2HB      TYR  32  18.143 -12.806  15.314
  228    HB3  TYR  32           1HB      TYR  32  17.656 -14.156  14.294
  229    HD1  TYR  32           1HD      TYR  32  20.495 -12.963  16.394
  230    HD2  TYR  32           2HD      TYR  32  18.408 -16.305  14.785
  231    HE1  TYR  32           1HE      TYR  32  21.886 -14.476  17.745
  232    HE2  TYR  32           2HE      TYR  32  19.793 -17.826  16.131
  233    HH   TYR  32           HH       TYR  32  21.134 -17.693  18.264
  Start of MODEL    6
    1    H1   SER   1           1HT      SER   1 -17.720   0.188   1.750
    2    H2   SER   1           2HT      SER   1 -18.698  -0.438   3.014
    3    H3   SER   1           3HT      SER   1 -19.238   0.906   2.093
    4    HA   SER   1           HA       SER   1 -18.692  -1.744   0.949
    5    HB2  SER   1           2HB      SER   1 -21.077  -0.621   2.356
    6    HB3  SER   1           1HB      SER   1 -21.353  -1.644   0.946
    7    HG   SER   1           HG       SER   1 -19.846  -3.149   2.074
    8    H    VAL   2           H        VAL   2 -17.714   0.383  -0.329
    9    HA   VAL   2           HA       VAL   2 -19.478   0.608  -2.629
   10    HB   VAL   2           HB       VAL   2 -18.292   3.109  -1.429
   11   HG11  VAL   2          1HG1      VAL   2 -20.502   2.947  -3.444
   12   HG12  VAL   2          2HG1      VAL   2 -18.812   2.864  -3.942
   13   HG13  VAL   2          3HG1      VAL   2 -19.413   4.289  -3.090
   14   HG21  VAL   2          3HG2      VAL   2 -21.139   2.124  -1.263
   15   HG22  VAL   2          1HG2      VAL   2 -20.561   3.701  -0.729
   16   HG23  VAL   2          2HG2      VAL   2 -20.000   2.237   0.078
   17    H    GLN   3           H        GLN   3 -17.973  -0.605  -3.770
   18    HA   GLN   3           HA       GLN   3 -15.210   0.227  -3.892
   19    HB2  GLN   3           2HB      GLN   3 -15.709  -2.142  -3.982
   20    HB3  GLN   3           1HB      GLN   3 -16.736  -1.910  -5.389
   21    HG2  GLN   3           2HG      GLN   3 -14.916  -1.498  -6.793
   22    HG3  GLN   3           1HG      GLN   3 -13.828  -1.192  -5.440
   23   HE21  GLN   3          1HE2      GLN   3 -13.727  -3.092  -7.735
   24   HE22  GLN   3          2HE2      GLN   3 -13.468  -4.641  -7.018
   25    H    ILE   4           H        ILE   4 -14.587   1.879  -5.095
   26    HA   ILE   4           HA       ILE   4 -16.060   2.460  -7.578
   27    HB   ILE   4           HB       ILE   4 -16.146   4.273  -5.928
   28   HG12  ILE   4          2HG1      ILE   4 -15.390   6.086  -7.393
   29   HG13  ILE   4          1HG1      ILE   4 -14.395   4.953  -8.303
   30   HG21  ILE   4          1HG2      ILE   4 -13.701   5.465  -5.875
   31   HG22  ILE   4          2HG2      ILE   4 -13.266   3.758  -5.810
   32   HG23  ILE   4          3HG2      ILE   4 -14.351   4.438  -4.598
   33   HD11  ILE   4          3HD1      ILE   4 -16.663   5.651  -9.269
   34   HD12  ILE   4          1HD1      ILE   4 -17.350   4.560  -8.067
   35   HD13  ILE   4          2HD1      ILE   4 -16.237   3.941  -9.287
   36    H    LEU   5           H        LEU   5 -13.060   1.434  -6.308
   37    HA   LEU   5           HA       LEU   5 -11.913   1.438  -8.979
   38    HB2  LEU   5           2HB      LEU   5 -10.380   2.562  -6.640
   39    HB3  LEU   5           1HB      LEU   5  -9.828   2.437  -8.299
   40    HG   LEU   5           HG       LEU   5 -12.159   4.155  -7.459
   41   HD11  LEU   5          1HD1      LEU   5 -10.784   5.970  -7.182
   42   HD12  LEU   5          2HD1      LEU   5  -9.485   5.271  -8.149
   43   HD13  LEU   5          3HD1      LEU   5  -9.778   4.685  -6.511
   44   HD21  LEU   5          3HD2      LEU   5 -10.472   4.403  -9.928
   45   HD22  LEU   5          1HD2      LEU   5 -12.074   5.069  -9.609
   46   HD23  LEU   5          2HD2      LEU   5 -11.875   3.334  -9.870
   47    H    ARG   6           H        ARG   6 -10.914   0.827  -5.621
   48    HA   ARG   6           HA       ARG   6 -10.009  -0.995  -4.602
   49    HB2  ARG   6           2HB      ARG   6 -12.067  -2.107  -5.257
   50    HB3  ARG   6           1HB      ARG   6 -11.416  -2.433  -6.856
   51    HG2  ARG   6           2HG      ARG   6 -11.326  -4.438  -5.548
   52    HG3  ARG   6           1HG      ARG   6  -9.681  -3.857  -5.816
   53    HD2  ARG   6           2HD      ARG   6  -9.890  -4.554  -3.528
   54    HD3  ARG   6           1HD      ARG   6  -9.747  -2.797  -3.573
   55    HE   ARG   6           HE       ARG   6 -12.453  -3.367  -3.579
   56   HH11  ARG   6          1HH1      ARG   6  -9.730  -3.892  -1.460
   57   HH12  ARG   6          2HH1      ARG   6 -10.689  -3.862  -0.017
   58   HH21  ARG   6          1HH2      ARG   6 -13.715  -3.328  -1.683
   59   HH22  ARG   6          2HH2      ARG   6 -12.949  -3.542  -0.143
   60    H    CYS   7           H        CYS   7  -7.872  -1.162  -4.630
   61    HA   CYS   7           HA       CYS   7  -6.464  -1.489  -7.158
   62    HB2  CYS   7           2HB      CYS   7  -5.866  -0.304  -4.592
   63    HB3  CYS   7           1HB      CYS   7  -4.601  -1.437  -5.054
   64    HA   PRO   8           HA       PRO   8  -5.356  -5.733  -7.020
   65    HB2  PRO   8           2HB      PRO   8  -2.506  -4.935  -6.666
   66    HB3  PRO   8           1HB      PRO   8  -3.230  -6.026  -7.852
   67    HG2  PRO   8           2HG      PRO   8  -2.482  -3.564  -8.545
   68    HG3  PRO   8           1HG      PRO   8  -3.962  -4.290  -9.201
   69    HD2  PRO   8           2HD      PRO   8  -3.645  -2.191  -7.111
   70    HD3  PRO   8           1HD      PRO   8  -4.925  -2.397  -8.322
   71    H    ASP   9           H        ASP   9  -3.875  -7.336  -5.747
   72    HA   ASP   9           HA       ASP   9  -4.589  -7.130  -3.013
   73    HB2  ASP   9           2HB      ASP   9  -3.997  -9.206  -4.636
   74    HB3  ASP   9           1HB      ASP   9  -2.470  -9.056  -3.771
   75    H    GLY  10           H        GLY  10  -3.653  -5.722  -1.678
   76    HA2  GLY  10           2HA      GLY  10  -1.904  -5.044  -0.272
   77    HA3  GLY  10           1HA      GLY  10  -0.761  -5.826  -1.354
   78    H    MET  11           H        MET  11  -3.088  -3.794  -2.845
   79    HA   MET  11           HA       MET  11  -1.035  -1.705  -3.154
   80    HB2  MET  11           2HB      MET  11  -3.106  -2.754  -5.069
   81    HB3  MET  11           1HB      MET  11  -2.349  -1.185  -5.303
   82    HG2  MET  11           2HG      MET  11  -0.791  -3.737  -5.023
   83    HG3  MET  11           1HG      MET  11  -1.337  -3.099  -6.572
   84    HE1  MET  11           3HE      MET  11   0.642  -1.930  -8.004
   85    HE2  MET  11           1HE      MET  11   1.116  -3.430  -7.205
   86    HE3  MET  11           2HE      MET  11   2.201  -2.039  -7.188
   87    H    GLN  12           H        GLN  12  -1.495   0.207  -2.304
   88    HA   GLN  12           HA       GLN  12  -4.325   0.938  -1.928
   89    HB2  GLN  12           2HB      GLN  12  -2.097   0.868  -0.005
   90    HB3  GLN  12           1HB      GLN  12  -3.037   2.355   0.023
   91    HG2  GLN  12           2HG      GLN  12  -4.472  -0.250   0.059
   92    HG3  GLN  12           1HG      GLN  12  -3.678   0.312   1.529
   93   HE21  GLN  12          1HE2      GLN  12  -5.128   1.159   2.833
   94   HE22  GLN  12          2HE2      GLN  12  -6.410   2.225   2.379
   95    H    MET  13           H        MET  13  -4.935   2.912  -2.603
   96    HA   MET  13           HA       MET  13  -3.125   4.432  -4.217
   97    HB2  MET  13           2HB      MET  13  -5.110   5.985  -4.438
   98    HB3  MET  13           1HB      MET  13  -5.374   4.329  -4.968
   99    HG2  MET  13           2HG      MET  13  -6.048   4.809  -2.165
  100    HG3  MET  13           1HG      MET  13  -7.011   5.736  -3.313
  101    HE1  MET  13           3HE      MET  13  -6.950   3.407  -5.850
  102    HE2  MET  13           1HE      MET  13  -8.087   4.678  -5.401
  103    HE3  MET  13           2HE      MET  13  -8.634   3.005  -5.515
  104    H    LEU  14           H        LEU  14  -2.367   6.523  -3.887
  105    HA   LEU  14           HA       LEU  14  -2.355   7.383  -1.074
  106    HB2  LEU  14           2HB      LEU  14  -0.402   8.263  -3.185
  107    HB3  LEU  14           1HB      LEU  14  -0.237   8.370  -1.443
  108    HG   LEU  14           HG       LEU  14  -0.314   5.748  -2.925
  109   HD11  LEU  14          1HD1      LEU  14   1.631   7.466  -3.400
  110   HD12  LEU  14          2HD1      LEU  14   1.954   5.746  -3.176
  111   HD13  LEU  14          3HD1      LEU  14   2.215   6.872  -1.845
  112   HD21  LEU  14          3HD2      LEU  14   0.036   4.742  -0.937
  113   HD22  LEU  14          1HD2      LEU  14  -0.717   6.204  -0.301
  114   HD23  LEU  14          2HD2      LEU  14   1.039   6.058  -0.326
  115    H    ARG  15           H        ARG  15  -1.831   9.871  -0.959
  116    HA   ARG  15           HA       ARG  15  -4.115  11.235  -1.827
  117    HB2  ARG  15           2HB      ARG  15  -2.845  13.301  -1.147
  118    HB3  ARG  15           1HB      ARG  15  -2.957  12.052   0.086
  119    HG2  ARG  15           2HG      ARG  15  -0.589  11.684  -1.503
  120    HG3  ARG  15           1HG      ARG  15  -0.654  13.321  -0.847
  121    HD2  ARG  15           2HD      ARG  15  -1.397  11.882   1.320
  122    HD3  ARG  15           1HD      ARG  15  -0.317  10.736   0.524
  123    HE   ARG  15           HE       ARG  15   0.427  13.123   1.895
  124   HH11  ARG  15          1HH1      ARG  15   1.317  11.020  -0.744
  125   HH12  ARG  15          2HH1      ARG  15   2.991  11.457  -0.693
  126   HH21  ARG  15          1HH2      ARG  15   2.629  13.698   1.966
  127   HH22  ARG  15          2HH2      ARG  15   3.737  12.976   0.847
  128    H    SER  16           H        SER  16  -0.977  10.819  -3.298
  129    HA   SER  16           HA       SER  16  -1.177  12.899  -5.209
  130    HB2  SER  16           2HB      SER  16   0.557  10.522  -4.803
  131    HB3  SER  16           1HB      SER  16   0.480  11.174  -6.440
  132    HG   SER  16           HG       SER  16   1.125  13.182  -5.610
  133    H    GLY  17           H        GLY  17  -2.230   9.546  -5.167
  134    HA2  GLY  17           2HA      GLY  17  -4.324   9.241  -6.533
  135    HA3  GLY  17           1HA      GLY  17  -3.402   9.945  -7.851
  136    H    GLN  18           H        GLN  18  -0.940   8.527  -7.025
  137    HA   GLN  18           HA       GLN  18  -1.323   6.181  -8.585
  138    HB2  GLN  18           2HB      GLN  18   0.842   7.711  -7.886
  139    HB3  GLN  18           1HB      GLN  18   1.093   6.269  -6.912
  140    HG2  GLN  18           2HG      GLN  18   0.385   5.800  -9.729
  141    HG3  GLN  18           1HG      GLN  18   1.954   6.549  -9.441
  142   HE21  GLN  18          1HE2      GLN  18   1.084   3.829 -10.373
  143   HE22  GLN  18          2HE2      GLN  18   1.943   2.729  -9.355
  144    H    CYS  19           H        CYS  19  -0.502   4.005  -7.767
  145    HA   CYS  19           HA       CYS  19  -1.582   3.507  -5.070
  146    HB2  CYS  19           2HB      CYS  19  -2.746   2.607  -7.315
  147    HB3  CYS  19           1HB      CYS  19  -1.587   1.306  -7.066
  148    H    VAL  20           H        VAL  20   0.069   3.109  -3.751
  149    HA   VAL  20           HA       VAL  20   2.402   1.654  -4.769
  150    HB   VAL  20           HB       VAL  20   2.838   3.789  -3.624
  151   HG11  VAL  20          1HG1      VAL  20   0.839   3.073  -1.918
  152   HG12  VAL  20          2HG1      VAL  20   2.007   4.361  -1.620
  153   HG13  VAL  20          3HG1      VAL  20   2.272   2.756  -0.940
  154   HG21  VAL  20          3HG2      VAL  20   4.697   3.057  -2.438
  155   HG22  VAL  20          1HG2      VAL  20   4.362   1.703  -3.520
  156   HG23  VAL  20          2HG2      VAL  20   3.869   1.624  -1.828
  157    H    ALA  21           H        ALA  21   3.340  -0.058  -3.492
  158    HA   ALA  21           HA       ALA  21   1.366  -1.890  -2.527
  159    HB1  ALA  21           1HB      ALA  21   4.237  -2.429  -2.041
  160    HB2  ALA  21           2HB      ALA  21   3.720  -2.262  -3.719
  161    HB3  ALA  21           3HB      ALA  21   2.977  -3.481  -2.685
  162    H    THR  22           H        THR  22   1.009  -2.625  -0.460
  163    HA   THR  22           HA       THR  22   1.384  -0.802   1.655
  164    HB   THR  22           HB       THR  22  -0.497  -2.276   1.725
  165    HG1  THR  22           1HG      THR  22  -0.310  -2.412   3.793
  166   HG21  THR  22          3HG2      THR  22   0.277  -4.790   2.376
  167   HG22  THR  22          1HG2      THR  22   1.471  -4.360   1.150
  168   HG23  THR  22          2HG2      THR  22  -0.250  -4.279   0.773
  169    H    THR  23           H        THR  23   3.680  -0.442   1.606
  170    HA   THR  23           HA       THR  23   5.118  -2.400   3.240
  171    HB   THR  23           HB       THR  23   6.617  -1.046   1.040
  172    HG1  THR  23           1HG      THR  23   4.882  -1.998  -0.039
  173   HG21  THR  23          3HG2      THR  23   7.288  -2.911   2.974
  174   HG22  THR  23          1HG2      THR  23   8.240  -2.455   1.561
  175   HG23  THR  23          2HG2      THR  23   7.152  -3.841   1.482
  176    H    GLU  24           H        GLU  24   3.916  -0.059   4.124
  177    HA   GLU  24           HA       GLU  24   5.501   2.228   4.159
  178    HB2  GLU  24           2HB      GLU  24   3.157   1.305   5.468
  179    HB3  GLU  24           1HB      GLU  24   4.238   1.918   6.711
  180    HG2  GLU  24           2HG      GLU  24   2.801   3.685   5.992
  181    HG3  GLU  24           1HG      GLU  24   4.440   4.026   5.438
  182    HA   PRO  25           HA       PRO  25   7.615   0.693   8.210
  183    HB2  PRO  25           2HB      PRO  25   7.192  -1.873   8.988
  184    HB3  PRO  25           1HB      PRO  25   6.167  -0.529   9.506
  185    HG2  PRO  25           2HG      PRO  25   5.708  -2.533   7.328
  186    HG3  PRO  25           1HG      PRO  25   4.568  -1.915   8.538
  187    HD2  PRO  25           2HD      PRO  25   4.615  -1.006   5.992
  188    HD3  PRO  25           1HD      PRO  25   4.181   0.032   7.366
  189    HA   PRO  26           HA       PRO  26  10.671  -0.930   5.253
  190    HB2  PRO  26           2HB      PRO  26  12.391  -0.250   7.591
  191    HB3  PRO  26           1HB      PRO  26  12.613   0.138   5.882
  192    HG2  PRO  26           2HG      PRO  26  11.792   1.999   7.595
  193    HG3  PRO  26           1HG      PRO  26  11.118   1.912   5.956
  194    HD2  PRO  26           2HD      PRO  26   9.910   1.070   8.553
  195    HD3  PRO  26           1HD      PRO  26   9.136   1.789   7.127
  196    H    PHE  27           H        PHE  27  12.716  -2.399   5.760
  197    HA   PHE  27           HA       PHE  27  11.646  -4.783   6.979
  198    HB2  PHE  27           2HB      PHE  27  13.388  -4.306   4.896
  199    HB3  PHE  27           1HB      PHE  27  14.462  -4.870   6.173
  200    HD1  PHE  27           2HD      PHE  27  11.279  -5.750   4.457
  201    HD2  PHE  27           1HD      PHE  27  14.741  -7.136   6.507
  202    HE1  PHE  27           2HE      PHE  27  10.637  -8.073   3.961
  203    HE2  PHE  27           1HE      PHE  27  14.107  -9.462   6.014
  204    HZ   PHE  27           HZ       PHE  27  12.052  -9.932   4.740
  205    H    ASP  28           H        ASP  28  13.321  -6.131   8.305
  206    HA   ASP  28           HA       ASP  28  13.638  -4.899  10.785
  207    HB2  ASP  28           2HB      ASP  28  15.222  -7.285   9.833
  208    HB3  ASP  28           1HB      ASP  28  14.738  -6.899  11.478
  209    HA   PRO  29           HA       PRO  29  17.393  -2.624  10.938
  210    HB2  PRO  29           2HB      PRO  29  18.422  -4.610  12.911
  211    HB3  PRO  29           1HB      PRO  29  18.362  -2.847  13.019
  212    HG2  PRO  29           2HG      PRO  29  16.614  -4.345  14.353
  213    HG3  PRO  29           1HG      PRO  29  16.113  -2.827  13.587
  214    HD2  PRO  29           2HD      PRO  29  15.617  -5.638  12.729
  215    HD3  PRO  29           1HD      PRO  29  14.589  -4.203  12.551
  216    H    ASP  30           H        ASP  30  18.346  -6.008  11.484
  217    HA   ASP  30           HA       ASP  30  19.922  -5.958   9.028
  218    HB2  ASP  30           2HB      ASP  30  21.872  -6.969  10.278
  219    HB3  ASP  30           1HB      ASP  30  21.569  -5.266  10.610
  220    H    SER  31           H        SER  31  17.482  -7.324   9.957
  221    HA   SER  31           HA       SER  31  16.503  -9.374   9.851
  222    HB2  SER  31           2HB      SER  31  19.040 -10.113   8.372
  223    HB3  SER  31           1HB      SER  31  17.538 -11.035   8.364
  224    HG   SER  31           HG       SER  31  17.659  -8.331   7.547
  225    H    TYR  32           H        TYR  32  16.954  -9.323  12.241
  226    HA   TYR  32           HA       TYR  32  18.974 -11.253  13.092
  227    HB2  TYR  32           2HB      TYR  32  17.643  -8.960  14.317
  228    HB3  TYR  32           1HB      TYR  32  17.687 -10.364  15.377
  229    HD1  TYR  32           1HD      TYR  32  20.269 -11.579  14.656
  230    HD2  TYR  32           2HD      TYR  32  19.223  -7.492  15.194
  231    HE1  TYR  32           1HE      TYR  32  22.601 -11.066  15.243
  232    HE2  TYR  32           2HE      TYR  32  21.552  -6.966  15.782
  233    HH   TYR  32           HH       TYR  32  23.755  -9.145  16.692
  Start of MODEL    7
    1    H1   SER   1           1HT      SER   1 -18.015   5.191 -13.321
    2    H2   SER   1           2HT      SER   1 -19.533   4.424 -13.552
    3    H3   SER   1           3HT      SER   1 -18.437   4.574 -14.864
    4    HA   SER   1           HA       SER   1 -18.434   2.365 -14.032
    5    HB2  SER   1           2HB      SER   1 -16.093   4.182 -13.875
    6    HB3  SER   1           1HB      SER   1 -15.881   2.582 -13.167
    7    HG   SER   1           HG       SER   1 -16.859   3.044 -15.789
    8    H    VAL   2           H        VAL   2 -18.797   1.038 -12.366
    9    HA   VAL   2           HA       VAL   2 -19.401   1.988  -9.802
   10    HB   VAL   2           HB       VAL   2 -20.311  -0.112 -10.694
   11   HG11  VAL   2          1HG1      VAL   2 -18.105  -0.809 -11.736
   12   HG12  VAL   2          2HG1      VAL   2 -19.046  -2.080 -10.957
   13   HG13  VAL   2          3HG1      VAL   2 -17.649  -1.388 -10.133
   14   HG21  VAL   2          3HG2      VAL   2 -20.089   0.393  -8.206
   15   HG22  VAL   2          1HG2      VAL   2 -18.749  -0.755  -8.208
   16   HG23  VAL   2          2HG2      VAL   2 -20.369  -1.288  -8.660
   17    H    GLN   3           H        GLN   3 -18.360   1.446  -7.766
   18    HA   GLN   3           HA       GLN   3 -15.681   2.241  -7.659
   19    HB2  GLN   3           2HB      GLN   3 -15.762   1.601  -5.295
   20    HB3  GLN   3           1HB      GLN   3 -17.209   2.483  -5.766
   21    HG2  GLN   3           2HG      GLN   3 -17.981  -0.087  -6.190
   22    HG3  GLN   3           1HG      GLN   3 -16.901  -0.263  -4.808
   23   HE21  GLN   3          1HE2      GLN   3 -19.998  -0.018  -5.533
   24   HE22  GLN   3          2HE2      GLN   3 -20.598   0.846  -4.162
   25    H    ILE   4           H        ILE   4 -14.164   1.090  -8.711
   26    HA   ILE   4           HA       ILE   4 -13.886  -1.752  -7.982
   27    HB   ILE   4           HB       ILE   4 -13.068  -0.568 -10.634
   28   HG12  ILE   4          2HG1      ILE   4 -15.284  -2.500 -10.593
   29   HG13  ILE   4          1HG1      ILE   4 -15.666  -0.956  -9.838
   30   HG21  ILE   4          1HG2      ILE   4 -13.531  -3.442 -10.425
   31   HG22  ILE   4          2HG2      ILE   4 -12.220  -2.860  -9.399
   32   HG23  ILE   4          3HG2      ILE   4 -12.182  -2.558 -11.137
   33   HD11  ILE   4          3HD1      ILE   4 -16.120  -0.205 -11.870
   34   HD12  ILE   4          1HD1      ILE   4 -15.414  -1.634 -12.627
   35   HD13  ILE   4          2HD1      ILE   4 -14.388  -0.266 -12.196
   36    H    LEU   5           H        LEU   5 -12.699   0.265  -6.495
   37    HA   LEU   5           HA       LEU   5  -9.985   0.661  -7.372
   38    HB2  LEU   5           2HB      LEU   5 -11.065   1.141  -4.607
   39    HB3  LEU   5           1HB      LEU   5  -9.670   1.889  -5.361
   40    HG   LEU   5           HG       LEU   5 -11.597   2.700  -7.066
   41   HD11  LEU   5          1HD1      LEU   5 -13.360   3.528  -5.233
   42   HD12  LEU   5          2HD1      LEU   5 -12.931   1.966  -4.535
   43   HD13  LEU   5          3HD1      LEU   5 -13.570   2.053  -6.176
   44   HD21  LEU   5          3HD2      LEU   5 -10.187   4.330  -6.259
   45   HD22  LEU   5          1HD2      LEU   5 -10.462   3.887  -4.574
   46   HD23  LEU   5          2HD2      LEU   5 -11.702   4.765  -5.470
   47    H    ARG   6           H        ARG   6 -11.353  -0.882  -4.477
   48    HA   ARG   6           HA       ARG   6 -10.643  -2.618  -3.191
   49    HB2  ARG   6           2HB      ARG   6 -11.099  -3.895  -5.220
   50    HB3  ARG   6           1HB      ARG   6  -9.486  -3.543  -5.824
   51    HG2  ARG   6           2HG      ARG   6  -8.702  -4.703  -3.632
   52    HG3  ARG   6           1HG      ARG   6 -10.328  -5.392  -3.639
   53    HD2  ARG   6           2HD      ARG   6  -9.114  -6.982  -4.799
   54    HD3  ARG   6           1HD      ARG   6  -9.785  -5.999  -6.100
   55    HE   ARG   6           HE       ARG   6  -7.181  -5.147  -5.234
   56   HH11  ARG   6          1HH1      ARG   6  -8.926  -7.309  -7.346
   57   HH12  ARG   6          2HH1      ARG   6  -7.616  -7.475  -8.464
   58   HH21  ARG   6          1HH2      ARG   6  -5.456  -5.364  -6.705
   59   HH22  ARG   6          2HH2      ARG   6  -5.645  -6.371  -8.101
   60    H    CYS   7           H        CYS   7  -9.243  -1.504  -1.843
   61    HA   CYS   7           HA       CYS   7  -6.412  -2.058  -2.311
   62    HB2  CYS   7           2HB      CYS   7  -7.648   0.621  -2.188
   63    HB3  CYS   7           1HB      CYS   7  -6.211   0.414  -1.191
   64    HA   PRO   8           HA       PRO   8  -8.042  -2.961   2.019
   65    HB2  PRO   8           2HB      PRO   8  -6.634  -5.509   1.524
   66    HB3  PRO   8           1HB      PRO   8  -8.263  -5.228   2.144
   67    HG2  PRO   8           2HG      PRO   8  -7.857  -6.176  -0.327
   68    HG3  PRO   8           1HG      PRO   8  -9.184  -5.053   0.031
   69    HD2  PRO   8           2HD      PRO   8  -6.534  -4.511  -1.256
   70    HD3  PRO   8           1HD      PRO   8  -8.140  -3.878  -1.672
   71    H    ASP   9           H        ASP   9  -6.331  -4.584   3.520
   72    HA   ASP   9           HA       ASP   9  -4.398  -2.813   4.398
   73    HB2  ASP   9           2HB      ASP   9  -3.399  -4.742   5.590
   74    HB3  ASP   9           1HB      ASP   9  -5.150  -4.674   5.767
   75    H    GLY  10           H        GLY  10  -2.386  -2.286   3.798
   76    HA2  GLY  10           2HA      GLY  10  -0.210  -3.012   2.945
   77    HA3  GLY  10           1HA      GLY  10  -1.078  -3.965   1.751
   78    H    MET  11           H        MET  11  -3.025  -1.783   1.289
   79    HA   MET  11           HA       MET  11  -1.288   0.153  -0.085
   80    HB2  MET  11           2HB      MET  11  -3.067   0.114  -1.934
   81    HB3  MET  11           1HB      MET  11  -1.940  -1.234  -1.860
   82    HG2  MET  11           2HG      MET  11  -4.594  -1.400  -0.497
   83    HG3  MET  11           1HG      MET  11  -4.454  -1.692  -2.228
   84    HE1  MET  11           3HE      MET  11  -4.184  -3.944  -3.139
   85    HE2  MET  11           1HE      MET  11  -2.959  -5.086  -2.584
   86    HE3  MET  11           2HE      MET  11  -2.482  -3.484  -3.149
   87    H    GLN  12           H        GLN  12  -1.998   2.253  -0.118
   88    HA   GLN  12           HA       GLN  12  -4.665   2.841   0.928
   89    HB2  GLN  12           2HB      GLN  12  -3.170   2.856   2.876
   90    HB3  GLN  12           1HB      GLN  12  -2.125   4.019   2.071
   91    HG2  GLN  12           2HG      GLN  12  -3.530   5.119   3.700
   92    HG3  GLN  12           1HG      GLN  12  -3.940   5.651   2.070
   93   HE21  GLN  12          1HE2      GLN  12  -5.143   4.542   4.964
   94   HE22  GLN  12          2HE2      GLN  12  -6.733   4.101   4.448
   95    H    MET  13           H        MET  13  -5.358   5.034   0.553
   96    HA   MET  13           HA       MET  13  -4.795   5.961  -2.025
   97    HB2  MET  13           2HB      MET  13  -6.117   7.322   0.322
   98    HB3  MET  13           1HB      MET  13  -6.051   8.021  -1.290
   99    HG2  MET  13           2HG      MET  13  -7.193   5.932  -2.114
  100    HG3  MET  13           1HG      MET  13  -7.454   5.513  -0.421
  101    HE1  MET  13           3HE      MET  13  -7.994   7.582   1.135
  102    HE2  MET  13           1HE      MET  13  -9.581   8.324   0.938
  103    HE3  MET  13           2HE      MET  13  -8.143   9.146   0.334
  104    H    LEU  14           H        LEU  14  -4.029   8.179  -2.577
  105    HA   LEU  14           HA       LEU  14  -1.882   9.109  -0.801
  106    HB2  LEU  14           2HB      LEU  14  -1.576   8.860  -3.790
  107    HB3  LEU  14           1HB      LEU  14  -0.343   9.322  -2.631
  108    HG   LEU  14           HG       LEU  14  -1.617   6.589  -2.797
  109   HD11  LEU  14          1HD1      LEU  14   0.166   7.637  -4.568
  110   HD12  LEU  14          2HD1      LEU  14   0.002   5.922  -4.191
  111   HD13  LEU  14          3HD1      LEU  14   1.235   6.888  -3.381
  112   HD21  LEU  14          3HD2      LEU  14  -0.868   6.450  -0.692
  113   HD22  LEU  14          1HD2      LEU  14   0.125   7.899  -0.848
  114   HD23  LEU  14          2HD2      LEU  14   0.733   6.348  -1.424
  115    H    ARG  15           H        ARG  15  -0.954  11.260  -1.797
  116    HA   ARG  15           HA       ARG  15  -2.972  13.186  -1.649
  117    HB2  ARG  15           2HB      ARG  15  -0.149  13.325  -2.704
  118    HB3  ARG  15           1HB      ARG  15  -1.190  14.738  -2.594
  119    HG2  ARG  15           2HG      ARG  15  -0.982  14.885  -0.358
  120    HG3  ARG  15           1HG      ARG  15  -0.956  13.134  -0.136
  121    HD2  ARG  15           2HD      ARG  15   1.330  12.994  -0.649
  122    HD3  ARG  15           1HD      ARG  15   1.355  14.605  -1.366
  123    HE   ARG  15           HE       ARG  15   0.691  15.096   1.204
  124   HH11  ARG  15          1HH1      ARG  15   3.268  13.262  -0.270
  125   HH12  ARG  15          2HH1      ARG  15   4.385  13.555   1.021
  126   HH21  ARG  15          1HH2      ARG  15   2.158  15.483   2.904
  127   HH22  ARG  15          2HH2      ARG  15   3.755  14.817   2.823
  128    H    SER  16           H        SER  16  -1.632  11.477  -4.382
  129    HA   SER  16           HA       SER  16  -2.640  13.193  -6.406
  130    HB2  SER  16           2HB      SER  16  -2.318  10.310  -7.023
  131    HB3  SER  16           1HB      SER  16  -1.700  11.723  -7.877
  132    HG   SER  16           HG       SER  16  -0.567  10.250  -5.825
  133    H    GLY  17           H        GLY  17  -3.929  10.378  -4.724
  134    HA2  GLY  17           2HA      GLY  17  -6.448  10.609  -4.490
  135    HA3  GLY  17           1HA      GLY  17  -6.441  10.686  -6.245
  136    H    GLN  18           H        GLN  18  -4.293   8.687  -6.468
  137    HA   GLN  18           HA       GLN  18  -5.986   6.343  -6.317
  138    HB2  GLN  18           2HB      GLN  18  -3.417   7.048  -7.640
  139    HB3  GLN  18           1HB      GLN  18  -3.700   5.350  -7.283
  140    HG2  GLN  18           2HG      GLN  18  -5.960   6.706  -8.550
  141    HG3  GLN  18           1HG      GLN  18  -4.501   6.634  -9.538
  142   HE21  GLN  18          1HE2      GLN  18  -6.622   4.619  -7.548
  143   HE22  GLN  18          2HE2      GLN  18  -6.448   3.188  -8.499
  144    H    CYS  19           H        CYS  19  -5.125   4.280  -5.465
  145    HA   CYS  19           HA       CYS  19  -3.648   4.757  -2.969
  146    HB2  CYS  19           2HB      CYS  19  -4.702   2.583  -2.233
  147    HB3  CYS  19           1HB      CYS  19  -5.823   3.917  -2.480
  148    H    VAL  20           H        VAL  20  -1.629   4.075  -2.906
  149    HA   VAL  20           HA       VAL  20  -0.763   2.004  -4.795
  150    HB   VAL  20           HB       VAL  20   0.497   4.111  -4.834
  151   HG11  VAL  20          1HG1      VAL  20   1.899   4.766  -2.950
  152   HG12  VAL  20          2HG1      VAL  20   1.253   3.432  -1.995
  153   HG13  VAL  20          3HG1      VAL  20   0.195   4.752  -2.493
  154   HG21  VAL  20          3HG2      VAL  20   2.625   3.158  -4.966
  155   HG22  VAL  20          1HG2      VAL  20   1.534   1.796  -5.225
  156   HG23  VAL  20          2HG2      VAL  20   2.301   2.026  -3.654
  157    H    ALA  21           H        ALA  21   0.735   0.353  -4.063
  158    HA   ALA  21           HA       ALA  21  -0.053  -0.686  -1.463
  159    HB1  ALA  21           1HB      ALA  21   1.527  -2.615  -2.407
  160    HB2  ALA  21           2HB      ALA  21   1.123  -1.825  -3.931
  161    HB3  ALA  21           3HB      ALA  21  -0.160  -2.447  -2.892
  162    H    THR  22           H        THR  22   1.069   0.178   0.183
  163    HA   THR  22           HA       THR  22   3.665   1.191   0.089
  164    HB   THR  22           HB       THR  22   2.759  -0.006   2.648
  165    HG1  THR  22           1HG      THR  22   0.814   0.717   2.383
  166   HG21  THR  22          3HG2      THR  22   4.651   1.563   2.549
  167   HG22  THR  22          1HG2      THR  22   3.327   2.140   3.561
  168   HG23  THR  22          2HG2      THR  22   3.555   2.807   1.945
  169    H    THR  23           H        THR  23   5.120  -0.176  -0.895
  170    HA   THR  23           HA       THR  23   5.550  -2.817   0.295
  171    HB   THR  23           HB       THR  23   5.373  -2.835  -2.105
  172    HG1  THR  23           1HG      THR  23   6.910  -4.258  -1.400
  173   HG21  THR  23          3HG2      THR  23   7.082  -0.472  -1.955
  174   HG22  THR  23          1HG2      THR  23   5.910  -0.958  -3.180
  175   HG23  THR  23          2HG2      THR  23   7.539  -1.633  -3.202
  176    H    GLU  24           H        GLU  24   6.303  -0.394   1.702
  177    HA   GLU  24           HA       GLU  24   9.081   0.087   1.484
  178    HB2  GLU  24           2HB      GLU  24   6.997   1.229   2.869
  179    HB3  GLU  24           1HB      GLU  24   7.933   0.479   4.154
  180    HG2  GLU  24           2HG      GLU  24   9.605   1.914   2.270
  181    HG3  GLU  24           1HG      GLU  24   8.385   2.946   3.013
  182    HA   PRO  25           HA       PRO  25  10.730  -3.486   3.508
  183    HB2  PRO  25           2HB      PRO  25  13.124  -2.517   4.312
  184    HB3  PRO  25           1HB      PRO  25  12.759  -2.865   2.618
  185    HG2  PRO  25           2HG      PRO  25  12.722  -0.242   4.064
  186    HG3  PRO  25           1HG      PRO  25  13.369  -0.624   2.457
  187    HD2  PRO  25           2HD      PRO  25  10.954   0.549   2.820
  188    HD3  PRO  25           1HD      PRO  25  11.294  -0.543   1.463
  189    HA   PRO  26           HA       PRO  26   9.509  -2.365   7.742
  190    HB2  PRO  26           2HB      PRO  26   8.804  -4.850   8.515
  191    HB3  PRO  26           1HB      PRO  26   7.758  -3.850   7.501
  192    HG2  PRO  26           2HG      PRO  26   9.602  -6.071   6.710
  193    HG3  PRO  26           1HG      PRO  26   7.951  -5.739   6.155
  194    HD2  PRO  26           2HD      PRO  26  10.169  -5.061   4.726
  195    HD3  PRO  26           1HD      PRO  26   8.645  -4.154   4.644
  196    H    PHE  27           H        PHE  27   9.962  -3.914   9.865
  197    HA   PHE  27           HA       PHE  27  12.746  -3.712  10.281
  198    HB2  PHE  27           2HB      PHE  27  10.423  -4.718  11.842
  199    HB3  PHE  27           1HB      PHE  27  12.022  -5.254  12.346
  200    HD1  PHE  27           2HD      PHE  27  10.103  -2.172  11.537
  201    HD2  PHE  27           1HD      PHE  27  13.291  -3.921  13.746
  202    HE1  PHE  27           2HE      PHE  27  10.424  -0.051  12.742
  203    HE2  PHE  27           1HE      PHE  27  13.619  -1.804  14.956
  204    HZ   PHE  27           HZ       PHE  27  12.185   0.135  14.454
  205    H    ASP  28           H        ASP  28  13.718  -4.952   8.629
  206    HA   ASP  28           HA       ASP  28  13.219  -7.639   8.083
  207    HB2  ASP  28           2HB      ASP  28  15.491  -5.778   7.627
  208    HB3  ASP  28           1HB      ASP  28  15.824  -7.499   7.471
  209    HA   PRO  29           HA       PRO  29  14.873 -10.228  11.221
  210    HB2  PRO  29           2HB      PRO  29  16.934 -11.203   9.303
  211    HB3  PRO  29           1HB      PRO  29  15.785 -12.121  10.284
  212    HG2  PRO  29           2HG      PRO  29  15.388 -11.800   7.671
  213    HG3  PRO  29           1HG      PRO  29  14.031 -11.755   8.812
  214    HD2  PRO  29           2HD      PRO  29  15.389  -9.512   7.389
  215    HD3  PRO  29           1HD      PRO  29  13.681  -9.702   7.827
  216    H    ASP  30           H        ASP  30  17.697  -9.364   9.238
  217    HA   ASP  30           HA       ASP  30  19.740  -8.517   9.769
  218    HB2  ASP  30           2HB      ASP  30  18.431  -6.530  10.335
  219    HB3  ASP  30           1HB      ASP  30  18.148  -7.160  11.955
  220    H    SER  31           H        SER  31  20.372 -10.712  10.345
  221    HA   SER  31           HA       SER  31  20.263 -11.748  12.944
  222    HB2  SER  31           2HB      SER  31  22.646 -12.432  11.319
  223    HB3  SER  31           1HB      SER  31  21.479 -13.490  12.113
  224    HG   SER  31           HG       SER  31  21.590 -12.807   9.556
  225    H    TYR  32           H        TYR  32  21.233 -11.143  14.751
  226    HA   TYR  32           HA       TYR  32  22.531  -9.924  16.185
  227    HB2  TYR  32           2HB      TYR  32  24.897 -10.444  16.059
  228    HB3  TYR  32           1HB      TYR  32  23.959 -11.878  15.653
  229    HD1  TYR  32           2HD      TYR  32  26.145  -9.238  14.320
  230    HD2  TYR  32           1HD      TYR  32  24.053 -12.838  13.449
  231    HE1  TYR  32           2HE      TYR  32  27.402  -9.453  12.218
  232    HE2  TYR  32           1HE      TYR  32  25.303 -13.064  11.345
  233    HH   TYR  32           HH       TYR  32  27.368 -12.317  10.340
  Start of MODEL    8
    1    H1   SER   1           1HT      SER   1 -20.605  -2.514  -8.457
    2    H2   SER   1           2HT      SER   1 -20.151  -4.117  -8.039
    3    H3   SER   1           3HT      SER   1 -20.788  -3.780  -9.597
    4    HA   SER   1           HA       SER   1 -18.378  -4.109  -9.525
    5    HB2  SER   1           2HB      SER   1 -17.977  -2.306 -11.074
    6    HB3  SER   1           1HB      SER   1 -19.655  -2.814 -11.267
    7    HG   SER   1           HG       SER   1 -18.709  -0.565  -9.817
    8    H    VAL   2           H        VAL   2 -16.325  -3.138  -9.069
    9    HA   VAL   2           HA       VAL   2 -16.281  -1.827  -6.482
   10    HB   VAL   2           HB       VAL   2 -13.907  -2.647  -8.153
   11   HG11  VAL   2          1HG1      VAL   2 -14.296  -1.963  -5.253
   12   HG12  VAL   2          2HG1      VAL   2 -13.217  -1.203  -6.422
   13   HG13  VAL   2          3HG1      VAL   2 -12.879  -2.834  -5.841
   14   HG21  VAL   2          3HG2      VAL   2 -13.935  -4.673  -6.584
   15   HG22  VAL   2          1HG2      VAL   2 -15.087  -4.654  -7.920
   16   HG23  VAL   2          2HG2      VAL   2 -15.622  -4.256  -6.288
   17    H    GLN   3           H        GLN   3 -14.889   0.035  -6.075
   18    HA   GLN   3           HA       GLN   3 -14.974   1.919  -8.324
   19    HB2  GLN   3           2HB      GLN   3 -14.693   2.626  -5.407
   20    HB3  GLN   3           1HB      GLN   3 -15.133   3.689  -6.735
   21    HG2  GLN   3           2HG      GLN   3 -17.076   1.751  -6.833
   22    HG3  GLN   3           1HG      GLN   3 -16.792   1.947  -5.104
   23   HE21  GLN   3          1HE2      GLN   3 -17.039   4.027  -7.974
   24   HE22  GLN   3          2HE2      GLN   3 -18.088   5.193  -7.249
   25    H    ILE   4           H        ILE   4 -13.268   3.861  -7.425
   26    HA   ILE   4           HA       ILE   4 -10.751   2.855  -8.204
   27    HB   ILE   4           HB       ILE   4  -9.921   5.125  -7.475
   28   HG12  ILE   4          2HG1      ILE   4 -12.714   6.078  -7.281
   29   HG13  ILE   4          1HG1      ILE   4 -12.110   5.188  -5.889
   30   HG21  ILE   4          1HG2      ILE   4 -11.932   4.526  -9.537
   31   HG22  ILE   4          2HG2      ILE   4 -10.315   5.213  -9.691
   32   HG23  ILE   4          3HG2      ILE   4 -11.666   6.236  -9.200
   33   HD11  ILE   4          3HD1      ILE   4 -11.768   7.877  -6.413
   34   HD12  ILE   4          1HD1      ILE   4 -10.205   7.157  -6.798
   35   HD13  ILE   4          2HD1      ILE   4 -10.915   6.922  -5.200
   36    H    LEU   5           H        LEU   5 -12.317   2.861  -5.186
   37    HA   LEU   5           HA       LEU   5  -9.917   2.963  -3.585
   38    HB2  LEU   5           2HB      LEU   5 -12.258   3.747  -2.895
   39    HB3  LEU   5           1HB      LEU   5 -12.631   2.050  -2.665
   40    HG   LEU   5           HG       LEU   5 -10.494   2.094  -1.138
   41   HD11  LEU   5          1HD1      LEU   5  -9.832   4.098  -0.260
   42   HD12  LEU   5          2HD1      LEU   5 -11.374   4.884  -0.602
   43   HD13  LEU   5          3HD1      LEU   5 -10.224   4.593  -1.907
   44   HD21  LEU   5          3HD2      LEU   5 -13.305   2.858  -0.607
   45   HD22  LEU   5          1HD2      LEU   5 -12.139   3.111   0.693
   46   HD23  LEU   5          2HD2      LEU   5 -12.362   1.500   0.008
   47    H    ARG   6           H        ARG   6  -9.264   1.096  -5.235
   48    HA   ARG   6           HA       ARG   6 -10.054  -1.510  -4.174
   49    HB2  ARG   6           2HB      ARG   6  -8.976  -0.524  -6.728
   50    HB3  ARG   6           1HB      ARG   6  -8.291  -2.052  -6.191
   51    HG2  ARG   6           2HG      ARG   6 -11.248  -1.556  -6.372
   52    HG3  ARG   6           1HG      ARG   6 -10.292  -2.212  -7.702
   53    HD2  ARG   6           2HD      ARG   6  -9.491  -3.896  -5.837
   54    HD3  ARG   6           1HD      ARG   6 -11.025  -3.443  -5.092
   55    HE   ARG   6           HE       ARG   6 -11.704  -4.052  -7.649
   56   HH11  ARG   6          1HH1      ARG   6  -9.969  -5.748  -5.139
   57   HH12  ARG   6          2HH1      ARG   6 -10.462  -7.316  -5.685
   58   HH21  ARG   6          1HH2      ARG   6 -12.355  -6.113  -8.367
   59   HH22  ARG   6          2HH2      ARG   6 -11.815  -7.523  -7.518
   60    H    CYS   7           H        CYS   7  -8.393   0.281  -2.606
   61    HA   CYS   7           HA       CYS   7  -5.903  -1.291  -2.514
   62    HB2  CYS   7           2HB      CYS   7  -6.402   1.584  -1.728
   63    HB3  CYS   7           1HB      CYS   7  -4.918   0.714  -1.357
   64    HA   PRO   8           HA       PRO   8  -8.344  -2.351   1.289
   65    HB2  PRO   8           2HB      PRO   8  -7.151  -4.841   1.468
   66    HB3  PRO   8           1HB      PRO   8  -8.687  -4.505   0.670
   67    HG2  PRO   8           2HG      PRO   8  -5.972  -4.860  -0.505
   68    HG3  PRO   8           1HG      PRO   8  -7.548  -5.363  -1.143
   69    HD2  PRO   8           2HD      PRO   8  -6.219  -3.204  -2.083
   70    HD3  PRO   8           1HD      PRO   8  -7.990  -3.280  -2.028
   71    H    ASP   9           H        ASP   9  -7.181  -3.874   3.162
   72    HA   ASP   9           HA       ASP   9  -5.393  -2.132   4.435
   73    HB2  ASP   9           2HB      ASP   9  -6.905  -4.171   5.296
   74    HB3  ASP   9           1HB      ASP   9  -5.354  -5.001   5.213
   75    H    GLY  10           H        GLY  10  -3.447  -1.662   3.616
   76    HA2  GLY  10           2HA      GLY  10  -1.162  -2.878   3.803
   77    HA3  GLY  10           1HA      GLY  10  -1.823  -3.835   2.487
   78    H    MET  11           H        MET  11  -3.224  -1.391   1.435
   79    HA   MET  11           HA       MET  11  -0.899   0.107   0.444
   80    HB2  MET  11           2HB      MET  11  -2.053   0.092  -1.834
   81    HB3  MET  11           1HB      MET  11  -1.259  -1.394  -1.332
   82    HG2  MET  11           2HG      MET  11  -3.920  -1.531  -0.412
   83    HG3  MET  11           1HG      MET  11  -3.975  -0.965  -2.080
   84    HE1  MET  11           3HE      MET  11  -3.382  -2.467  -4.182
   85    HE2  MET  11           1HE      MET  11  -2.237  -3.802  -4.051
   86    HE3  MET  11           2HE      MET  11  -1.745  -2.171  -3.596
   87    H    GLN  12           H        GLN  12  -1.210   2.257   0.183
   88    HA   GLN  12           HA       GLN  12  -3.941   3.284   0.602
   89    HB2  GLN  12           2HB      GLN  12  -1.390   4.582   1.574
   90    HB3  GLN  12           1HB      GLN  12  -3.032   5.125   1.885
   91    HG2  GLN  12           2HG      GLN  12  -2.033   2.444   2.788
   92    HG3  GLN  12           1HG      GLN  12  -1.843   3.904   3.757
   93   HE21  GLN  12          1HE2      GLN  12  -3.677   1.264   3.415
   94   HE22  GLN  12          2HE2      GLN  12  -5.186   1.847   4.020
   95    H    MET  13           H        MET  13  -4.647   4.832  -0.764
   96    HA   MET  13           HA       MET  13  -3.032   5.407  -3.087
   97    HB2  MET  13           2HB      MET  13  -5.046   6.504  -3.952
   98    HB3  MET  13           1HB      MET  13  -5.406   4.891  -3.353
   99    HG2  MET  13           2HG      MET  13  -5.904   6.350  -1.143
  100    HG3  MET  13           1HG      MET  13  -6.316   7.518  -2.398
  101    HE1  MET  13           3HE      MET  13  -9.269   6.933  -3.771
  102    HE2  MET  13           1HE      MET  13  -8.251   7.963  -2.764
  103    HE3  MET  13           2HE      MET  13  -9.633   7.126  -2.056
  104    H    LEU  14           H        LEU  14  -2.394   7.452  -3.802
  105    HA   LEU  14           HA       LEU  14  -2.175   9.453  -1.659
  106    HB2  LEU  14           2HB      LEU  14  -0.562   9.415  -4.195
  107    HB3  LEU  14           1HB      LEU  14  -0.206  10.248  -2.695
  108    HG   LEU  14           HG       LEU  14  -0.131   7.257  -3.095
  109   HD11  LEU  14          1HD1      LEU  14   1.967   9.387  -3.101
  110   HD12  LEU  14          2HD1      LEU  14   1.748   8.029  -4.203
  111   HD13  LEU  14          3HD1      LEU  14   2.355   7.751  -2.572
  112   HD21  LEU  14          3HD2      LEU  14  -0.718   7.648  -0.843
  113   HD22  LEU  14          1HD2      LEU  14   0.396   9.008  -0.709
  114   HD23  LEU  14          2HD2      LEU  14   1.023   7.365  -0.843
  115    H    ARG  15           H        ARG  15  -1.946  11.769  -2.592
  116    HA   ARG  15           HA       ARG  15  -4.410  12.504  -3.702
  117    HB2  ARG  15           2HB      ARG  15  -1.853  14.116  -3.677
  118    HB3  ARG  15           1HB      ARG  15  -3.480  14.753  -3.869
  119    HG2  ARG  15           2HG      ARG  15  -2.834  13.170  -1.432
  120    HG3  ARG  15           1HG      ARG  15  -2.262  14.834  -1.555
  121    HD2  ARG  15           2HD      ARG  15  -4.409  14.752  -0.420
  122    HD3  ARG  15           1HD      ARG  15  -4.558  15.586  -1.965
  123    HE   ARG  15           HE       ARG  15  -6.026  13.975  -2.627
  124   HH11  ARG  15          1HH1      ARG  15  -4.135  12.710   0.018
  125   HH12  ARG  15          2HH1      ARG  15  -5.039  11.236   0.124
  126   HH21  ARG  15          1HH2      ARG  15  -7.216  12.038  -2.491
  127   HH22  ARG  15          2HH2      ARG  15  -6.788  10.855  -1.301
  128    H    SER  16           H        SER  16  -1.314  11.809  -5.180
  129    HA   SER  16           HA       SER  16  -1.782  12.923  -7.715
  130    HB2  SER  16           2HB      SER  16  -0.208  10.408  -7.567
  131    HB3  SER  16           1HB      SER  16   0.195  11.948  -8.324
  132    HG   SER  16           HG       SER  16   1.224  12.479  -6.581
  133    H    GLY  17           H        GLY  17  -2.668   9.820  -6.313
  134    HA2  GLY  17           2HA      GLY  17  -4.855   9.001  -7.268
  135    HA3  GLY  17           1HA      GLY  17  -4.065   9.153  -8.830
  136    H    GLN  18           H        GLN  18  -1.494   8.180  -7.806
  137    HA   GLN  18           HA       GLN  18  -1.898   5.412  -8.283
  138    HB2  GLN  18           2HB      GLN  18   0.495   7.012  -7.388
  139    HB3  GLN  18           1HB      GLN  18   0.561   5.268  -7.609
  140    HG2  GLN  18           2HG      GLN  18   1.368   6.130  -9.609
  141    HG3  GLN  18           1HG      GLN  18  -0.307   5.716  -9.968
  142   HE21  GLN  18          1HE2      GLN  18   0.505   7.308 -11.737
  143   HE22  GLN  18          2HE2      GLN  18   0.082   8.962 -11.472
  144    H    CYS  19           H        CYS  19  -0.949   3.717  -6.785
  145    HA   CYS  19           HA       CYS  19  -1.612   4.322  -3.980
  146    HB2  CYS  19           2HB      CYS  19  -3.208   2.801  -5.549
  147    HB3  CYS  19           1HB      CYS  19  -2.121   1.565  -4.924
  148    H    VAL  20           H        VAL  20   0.021   3.934  -2.647
  149    HA   VAL  20           HA       VAL  20   2.214   2.215  -3.559
  150    HB   VAL  20           HB       VAL  20   2.821   4.493  -2.875
  151   HG11  VAL  20          1HG1      VAL  20   1.775   3.679  -0.166
  152   HG12  VAL  20          2HG1      VAL  20   1.075   4.893  -1.236
  153   HG13  VAL  20          3HG1      VAL  20   2.664   5.161  -0.519
  154   HG21  VAL  20          3HG2      VAL  20   4.266   2.387  -2.460
  155   HG22  VAL  20          1HG2      VAL  20   3.907   2.677  -0.757
  156   HG23  VAL  20          2HG2      VAL  20   4.738   3.910  -1.706
  157    H    ALA  21           H        ALA  21   2.695   0.333  -2.596
  158    HA   ALA  21           HA       ALA  21   0.907  -0.661  -0.546
  159    HB1  ALA  21           1HB      ALA  21   2.892  -1.845  -2.400
  160    HB2  ALA  21           2HB      ALA  21   1.256  -2.370  -2.000
  161    HB3  ALA  21           3HB      ALA  21   2.584  -2.703  -0.890
  162    H    THR  22           H        THR  22   1.301  -0.540   1.557
  163    HA   THR  22           HA       THR  22   3.951   0.217   2.487
  164    HB   THR  22           HB       THR  22   1.709  -0.235   4.388
  165    HG1  THR  22           1HG      THR  22   1.758   1.793   2.422
  166   HG21  THR  22          3HG2      THR  22   3.797   1.900   4.070
  167   HG22  THR  22          1HG2      THR  22   3.696   0.664   5.324
  168   HG23  THR  22          2HG2      THR  22   2.498   1.957   5.262
  169    H    THR  23           H        THR  23   3.818  -2.401   1.462
  170    HA   THR  23           HA       THR  23   4.817  -3.859   3.725
  171    HB   THR  23           HB       THR  23   2.453  -4.335   4.003
  172    HG1  THR  23           1HG      THR  23   3.793  -6.540   2.830
  173   HG21  THR  23          3HG2      THR  23   1.005  -5.091   2.411
  174   HG22  THR  23          1HG2      THR  23   2.291  -5.738   1.390
  175   HG23  THR  23          2HG2      THR  23   2.004  -3.999   1.452
  176    H    GLU  24           H        GLU  24   5.772  -2.898   1.152
  177    HA   GLU  24           HA       GLU  24   6.020  -5.132  -0.616
  178    HB2  GLU  24           2HB      GLU  24   6.837  -2.334  -0.573
  179    HB3  GLU  24           1HB      GLU  24   8.073  -3.381  -1.258
  180    HG2  GLU  24           2HG      GLU  24   5.372  -3.916  -2.241
  181    HG3  GLU  24           1HG      GLU  24   5.980  -2.307  -2.624
  182    HA   PRO  25           HA       PRO  25  10.501  -5.447   1.070
  183    HB2  PRO  25           2HB      PRO  25  11.268  -3.857   3.114
  184    HB3  PRO  25           1HB      PRO  25  11.364  -3.340   1.427
  185    HG2  PRO  25           2HG      PRO  25   9.287  -2.706   3.486
  186    HG3  PRO  25           1HG      PRO  25  10.053  -1.631   2.302
  187    HD2  PRO  25           2HD      PRO  25   7.581  -2.709   1.948
  188    HD3  PRO  25           1HD      PRO  25   8.668  -2.315   0.600
  189    HA   PRO  26           HA       PRO  26   9.396  -8.124   4.420
  190    HB2  PRO  26           2HB      PRO  26  11.834  -9.057   5.137
  191    HB3  PRO  26           1HB      PRO  26  11.034  -9.541   3.637
  192    HG2  PRO  26           2HG      PRO  26  13.178  -7.497   4.065
  193    HG3  PRO  26           1HG      PRO  26  13.033  -8.714   2.783
  194    HD2  PRO  26           2HD      PRO  26  12.356  -6.112   2.422
  195    HD3  PRO  26           1HD      PRO  26  11.545  -7.443   1.572
  196    H    PHE  27           H        PHE  27  10.211  -8.662   6.745
  197    HA   PHE  27           HA       PHE  27  11.513  -6.553   8.177
  198    HB2  PHE  27           2HB      PHE  27   8.883  -6.032   7.689
  199    HB3  PHE  27           1HB      PHE  27   8.776  -6.882   9.227
  200    HD1  PHE  27           2HD      PHE  27  10.922  -6.050  10.818
  201    HD2  PHE  27           1HD      PHE  27   8.764  -3.765   7.948
  202    HE1  PHE  27           2HE      PHE  27  11.539  -3.984  12.003
  203    HE2  PHE  27           1HE      PHE  27   9.378  -1.696   9.127
  204    HZ   PHE  27           HZ       PHE  27  10.768  -1.804  11.158
  205    H    ASP  28           H        ASP  28  11.802  -9.390   7.859
  206    HA   ASP  28           HA       ASP  28  10.883 -10.607  10.315
  207    HB2  ASP  28           2HB      ASP  28  11.587 -11.585   7.817
  208    HB3  ASP  28           1HB      ASP  28  12.923 -12.089   8.848
  209    HA   PRO  29           HA       PRO  29  15.773 -10.584  11.006
  210    HB2  PRO  29           2HB      PRO  29  16.317  -8.086   9.481
  211    HB3  PRO  29           1HB      PRO  29  17.310  -9.537   9.656
  212    HG2  PRO  29           2HG      PRO  29  15.996  -9.057   7.391
  213    HG3  PRO  29           1HG      PRO  29  16.129 -10.703   8.036
  214    HD2  PRO  29           2HD      PRO  29  13.805  -8.827   8.087
  215    HD3  PRO  29           1HD      PRO  29  13.830 -10.590   7.882
  216    H    ASP  30           H        ASP  30  17.206  -8.553  11.921
  217    HA   ASP  30           HA       ASP  30  15.602  -6.446  13.036
  218    HB2  ASP  30           2HB      ASP  30  15.943  -7.067  15.391
  219    HB3  ASP  30           1HB      ASP  30  14.985  -8.276  14.540
  220    H    SER  31           H        SER  31  18.624  -8.272  13.278
  221    HA   SER  31           HA       SER  31  20.183  -5.911  12.839
  222    HB2  SER  31           2HB      SER  31  19.836  -6.983  15.586
  223    HB3  SER  31           1HB      SER  31  21.475  -6.540  15.112
  224    HG   SER  31           HG       SER  31  19.263  -4.811  14.752
  225    H    TYR  32           H        TYR  32  21.655  -6.634  11.464
  226    HA   TYR  32           HA       TYR  32  22.336  -9.325  11.097
  227    HB2  TYR  32           2HB      TYR  32  24.106  -8.505   9.626
  228    HB3  TYR  32           1HB      TYR  32  22.620  -7.601   9.359
  229    HD1  TYR  32           1HD      TYR  32  22.451  -5.260  10.008
  230    HD2  TYR  32           2HD      TYR  32  26.050  -7.444  10.616
  231    HE1  TYR  32           1HE      TYR  32  23.660  -3.152  10.374
  232    HE2  TYR  32           2HE      TYR  32  27.271  -5.341  10.985
  233    HH   TYR  32           HH       TYR  32  26.138  -2.679  11.827
  Start of MODEL    9
    1    H1   SER   1           1HT      SER   1 -23.200  -4.651  -5.048
    2    H2   SER   1           2HT      SER   1 -22.538  -4.775  -6.627
    3    H3   SER   1           3HT      SER   1 -23.055  -3.252  -6.029
    4    HA   SER   1           HA       SER   1 -21.338  -3.115  -4.528
    5    HB2  SER   1           2HB      SER   1 -19.735  -5.188  -4.445
    6    HB3  SER   1           1HB      SER   1 -21.236  -5.214  -3.519
    7    HG   SER   1           HG       SER   1 -21.023  -6.259  -6.142
    8    H    VAL   2           H        VAL   2 -20.871  -1.647  -6.254
    9    HA   VAL   2           HA       VAL   2 -19.261  -2.587  -8.476
   10    HB   VAL   2           HB       VAL   2 -19.968   0.261  -7.758
   11   HG11  VAL   2          1HG1      VAL   2 -18.712  -1.056 -10.126
   12   HG12  VAL   2          2HG1      VAL   2 -18.256   0.432  -9.293
   13   HG13  VAL   2          3HG1      VAL   2 -19.672   0.408 -10.345
   14   HG21  VAL   2          3HG2      VAL   2 -21.398  -1.059  -9.960
   15   HG22  VAL   2          1HG2      VAL   2 -21.988   0.058  -8.730
   16   HG23  VAL   2          2HG2      VAL   2 -21.795  -1.652  -8.348
   17    H    GLN   3           H        GLN   3 -17.114  -2.060  -8.853
   18    HA   GLN   3           HA       GLN   3 -15.563  -1.499  -6.459
   19    HB2  GLN   3           2HB      GLN   3 -13.620  -2.123  -7.858
   20    HB3  GLN   3           1HB      GLN   3 -14.854  -3.373  -7.818
   21    HG2  GLN   3           2HG      GLN   3 -15.518  -1.813 -10.015
   22    HG3  GLN   3           1HG      GLN   3 -13.760  -1.924 -10.061
   23   HE21  GLN   3          1HE2      GLN   3 -16.651  -3.925  -9.641
   24   HE22  GLN   3          2HE2      GLN   3 -16.030  -5.307 -10.471
   25    H    ILE   4           H        ILE   4 -15.534   0.636  -6.015
   26    HA   ILE   4           HA       ILE   4 -14.778   2.481  -8.181
   27    HB   ILE   4           HB       ILE   4 -16.936   2.999  -7.128
   28   HG12  ILE   4          2HG1      ILE   4 -16.473   5.363  -6.598
   29   HG13  ILE   4          1HG1      ILE   4 -14.757   4.992  -6.463
   30   HG21  ILE   4          1HG2      ILE   4 -17.299   3.030  -4.924
   31   HG22  ILE   4          2HG2      ILE   4 -15.827   3.946  -4.601
   32   HG23  ILE   4          3HG2      ILE   4 -15.752   2.194  -4.791
   33   HD11  ILE   4          3HD1      ILE   4 -16.315   4.510  -8.980
   34   HD12  ILE   4          1HD1      ILE   4 -14.564   4.576  -8.766
   35   HD13  ILE   4          2HD1      ILE   4 -15.526   6.048  -8.620
   36    H    LEU   5           H        LEU   5 -13.864   1.201  -5.096
   37    HA   LEU   5           HA       LEU   5 -11.536   2.996  -5.057
   38    HB2  LEU   5           2HB      LEU   5 -11.465   2.530  -2.587
   39    HB3  LEU   5           1HB      LEU   5 -12.815   3.507  -3.135
   40    HG   LEU   5           HG       LEU   5 -13.440   0.652  -3.046
   41   HD11  LEU   5          1HD1      LEU   5 -13.466   0.385  -0.677
   42   HD12  LEU   5          2HD1      LEU   5 -12.919   2.044  -0.428
   43   HD13  LEU   5          3HD1      LEU   5 -11.831   0.855  -1.146
   44   HD21  LEU   5          3HD2      LEU   5 -14.824   2.998  -3.079
   45   HD22  LEU   5          1HD2      LEU   5 -14.916   2.552  -1.375
   46   HD23  LEU   5          2HD2      LEU   5 -15.495   1.435  -2.611
   47    H    ARG   6           H        ARG   6 -10.660   1.333  -6.544
   48    HA   ARG   6           HA       ARG   6 -10.146  -1.308  -5.654
   49    HB2  ARG   6           2HB      ARG   6 -10.073  -0.236  -8.056
   50    HB3  ARG   6           1HB      ARG   6  -8.385   0.049  -7.656
   51    HG2  ARG   6           2HG      ARG   6  -8.223  -2.413  -7.126
   52    HG3  ARG   6           1HG      ARG   6  -9.818  -2.583  -7.860
   53    HD2  ARG   6           2HD      ARG   6  -7.375  -1.450  -9.219
   54    HD3  ARG   6           1HD      ARG   6  -8.007  -3.080  -9.445
   55    HE   ARG   6           HE       ARG   6 -10.124  -1.525 -10.060
   56   HH11  ARG   6          1HH1      ARG   6  -6.800  -1.529 -11.125
   57   HH12  ARG   6          2HH1      ARG   6  -7.172  -0.902 -12.695
   58   HH21  ARG   6          1HH2      ARG   6 -10.614  -0.700 -12.127
   59   HH22  ARG   6          2HH2      ARG   6  -9.337  -0.431 -13.264
   60    H    CYS   7           H        CYS   7  -9.418  -0.517  -3.452
   61    HA   CYS   7           HA       CYS   7  -6.546  -0.716  -3.338
   62    HB2  CYS   7           2HB      CYS   7  -7.720   1.852  -3.282
   63    HB3  CYS   7           1HB      CYS   7  -7.227   1.498  -1.630
   64    HA   PRO   8           HA       PRO   8  -8.847  -2.956   0.004
   65    HB2  PRO   8           2HB      PRO   8  -6.860  -4.883   0.175
   66    HB3  PRO   8           1HB      PRO   8  -8.327  -5.014  -0.791
   67    HG2  PRO   8           2HG      PRO   8  -5.565  -4.269  -1.621
   68    HG3  PRO   8           1HG      PRO   8  -6.786  -5.207  -2.497
   69    HD2  PRO   8           2HD      PRO   8  -6.234  -2.637  -3.102
   70    HD3  PRO   8           1HD      PRO   8  -7.866  -3.316  -3.267
   71    H    ASP   9           H        ASP   9  -7.439  -4.193   1.924
   72    HA   ASP   9           HA       ASP   9  -6.498  -2.063   3.517
   73    HB2  ASP   9           2HB      ASP   9  -5.728  -3.941   5.056
   74    HB3  ASP   9           1HB      ASP   9  -7.443  -3.917   4.652
   75    H    GLY  10           H        GLY  10  -4.557  -1.147   3.673
   76    HA2  GLY  10           2HA      GLY  10  -2.181  -1.233   3.856
   77    HA3  GLY  10           1HA      GLY  10  -2.188  -2.678   2.855
   78    H    MET  11           H        MET  11  -4.164  -1.236   1.027
   79    HA   MET  11           HA       MET  11  -2.111   0.229  -0.474
   80    HB2  MET  11           2HB      MET  11  -4.709  -0.990  -1.426
   81    HB3  MET  11           1HB      MET  11  -3.536  -0.168  -2.446
   82    HG2  MET  11           2HG      MET  11  -1.883  -1.872  -1.967
   83    HG3  MET  11           1HG      MET  11  -3.006  -2.677  -0.872
   84    HE1  MET  11           3HE      MET  11  -2.611  -2.376  -5.218
   85    HE2  MET  11           1HE      MET  11  -2.848  -1.002  -4.138
   86    HE3  MET  11           2HE      MET  11  -4.221  -1.689  -5.007
   87    H    GLN  12           H        GLN  12  -2.198   2.360  -0.251
   88    HA   GLN  12           HA       GLN  12  -4.826   3.638   0.090
   89    HB2  GLN  12           2HB      GLN  12  -2.066   4.445   0.987
   90    HB3  GLN  12           1HB      GLN  12  -3.399   5.593   0.939
   91    HG2  GLN  12           2HG      GLN  12  -4.006   3.088   2.327
   92    HG3  GLN  12           1HG      GLN  12  -2.734   4.055   3.075
   93   HE21  GLN  12          1HE2      GLN  12  -3.453   6.565   2.786
   94   HE22  GLN  12          2HE2      GLN  12  -4.992   6.887   3.504
   95    H    MET  13           H        MET  13  -5.454   5.287  -1.238
   96    HA   MET  13           HA       MET  13  -4.330   5.399  -3.830
   97    HB2  MET  13           2HB      MET  13  -5.975   7.144  -4.271
   98    HB3  MET  13           1HB      MET  13  -6.713   5.815  -3.387
   99    HG2  MET  13           2HG      MET  13  -5.650   7.985  -1.720
  100    HG3  MET  13           1HG      MET  13  -7.003   8.424  -2.759
  101    HE1  MET  13           3HE      MET  13  -6.974   8.870  -0.041
  102    HE2  MET  13           1HE      MET  13  -7.268   7.585   1.133
  103    HE3  MET  13           2HE      MET  13  -8.627   8.425   0.385
  104    H    LEU  14           H        LEU  14  -3.344   7.173  -4.906
  105    HA   LEU  14           HA       LEU  14  -1.719   8.828  -3.103
  106    HB2  LEU  14           2HB      LEU  14  -1.285   8.146  -6.012
  107    HB3  LEU  14           1HB      LEU  14  -0.203   9.100  -5.016
  108    HG   LEU  14           HG       LEU  14  -0.875   6.312  -4.175
  109   HD11  LEU  14          1HD1      LEU  14  -0.175   5.604  -6.201
  110   HD12  LEU  14          2HD1      LEU  14   1.416   5.899  -5.501
  111   HD13  LEU  14          3HD1      LEU  14   0.679   7.104  -6.554
  112   HD21  LEU  14          3HD2      LEU  14   1.384   8.244  -3.785
  113   HD22  LEU  14          1HD2      LEU  14   1.584   6.520  -3.469
  114   HD23  LEU  14          2HD2      LEU  14   0.381   7.447  -2.572
  115    H    ARG  15           H        ARG  15  -1.119  11.016  -4.002
  116    HA   ARG  15           HA       ARG  15  -3.406  12.582  -4.338
  117    HB2  ARG  15           2HB      ARG  15  -0.489  13.021  -4.444
  118    HB3  ARG  15           1HB      ARG  15  -1.455  14.200  -5.322
  119    HG2  ARG  15           2HG      ARG  15  -0.997  14.931  -3.046
  120    HG3  ARG  15           1HG      ARG  15  -2.725  14.688  -3.308
  121    HD2  ARG  15           2HD      ARG  15  -2.476  13.632  -1.296
  122    HD3  ARG  15           1HD      ARG  15  -2.179  12.280  -2.389
  123    HE   ARG  15           HE       ARG  15   0.287  13.372  -1.951
  124   HH11  ARG  15          1HH1      ARG  15  -2.241  12.091   0.085
  125   HH12  ARG  15          2HH1      ARG  15  -1.149  11.552   1.316
  126   HH21  ARG  15          1HH2      ARG  15   1.725  12.662  -0.333
  127   HH22  ARG  15          2HH2      ARG  15   1.103  11.876   1.078
  128    H    SER  16           H        SER  16  -1.307  11.055  -6.675
  129    HA   SER  16           HA       SER  16  -2.330  12.498  -8.933
  130    HB2  SER  16           2HB      SER  16  -1.087   9.869  -9.429
  131    HB3  SER  16           1HB      SER  16  -0.699  11.448 -10.110
  132    HG   SER  16           HG       SER  16   0.235  10.234  -7.767
  133    H    GLY  17           H        GLY  17  -3.103   9.515  -7.276
  134    HA2  GLY  17           2HA      GLY  17  -5.573   9.000  -7.574
  135    HA3  GLY  17           1HA      GLY  17  -5.194   8.975  -9.289
  136    H    GLN  18           H        GLN  18  -2.540   7.710  -8.678
  137    HA   GLN  18           HA       GLN  18  -3.282   5.038  -9.077
  138    HB2  GLN  18           2HB      GLN  18  -0.721   6.436  -8.431
  139    HB3  GLN  18           1HB      GLN  18  -0.777   4.683  -8.321
  140    HG2  GLN  18           2HG      GLN  18  -1.488   6.291 -10.763
  141    HG3  GLN  18           1HG      GLN  18   0.051   5.475 -10.490
  142   HE21  GLN  18          1HE2      GLN  18   0.205   3.306 -10.801
  143   HE22  GLN  18          2HE2      GLN  18  -1.076   2.332 -11.431
  144    H    CYS  19           H        CYS  19  -2.402   3.218  -7.641
  145    HA   CYS  19           HA       CYS  19  -3.183   3.777  -4.856
  146    HB2  CYS  19           2HB      CYS  19  -3.915   1.641  -6.729
  147    HB3  CYS  19           1HB      CYS  19  -3.418   1.051  -5.147
  148    H    VAL  20           H        VAL  20  -1.444   3.883  -3.597
  149    HA   VAL  20           HA       VAL  20   0.871   2.189  -4.198
  150    HB   VAL  20           HB       VAL  20   1.306   4.592  -3.924
  151   HG11  VAL  20          1HG1      VAL  20  -0.359   5.312  -2.419
  152   HG12  VAL  20          2HG1      VAL  20   1.169   5.508  -1.561
  153   HG13  VAL  20          3HG1      VAL  20   0.121   4.135  -1.198
  154   HG21  VAL  20          3HG2      VAL  20   3.039   2.950  -3.347
  155   HG22  VAL  20          1HG2      VAL  20   2.465   2.942  -1.680
  156   HG23  VAL  20          2HG2      VAL  20   3.161   4.409  -2.365
  157    H    ALA  21           H        ALA  21   1.768   0.796  -2.691
  158    HA   ALA  21           HA       ALA  21  -0.044  -0.002  -0.533
  159    HB1  ALA  21           1HB      ALA  21   1.994  -1.423  -2.167
  160    HB2  ALA  21           2HB      ALA  21   0.358  -1.911  -1.725
  161    HB3  ALA  21           3HB      ALA  21   1.660  -2.014  -0.539
  162    H    THR  22           H        THR  22   0.484   0.179   1.561
  163    HA   THR  22           HA       THR  22   2.973   1.517   2.230
  164    HB   THR  22           HB       THR  22   1.803   1.281   4.611
  165    HG1  THR  22           1HG      THR  22   0.113  -0.041   3.694
  166   HG21  THR  22          3HG2      THR  22   1.129   3.429   4.434
  167   HG22  THR  22          1HG2      THR  22   0.363   3.180   2.866
  168   HG23  THR  22          2HG2      THR  22   2.115   3.346   2.975
  169    H    THR  23           H        THR  23   4.357  -0.298   1.737
  170    HA   THR  23           HA       THR  23   4.283  -2.422   3.776
  171    HB   THR  23           HB       THR  23   5.962  -2.654   1.317
  172    HG1  THR  23           1HG      THR  23   4.214  -3.361   0.134
  173   HG21  THR  23          3HG2      THR  23   4.239  -4.836   2.316
  174   HG22  THR  23          1HG2      THR  23   5.617  -4.368   3.313
  175   HG23  THR  23          2HG2      THR  23   5.870  -4.886   1.646
  176    H    GLU  24           H        GLU  24   5.273  -0.601   5.100
  177    HA   GLU  24           HA       GLU  24   7.816   0.414   4.657
  178    HB2  GLU  24           2HB      GLU  24   6.056   0.922   6.520
  179    HB3  GLU  24           1HB      GLU  24   6.922  -0.316   7.424
  180    HG2  GLU  24           2HG      GLU  24   9.023   1.018   6.963
  181    HG3  GLU  24           1HG      GLU  24   7.959   2.311   6.408
  182    HA   PRO  25           HA       PRO  25  10.523  -3.117   4.692
  183    HB2  PRO  25           2HB      PRO  25  12.318  -1.134   6.026
  184    HB3  PRO  25           1HB      PRO  25  12.655  -2.225   4.677
  185    HG2  PRO  25           2HG      PRO  25  12.203   0.370   4.259
  186    HG3  PRO  25           1HG      PRO  25  11.600  -0.860   3.135
  187    HD2  PRO  25           2HD      PRO  25  10.119   0.771   5.127
  188    HD3  PRO  25           1HD      PRO  25   9.569   0.099   3.581
  189    HA   PRO  26           HA       PRO  26  10.104  -4.585   8.868
  190    HB2  PRO  26           2HB      PRO  26  11.673  -6.775   8.731
  191    HB3  PRO  26           1HB      PRO  26  10.103  -6.690   7.926
  192    HG2  PRO  26           2HG      PRO  26  12.843  -6.306   6.781
  193    HG3  PRO  26           1HG      PRO  26  11.467  -7.203   6.112
  194    HD2  PRO  26           2HD      PRO  26  12.138  -4.690   5.311
  195    HD3  PRO  26           1HD      PRO  26  10.472  -5.302   5.287
  196    H    PHE  27           H        PHE  27  11.885  -5.796  10.453
  197    HA   PHE  27           HA       PHE  27  13.497  -3.704  11.406
  198    HB2  PHE  27           2HB      PHE  27  13.093  -6.561  12.077
  199    HB3  PHE  27           1HB      PHE  27  14.610  -5.847  12.612
  200    HD1  PHE  27           2HD      PHE  27  14.371  -3.530  13.830
  201    HD2  PHE  27           1HD      PHE  27  11.252  -6.400  13.442
  202    HE1  PHE  27           2HE      PHE  27  13.223  -2.540  15.768
  203    HE2  PHE  27           1HE      PHE  27  10.098  -5.415  15.379
  204    HZ   PHE  27           HZ       PHE  27  11.084  -3.482  16.544
  205    H    ASP  28           H        ASP  28  15.946  -4.402  11.987
  206    HA   ASP  28           HA       ASP  28  17.223  -4.851   9.376
  207    HB2  ASP  28           2HB      ASP  28  17.813  -3.063  11.661
  208    HB3  ASP  28           1HB      ASP  28  19.210  -3.796  10.876
  209    HA   PRO  29           HA       PRO  29  19.039  -8.582  10.886
  210    HB2  PRO  29           2HB      PRO  29  21.260  -8.721   9.342
  211    HB3  PRO  29           1HB      PRO  29  19.636  -9.004   8.703
  212    HG2  PRO  29           2HG      PRO  29  21.324  -6.536   8.558
  213    HG3  PRO  29           1HG      PRO  29  20.338  -7.293   7.293
  214    HD2  PRO  29           2HD      PRO  29  19.503  -5.137   8.713
  215    HD3  PRO  29           1HD      PRO  29  18.385  -6.365   8.087
  216    H    ASP  30           H        ASP  30  21.464  -9.389  11.371
  217    HA   ASP  30           HA       ASP  30  23.247  -7.474  12.477
  218    HB2  ASP  30           2HB      ASP  30  21.132  -7.828  14.113
  219    HB3  ASP  30           1HB      ASP  30  22.161  -9.145  14.670
  220    H    SER  31           H        SER  31  22.089 -10.809  12.625
  221    HA   SER  31           HA       SER  31  24.856 -11.736  12.887
  222    HB2  SER  31           2HB      SER  31  22.892 -12.525  14.420
  223    HB3  SER  31           1HB      SER  31  22.475 -13.554  13.051
  224    HG   SER  31           HG       SER  31  25.076 -13.481  14.160
  225    H    TYR  32           H        TYR  32  21.998 -11.971  10.859
  226    HA   TYR  32           HA       TYR  32  23.467 -13.620   8.938
  227    HB2  TYR  32           2HB      TYR  32  21.275 -13.939   7.844
  228    HB3  TYR  32           1HB      TYR  32  21.253 -14.437   9.532
  229    HD1  TYR  32           1HD      TYR  32  20.060 -13.083  11.208
  230    HD2  TYR  32           2HD      TYR  32  19.945 -12.098   7.071
  231    HE1  TYR  32           1HE      TYR  32  18.124 -11.622  11.616
  232    HE2  TYR  32           2HE      TYR  32  18.010 -10.634   7.467
  233    HH   TYR  32           HH       TYR  32  16.057 -10.736   9.727
  Start of MODEL   10
    1    H1   SER   1           1HT      SER   1 -15.884   1.501 -15.336
    2    H2   SER   1           2HT      SER   1 -15.838   2.962 -16.233
    3    H3   SER   1           3HT      SER   1 -16.019   3.006 -14.526
    4    HA   SER   1           HA       SER   1 -13.675   1.944 -15.953
    5    HB2  SER   1           2HB      SER   1 -14.111   4.419 -16.227
    6    HB3  SER   1           1HB      SER   1 -13.967   4.570 -14.476
    7    HG   SER   1           HG       SER   1 -11.988   3.748 -16.327
    8    H    VAL   2           H        VAL   2 -13.189   0.258 -14.634
    9    HA   VAL   2           HA       VAL   2 -12.482  -0.880 -12.799
   10    HB   VAL   2           HB       VAL   2 -11.883   1.885 -11.750
   11   HG11  VAL   2          1HG1      VAL   2 -11.080  -0.850 -10.802
   12   HG12  VAL   2          2HG1      VAL   2 -11.823   0.459  -9.882
   13   HG13  VAL   2          3HG1      VAL   2 -10.143   0.590 -10.406
   14   HG21  VAL   2          3HG2      VAL   2  -9.680   1.612 -12.619
   15   HG22  VAL   2          1HG2      VAL   2 -10.814   1.268 -13.926
   16   HG23  VAL   2          2HG2      VAL   2 -10.010  -0.057 -13.085
   17    H    GLN   3           H        GLN   3 -13.004  -1.415 -10.568
   18    HA   GLN   3           HA       GLN   3 -15.744  -0.666  -9.939
   19    HB2  GLN   3           2HB      GLN   3 -14.031  -2.696  -8.508
   20    HB3  GLN   3           1HB      GLN   3 -15.784  -2.566  -8.493
   21    HG2  GLN   3           2HG      GLN   3 -15.785  -4.112 -10.079
   22    HG3  GLN   3           1HG      GLN   3 -15.191  -2.860 -11.167
   23   HE21  GLN   3          1HE2      GLN   3 -14.727  -5.755 -11.154
   24   HE22  GLN   3          2HE2      GLN   3 -13.013  -5.958 -11.089
   25    H    ILE   4           H        ILE   4 -15.898  -0.989  -7.251
   26    HA   ILE   4           HA       ILE   4 -13.988   0.892  -6.064
   27    HB   ILE   4           HB       ILE   4 -15.930   2.221  -6.786
   28   HG12  ILE   4          2HG1      ILE   4 -16.597   2.756  -4.180
   29   HG13  ILE   4          1HG1      ILE   4 -15.056   1.926  -3.994
   30   HG21  ILE   4          1HG2      ILE   4 -17.488   0.162  -6.387
   31   HG22  ILE   4          2HG2      ILE   4 -18.110   1.802  -6.189
   32   HG23  ILE   4          3HG2      ILE   4 -17.654   0.854  -4.773
   33   HD11  ILE   4          3HD1      ILE   4 -15.649   4.482  -5.429
   34   HD12  ILE   4          1HD1      ILE   4 -14.184   3.558  -5.759
   35   HD13  ILE   4          2HD1      ILE   4 -14.492   4.175  -4.136
   36    H    LEU   5           H        LEU   5 -13.666  -1.643  -5.516
   37    HA   LEU   5           HA       LEU   5 -15.195  -2.313  -3.117
   38    HB2  LEU   5           2HB      LEU   5 -13.525  -3.847  -5.042
   39    HB3  LEU   5           1HB      LEU   5 -13.623  -4.439  -3.395
   40    HG   LEU   5           HG       LEU   5 -15.252  -5.509  -4.921
   41   HD11  LEU   5          1HD1      LEU   5 -16.777  -5.728  -3.275
   42   HD12  LEU   5          2HD1      LEU   5 -16.984  -3.987  -3.085
   43   HD13  LEU   5          3HD1      LEU   5 -15.598  -4.794  -2.354
   44   HD21  LEU   5          3HD2      LEU   5 -17.268  -4.098  -5.520
   45   HD22  LEU   5          1HD2      LEU   5 -15.798  -3.794  -6.447
   46   HD23  LEU   5          2HD2      LEU   5 -16.270  -2.691  -5.155
   47    H    ARG   6           H        ARG   6 -13.218  -0.162  -3.139
   48    HA   ARG   6           HA       ARG   6 -11.542   0.664  -1.841
   49    HB2  ARG   6           2HB      ARG   6 -12.949  -0.115  -0.012
   50    HB3  ARG   6           1HB      ARG   6 -12.259  -1.727  -0.137
   51    HG2  ARG   6           2HG      ARG   6 -10.117  -0.928   0.599
   52    HG3  ARG   6           1HG      ARG   6 -10.690   0.741   0.575
   53    HD2  ARG   6           2HD      ARG   6 -12.154  -1.257   2.227
   54    HD3  ARG   6           1HD      ARG   6 -10.609  -0.644   2.813
   55    HE   ARG   6           HE       ARG   6 -12.204   1.526   2.033
   56   HH11  ARG   6          1HH1      ARG   6 -12.079  -0.938   4.502
   57   HH12  ARG   6          2HH1      ARG   6 -12.894   0.029   5.685
   58   HH21  ARG   6          1HH2      ARG   6 -13.275   2.799   3.587
   59   HH22  ARG   6          2HH2      ARG   6 -13.574   2.151   5.166
   60    H    CYS   7           H        CYS   7  -9.325   0.251  -1.024
   61    HA   CYS   7           HA       CYS   7  -7.980  -1.626  -2.786
   62    HB2  CYS   7           2HB      CYS   7  -7.082   0.666  -1.070
   63    HB3  CYS   7           1HB      CYS   7  -5.912  -0.487  -1.697
   64    HA   PRO   8           HA       PRO   8  -8.093  -4.542   0.718
   65    HB2  PRO   8           2HB      PRO   8  -6.764  -6.503  -0.742
   66    HB3  PRO   8           1HB      PRO   8  -8.513  -6.320  -0.621
   67    HG2  PRO   8           2HG      PRO   8  -6.654  -5.442  -2.778
   68    HG3  PRO   8           1HG      PRO   8  -8.309  -6.067  -2.905
   69    HD2  PRO   8           2HD      PRO   8  -7.754  -3.453  -3.182
   70    HD3  PRO   8           1HD      PRO   8  -9.254  -4.015  -2.415
   71    H    ASP   9           H        ASP   9  -6.127  -6.325   1.126
   72    HA   ASP   9           HA       ASP   9  -4.078  -4.797   2.290
   73    HB2  ASP   9           2HB      ASP   9  -2.938  -7.042   2.588
   74    HB3  ASP   9           1HB      ASP   9  -4.568  -6.921   3.247
   75    H    GLY  10           H        GLY  10  -2.386  -3.841   1.388
   76    HA2  GLY  10           2HA      GLY  10  -0.302  -4.231   0.124
   77    HA3  GLY  10           1HA      GLY  10  -1.295  -5.005  -1.101
   78    H    MET  11           H        MET  11  -3.391  -2.881  -0.714
   79    HA   MET  11           HA       MET  11  -2.007  -0.726  -2.173
   80    HB2  MET  11           2HB      MET  11  -4.608  -2.103  -2.676
   81    HB3  MET  11           1HB      MET  11  -4.469  -0.400  -3.094
   82    HG2  MET  11           2HG      MET  11  -2.943  -0.786  -4.756
   83    HG3  MET  11           1HG      MET  11  -2.367  -2.285  -4.028
   84    HE1  MET  11           3HE      MET  11  -3.841  -3.060  -7.632
   85    HE2  MET  11           1HE      MET  11  -2.607  -3.737  -6.568
   86    HE3  MET  11           2HE      MET  11  -2.634  -2.005  -6.895
   87    H    GLN  12           H        GLN  12  -2.239   1.300  -1.438
   88    HA   GLN  12           HA       GLN  12  -4.387   1.877   0.473
   89    HB2  GLN  12           2HB      GLN  12  -1.452   2.065   0.930
   90    HB3  GLN  12           1HB      GLN  12  -2.457   3.345   1.594
   91    HG2  GLN  12           2HG      GLN  12  -3.859   1.337   2.521
   92    HG3  GLN  12           1HG      GLN  12  -2.348   0.458   2.298
   93   HE21  GLN  12          1HE2      GLN  12  -2.535   0.235   4.652
   94   HE22  GLN  12          2HE2      GLN  12  -1.899   1.492   5.652
   95    H    MET  13           H        MET  13  -5.175   3.956   0.420
   96    HA   MET  13           HA       MET  13  -4.495   5.484  -1.947
   97    HB2  MET  13           2HB      MET  13  -6.869   4.985  -0.909
   98    HB3  MET  13           1HB      MET  13  -6.511   6.410   0.055
   99    HG2  MET  13           2HG      MET  13  -6.268   7.750  -1.926
  100    HG3  MET  13           1HG      MET  13  -6.455   6.330  -2.953
  101    HE1  MET  13           3HE      MET  13  -8.948   6.628   0.266
  102    HE2  MET  13           1HE      MET  13  -9.732   8.109  -0.283
  103    HE3  MET  13           2HE      MET  13  -7.996   8.092   0.024
  104    H    LEU  14           H        LEU  14  -3.291   7.273  -1.996
  105    HA   LEU  14           HA       LEU  14  -2.119   8.227   0.484
  106    HB2  LEU  14           2HB      LEU  14  -1.560   9.322  -2.257
  107    HB3  LEU  14           1HB      LEU  14  -0.522   9.337  -0.843
  108    HG   LEU  14           HG       LEU  14  -1.254   6.887  -2.448
  109   HD11  LEU  14          1HD1      LEU  14   0.442   8.808  -3.245
  110   HD12  LEU  14          2HD1      LEU  14   0.675   7.096  -3.602
  111   HD13  LEU  14          3HD1      LEU  14   1.531   7.840  -2.251
  112   HD21  LEU  14          3HD2      LEU  14  -0.805   5.915  -0.457
  113   HD22  LEU  14          1HD2      LEU  14   0.117   7.297   0.135
  114   HD23  LEU  14          2HD2      LEU  14   0.862   6.153  -0.981
  115    H    ARG  15           H        ARG  15  -1.702  10.758   0.407
  116    HA   ARG  15           HA       ARG  15  -4.163  11.987   0.936
  117    HB2  ARG  15           2HB      ARG  15  -2.846  14.102   1.013
  118    HB3  ARG  15           1HB      ARG  15  -2.158  12.805   1.980
  119    HG2  ARG  15           2HG      ARG  15  -0.508  12.362   0.263
  120    HG3  ARG  15           1HG      ARG  15  -1.226  13.600  -0.770
  121    HD2  ARG  15           2HD      ARG  15   0.785  14.397   0.408
  122    HD3  ARG  15           1HD      ARG  15  -0.658  15.319   0.827
  123    HE   ARG  15           HE       ARG  15  -0.347  13.261   2.697
  124   HH11  ARG  15          1HH1      ARG  15   1.241  16.209   1.714
  125   HH12  ARG  15          2HH1      ARG  15   1.900  16.524   3.284
  126   HH21  ARG  15          1HH2      ARG  15   0.517  13.675   4.763
  127   HH22  ARG  15          2HH2      ARG  15   1.489  15.086   5.015
  128    H    SER  16           H        SER  16  -2.253  11.785  -1.977
  129    HA   SER  16           HA       SER  16  -3.507  13.884  -3.403
  130    HB2  SER  16           2HB      SER  16  -2.494  11.544  -4.923
  131    HB3  SER  16           1HB      SER  16  -2.173  13.264  -5.151
  132    HG   SER  16           HG       SER  16  -0.757  13.176  -3.384
  133    H    GLY  17           H        GLY  17  -4.268  10.487  -2.945
  134    HA2  GLY  17           2HA      GLY  17  -6.729  10.049  -3.017
  135    HA3  GLY  17           1HA      GLY  17  -6.712  10.889  -4.561
  136    H    GLN  18           H        GLN  18  -4.115   9.637  -5.287
  137    HA   GLN  18           HA       GLN  18  -5.176   7.351  -6.608
  138    HB2  GLN  18           2HB      GLN  18  -2.266   8.107  -6.316
  139    HB3  GLN  18           1HB      GLN  18  -2.980   7.089  -7.560
  140    HG2  GLN  18           2HG      GLN  18  -4.159   9.753  -7.416
  141    HG3  GLN  18           1HG      GLN  18  -2.436   9.755  -7.795
  142   HE21  GLN  18          1HE2      GLN  18  -1.771   8.248  -9.546
  143   HE22  GLN  18          2HE2      GLN  18  -2.826   8.084 -10.904
  144    H    CYS  19           H        CYS  19  -4.758   5.178  -6.292
  145    HA   CYS  19           HA       CYS  19  -3.885   4.481  -3.584
  146    HB2  CYS  19           2HB      CYS  19  -6.085   3.683  -5.013
  147    HB3  CYS  19           1HB      CYS  19  -4.981   2.336  -5.269
  148    H    VAL  20           H        VAL  20  -1.765   4.100  -3.473
  149    HA   VAL  20           HA       VAL  20  -0.442   2.696  -5.680
  150    HB   VAL  20           HB       VAL  20   0.588   4.800  -4.924
  151   HG11  VAL  20          1HG1      VAL  20   1.035   5.310  -2.790
  152   HG12  VAL  20          2HG1      VAL  20   1.647   3.694  -2.429
  153   HG13  VAL  20          3HG1      VAL  20  -0.088   4.006  -2.404
  154   HG21  VAL  20          3HG2      VAL  20   2.400   2.541  -4.131
  155   HG22  VAL  20          1HG2      VAL  20   2.807   4.044  -4.959
  156   HG23  VAL  20          2HG2      VAL  20   1.899   2.790  -5.803
  157    H    ALA  21           H        ALA  21   1.084   0.982  -5.191
  158    HA   ALA  21           HA       ALA  21   0.028  -0.803  -3.158
  159    HB1  ALA  21           1HB      ALA  21   1.302  -2.527  -4.229
  160    HB2  ALA  21           2HB      ALA  21   2.214  -1.340  -5.163
  161    HB3  ALA  21           3HB      ALA  21   0.496  -1.579  -5.479
  162    H    THR  22           H        THR  22   1.267  -1.773  -1.526
  163    HA   THR  22           HA       THR  22   3.060  -0.098  -0.180
  164    HB   THR  22           HB       THR  22   3.141  -3.042   0.305
  165    HG1  THR  22           1HG      THR  22   0.880  -1.387   0.698
  166   HG21  THR  22          3HG2      THR  22   2.937  -2.370   2.637
  167   HG22  THR  22          1HG2      THR  22   2.825  -0.681   2.143
  168   HG23  THR  22          2HG2      THR  22   4.310  -1.589   1.852
  169    H    THR  23           H        THR  23   4.702   0.502  -1.629
  170    HA   THR  23           HA       THR  23   6.526  -1.612  -2.517
  171    HB   THR  23           HB       THR  23   7.590   0.594  -3.606
  172    HG1  THR  23           1HG      THR  23   5.905   1.876  -2.570
  173   HG21  THR  23          3HG2      THR  23   6.714  -0.030  -5.610
  174   HG22  THR  23          1HG2      THR  23   5.109  -0.333  -4.942
  175   HG23  THR  23          2HG2      THR  23   6.410  -1.494  -4.673
  176    H    GLU  24           H        GLU  24   6.368  -0.826   0.273
  177    HA   GLU  24           HA       GLU  24   8.571   0.858   0.918
  178    HB2  GLU  24           2HB      GLU  24   6.742  -0.944   2.434
  179    HB3  GLU  24           1HB      GLU  24   8.248  -0.459   3.202
  180    HG2  GLU  24           2HG      GLU  24   7.344   1.928   2.308
  181    HG3  GLU  24           1HG      GLU  24   5.826   1.095   2.639
  182    HA   PRO  25           HA       PRO  25  11.847  -2.088   0.454
  183    HB2  PRO  25           2HB      PRO  25  13.775  -0.870   1.881
  184    HB3  PRO  25           1HB      PRO  25  13.205  -0.225   0.337
  185    HG2  PRO  25           2HG      PRO  25  12.487   0.611   3.122
  186    HG3  PRO  25           1HG      PRO  25  12.850   1.620   1.709
  187    HD2  PRO  25           2HD      PRO  25  10.313   1.076   2.555
  188    HD3  PRO  25           1HD      PRO  25  10.726   1.414   0.863
  189    HA   PRO  26           HA       PRO  26  11.148  -4.345   4.344
  190    HB2  PRO  26           2HB      PRO  26  11.680  -6.799   3.357
  191    HB3  PRO  26           1HB      PRO  26  10.135  -5.986   3.076
  192    HG2  PRO  26           2HG      PRO  26  12.511  -6.216   1.269
  193    HG3  PRO  26           1HG      PRO  26  10.790  -6.394   0.881
  194    HD2  PRO  26           2HD      PRO  26  12.197  -4.118   0.389
  195    HD3  PRO  26           1HD      PRO  26  10.459  -4.125   0.745
  196    H    PHE  27           H        PHE  27  12.580  -4.877   5.908
  197    HA   PHE  27           HA       PHE  27  15.077  -6.093   5.504
  198    HB2  PHE  27           2HB      PHE  27  15.220  -3.507   4.686
  199    HB3  PHE  27           1HB      PHE  27  15.659  -3.332   6.382
  200    HD1  PHE  27           2HD      PHE  27  17.469  -5.027   7.238
  201    HD2  PHE  27           1HD      PHE  27  16.867  -3.988   3.156
  202    HE1  PHE  27           2HE      PHE  27  19.765  -5.745   6.722
  203    HE2  PHE  27           1HE      PHE  27  19.160  -4.704   2.630
  204    HZ   PHE  27           HZ       PHE  27  20.613  -5.585   4.415
  205    H    ASP  28           H        ASP  28  12.925  -6.427   7.250
  206    HA   ASP  28           HA       ASP  28  13.399  -5.272   9.799
  207    HB2  ASP  28           2HB      ASP  28  11.593  -7.265   8.649
  208    HB3  ASP  28           1HB      ASP  28  12.064  -7.640  10.305
  209    HA   PRO  29           HA       PRO  29  15.410  -9.698  10.715
  210    HB2  PRO  29           2HB      PRO  29  16.476 -10.129   7.968
  211    HB3  PRO  29           1HB      PRO  29  15.870 -11.307   9.139
  212    HG2  PRO  29           2HG      PRO  29  14.399 -10.605   7.033
  213    HG3  PRO  29           1HG      PRO  29  13.651 -10.882   8.617
  214    HD2  PRO  29           2HD      PRO  29  14.246  -8.310   7.222
  215    HD3  PRO  29           1HD      PRO  29  12.870  -8.744   8.257
  216    H    ASP  30           H        ASP  30  17.673 -10.065  11.113
  217    HA   ASP  30           HA       ASP  30  19.755  -8.639   9.891
  218    HB2  ASP  30           2HB      ASP  30  18.253  -6.906  11.347
  219    HB3  ASP  30           1HB      ASP  30  19.421  -7.423  12.560
  220    H    SER  31           H        SER  31  18.998  -9.209  13.315
  221    HA   SER  31           HA       SER  31  20.387 -11.621  13.573
  222    HB2  SER  31           2HB      SER  31  22.298 -10.408  15.022
  223    HB3  SER  31           1HB      SER  31  22.501 -10.795  13.314
  224    HG   SER  31           HG       SER  31  21.439  -8.326  14.191
  225    H    TYR  32           H        TYR  32  19.520  -8.578  15.120
  226    HA   TYR  32           HA       TYR  32  18.353 -10.085  17.329
  227    HB2  TYR  32           2HB      TYR  32  20.806  -8.925  17.667
  228    HB3  TYR  32           1HB      TYR  32  19.732  -7.639  18.207
  229    HD1  TYR  32           2HD      TYR  32  20.603 -11.205  18.752
  230    HD2  TYR  32           1HD      TYR  32  18.716  -7.734  20.329
  231    HE1  TYR  32           2HE      TYR  32  20.369 -12.328  20.928
  232    HE2  TYR  32           1HE      TYR  32  18.478  -8.845  22.509
  233    HH   TYR  32           HH       TYR  32  18.367 -11.556  23.190
  Start of MODEL   11
    1    H1   SER   1           1HT      SER   1 -18.678   0.172 -10.024
    2    H2   SER   1           2HT      SER   1 -18.815  -1.152 -11.107
    3    H3   SER   1           3HT      SER   1 -19.101   0.447 -11.661
    4    HA   SER   1           HA       SER   1 -17.010  -0.156 -12.419
    5    HB2  SER   1           2HB      SER   1 -17.517   2.059 -10.961
    6    HB3  SER   1           1HB      SER   1 -16.192   1.381 -10.014
    7    HG   SER   1           HG       SER   1 -14.923   1.382 -11.890
    8    H    VAL   2           H        VAL   2 -14.896  -0.992 -12.068
    9    HA   VAL   2           HA       VAL   2 -14.837  -3.086 -10.057
   10    HB   VAL   2           HB       VAL   2 -12.759  -2.476 -12.160
   11   HG11  VAL   2          1HG1      VAL   2 -12.533  -5.082 -11.791
   12   HG12  VAL   2          2HG1      VAL   2 -13.200  -4.675 -10.211
   13   HG13  VAL   2          3HG1      VAL   2 -11.698  -3.928 -10.753
   14   HG21  VAL   2          3HG2      VAL   2 -13.848  -4.282 -13.469
   15   HG22  VAL   2          1HG2      VAL   2 -14.857  -2.848 -13.280
   16   HG23  VAL   2          2HG2      VAL   2 -15.171  -4.281 -12.301
   17    H    GLN   3           H        GLN   3 -14.756  -0.878  -8.643
   18    HA   GLN   3           HA       GLN   3 -12.300   0.404  -8.260
   19    HB2  GLN   3           2HB      GLN   3 -13.219   0.853  -5.924
   20    HB3  GLN   3           1HB      GLN   3 -14.185   1.418  -7.279
   21    HG2  GLN   3           2HG      GLN   3 -15.901   0.082  -6.772
   22    HG3  GLN   3           1HG      GLN   3 -14.853  -1.284  -6.393
   23   HE21  GLN   3          1HE2      GLN   3 -15.249   1.973  -5.037
   24   HE22  GLN   3          2HE2      GLN   3 -15.490   1.451  -3.408
   25    H    ILE   4           H        ILE   4 -11.312   0.235  -5.859
   26    HA   ILE   4           HA       ILE   4 -11.040  -2.362  -4.759
   27    HB   ILE   4           HB       ILE   4  -9.769  -2.756  -6.828
   28   HG12  ILE   4          2HG1      ILE   4  -7.439  -3.041  -5.401
   29   HG13  ILE   4          1HG1      ILE   4  -8.643  -2.942  -4.120
   30   HG21  ILE   4          1HG2      ILE   4  -7.389  -1.403  -6.512
   31   HG22  ILE   4          2HG2      ILE   4  -8.607  -0.185  -6.131
   32   HG23  ILE   4          3HG2      ILE   4  -8.654  -1.027  -7.681
   33   HD11  ILE   4          3HD1      ILE   4  -8.181  -5.245  -4.792
   34   HD12  ILE   4          1HD1      ILE   4  -8.717  -4.870  -6.429
   35   HD13  ILE   4          2HD1      ILE   4  -9.860  -4.796  -5.088
   36    H    LEU   5           H        LEU   5 -11.641  -0.348  -3.314
   37    HA   LEU   5           HA       LEU   5  -9.665   1.420  -2.439
   38    HB2  LEU   5           2HB      LEU   5 -11.068   1.347  -0.241
   39    HB3  LEU   5           1HB      LEU   5 -11.746   2.036  -1.703
   40    HG   LEU   5           HG       LEU   5 -13.069   0.065  -2.102
   41   HD11  LEU   5          1HD1      LEU   5 -12.992  -1.658  -0.099
   42   HD12  LEU   5          2HD1      LEU   5 -11.322  -1.100  -0.001
   43   HD13  LEU   5          3HD1      LEU   5 -11.928  -1.813  -1.497
   44   HD21  LEU   5          3HD2      LEU   5 -13.185   1.075   0.730
   45   HD22  LEU   5          1HD2      LEU   5 -14.410   0.020   0.027
   46   HD23  LEU   5          2HD2      LEU   5 -14.126   1.619  -0.659
   47    H    ARG   6           H        ARG   6 -10.014  -1.948  -1.866
   48    HA   ARG   6           HA       ARG   6  -8.606  -2.080   0.606
   49    HB2  ARG   6           2HB      ARG   6 -10.149  -3.850  -0.356
   50    HB3  ARG   6           1HB      ARG   6  -8.837  -4.280  -1.445
   51    HG2  ARG   6           2HG      ARG   6  -8.622  -5.802   0.287
   52    HG3  ARG   6           1HG      ARG   6  -7.434  -4.559   0.691
   53    HD2  ARG   6           2HD      ARG   6  -8.736  -3.695   2.409
   54    HD3  ARG   6           1HD      ARG   6 -10.222  -4.399   1.770
   55    HE   ARG   6           HE       ARG   6  -8.726  -6.565   2.409
   56   HH11  ARG   6          1HH1      ARG   6  -9.699  -3.718   4.179
   57   HH12  ARG   6          2HH1      ARG   6  -9.710  -4.524   5.712
   58   HH21  ARG   6          1HH2      ARG   6  -8.738  -7.624   4.423
   59   HH22  ARG   6          2HH2      ARG   6  -9.163  -6.741   5.851
   60    H    CYS   7           H        CYS   7  -6.601  -1.272   0.713
   61    HA   CYS   7           HA       CYS   7  -4.679  -2.077  -1.371
   62    HB2  CYS   7           2HB      CYS   7  -5.343   0.494  -0.507
   63    HB3  CYS   7           1HB      CYS   7  -3.799   0.154   0.267
   64    HA   PRO   8           HA       PRO   8  -3.456  -4.446   2.414
   65    HB2  PRO   8           2HB      PRO   8  -1.940  -5.815   0.249
   66    HB3  PRO   8           1HB      PRO   8  -2.889  -6.507   1.569
   67    HG2  PRO   8           2HG      PRO   8  -3.838  -6.491  -0.917
   68    HG3  PRO   8           1HG      PRO   8  -4.905  -6.188   0.468
   69    HD2  PRO   8           2HD      PRO   8  -3.760  -4.259  -1.504
   70    HD3  PRO   8           1HD      PRO   8  -5.355  -4.264  -0.724
   71    H    ASP   9           H        ASP   9  -1.092  -5.241   2.919
   72    HA   ASP   9           HA       ASP   9   0.519  -3.010   3.262
   73    HB2  ASP   9           2HB      ASP   9   2.355  -4.696   3.732
   74    HB3  ASP   9           1HB      ASP   9   0.879  -4.889   4.674
   75    H    GLY  10           H        GLY  10   2.241  -2.127   2.188
   76    HA2  GLY  10           2HA      GLY  10   3.957  -2.106   0.545
   77    HA3  GLY  10           1HA      GLY  10   3.116  -3.391  -0.310
   78    H    MET  11           H        MET  11   0.527  -1.907   0.014
   79    HA   MET  11           HA       MET  11   0.997   0.345  -1.807
   80    HB2  MET  11           2HB      MET  11   0.183  -2.017  -2.810
   81    HB3  MET  11           1HB      MET  11  -1.378  -1.339  -2.370
   82    HG2  MET  11           2HG      MET  11  -0.864   0.657  -3.709
   83    HG3  MET  11           1HG      MET  11   0.661  -0.081  -4.189
   84    HE1  MET  11           3HE      MET  11   0.934  -0.649  -6.219
   85    HE2  MET  11           1HE      MET  11  -0.370   0.129  -7.116
   86    HE3  MET  11           2HE      MET  11  -0.077  -1.600  -7.306
   87    H    GLN  12           H        GLN  12  -0.036   2.115  -1.165
   88    HA   GLN  12           HA       GLN  12  -2.543   1.847   0.334
   89    HB2  GLN  12           2HB      GLN  12  -0.100   3.391   1.187
   90    HB3  GLN  12           1HB      GLN  12  -1.704   3.762   1.805
   91    HG2  GLN  12           2HG      GLN  12  -0.882   0.940   1.972
   92    HG3  GLN  12           1HG      GLN  12   0.006   2.071   2.993
   93   HE21  GLN  12          1HE2      GLN  12  -3.301   1.187   2.074
   94   HE22  GLN  12          2HE2      GLN  12  -3.991   1.453   3.635
   95    H    MET  13           H        MET  13  -3.390   4.248   0.732
   96    HA   MET  13           HA       MET  13  -3.761   5.337  -1.907
   97    HB2  MET  13           2HB      MET  13  -4.846   6.176   0.785
   98    HB3  MET  13           1HB      MET  13  -5.302   6.922  -0.741
   99    HG2  MET  13           2HG      MET  13  -5.723   4.033  -0.014
  100    HG3  MET  13           1HG      MET  13  -6.952   5.295   0.029
  101    HE1  MET  13           3HE      MET  13  -8.140   3.069  -1.720
  102    HE2  MET  13           1HE      MET  13  -8.581   4.122  -3.064
  103    HE3  MET  13           2HE      MET  13  -8.670   4.723  -1.408
  104    H    LEU  14           H        LEU  14  -3.004   7.236  -2.719
  105    HA   LEU  14           HA       LEU  14  -0.974   8.609  -1.098
  106    HB2  LEU  14           2HB      LEU  14   0.063   9.309  -3.122
  107    HB3  LEU  14           1HB      LEU  14  -0.265   7.593  -3.258
  108    HG   LEU  14           HG       LEU  14  -2.274   9.480  -4.383
  109   HD11  LEU  14          1HD1      LEU  14  -0.864   9.287  -6.552
  110   HD12  LEU  14          2HD1      LEU  14   0.487   9.058  -5.441
  111   HD13  LEU  14          3HD1      LEU  14  -0.474  10.535  -5.368
  112   HD21  LEU  14          3HD2      LEU  14  -3.060   7.587  -5.219
  113   HD22  LEU  14          1HD2      LEU  14  -1.761   6.699  -4.421
  114   HD23  LEU  14          2HD2      LEU  14  -1.538   7.303  -6.064
  115    H    ARG  15           H        ARG  15  -0.703  10.999  -2.172
  116    HA   ARG  15           HA       ARG  15  -2.818  12.500  -1.140
  117    HB2  ARG  15           2HB      ARG  15  -0.816  13.438  -3.196
  118    HB3  ARG  15           1HB      ARG  15  -1.711  14.437  -2.059
  119    HG2  ARG  15           2HG      ARG  15  -0.082  12.327  -0.831
  120    HG3  ARG  15           1HG      ARG  15   0.826  13.575  -1.686
  121    HD2  ARG  15           2HD      ARG  15  -0.671  15.229  -0.385
  122    HD3  ARG  15           1HD      ARG  15  -1.016  13.852   0.661
  123    HE   ARG  15           HE       ARG  15   1.790  14.299   0.238
  124   HH11  ARG  15          1HH1      ARG  15  -0.983  15.181   2.165
  125   HH12  ARG  15          2HH1      ARG  15  -0.035  15.679   3.526
  126   HH21  ARG  15          1HH2      ARG  15   3.038  14.953   2.027
  127   HH22  ARG  15          2HH2      ARG  15   2.247  15.549   3.447
  128    H    SER  16           H        SER  16  -2.128  11.470  -4.436
  129    HA   SER  16           HA       SER  16  -4.106  13.028  -5.711
  130    HB2  SER  16           2HB      SER  16  -2.521  10.601  -6.450
  131    HB3  SER  16           1HB      SER  16  -3.894  11.060  -7.456
  132    HG   SER  16           HG       SER  16  -2.610  12.469  -8.313
  133    H    GLY  17           H        GLY  17  -4.199   9.941  -4.069
  134    HA2  GLY  17           2HA      GLY  17  -6.415   9.417  -3.080
  135    HA3  GLY  17           1HA      GLY  17  -7.092   9.790  -4.657
  136    H    GLN  18           H        GLN  18  -4.962   8.464  -6.127
  137    HA   GLN  18           HA       GLN  18  -6.081   5.903  -6.341
  138    HB2  GLN  18           2HB      GLN  18  -4.051   7.427  -7.660
  139    HB3  GLN  18           1HB      GLN  18  -3.419   5.819  -7.338
  140    HG2  GLN  18           2HG      GLN  18  -4.421   5.243  -9.237
  141    HG3  GLN  18           1HG      GLN  18  -5.912   5.265  -8.297
  142   HE21  GLN  18          1HE2      GLN  18  -4.714   6.170 -11.121
  143   HE22  GLN  18          2HE2      GLN  18  -5.626   7.607 -11.423
  144    H    CYS  19           H        CYS  19  -3.994   4.106  -6.480
  145    HA   CYS  19           HA       CYS  19  -3.069   3.945  -3.686
  146    HB2  CYS  19           2HB      CYS  19  -4.724   2.119  -5.193
  147    HB3  CYS  19           1HB      CYS  19  -3.239   1.320  -4.690
  148    H    VAL  20           H        VAL  20  -0.963   4.467  -3.846
  149    HA   VAL  20           HA       VAL  20   0.642   3.261  -5.985
  150    HB   VAL  20           HB       VAL  20   1.458   5.408  -4.022
  151   HG11  VAL  20          1HG1      VAL  20   2.753   4.231  -6.464
  152   HG12  VAL  20          2HG1      VAL  20   3.410   4.385  -4.834
  153   HG13  VAL  20          3HG1      VAL  20   3.197   5.819  -5.838
  154   HG21  VAL  20          3HG2      VAL  20   0.559   6.986  -5.329
  155   HG22  VAL  20          1HG2      VAL  20  -0.403   5.680  -6.023
  156   HG23  VAL  20          2HG2      VAL  20   1.092   6.189  -6.809
  157    H    ALA  21           H        ALA  21   2.745   2.357  -5.455
  158    HA   ALA  21           HA       ALA  21   2.589   0.513  -3.293
  159    HB1  ALA  21           1HB      ALA  21   4.503   1.092  -5.475
  160    HB2  ALA  21           2HB      ALA  21   3.783  -0.436  -4.972
  161    HB3  ALA  21           3HB      ALA  21   5.131   0.244  -4.061
  162    H    THR  22           H        THR  22   2.630   1.404  -1.293
  163    HA   THR  22           HA       THR  22   4.283   3.586  -0.548
  164    HB   THR  22           HB       THR  22   3.366   1.722   1.565
  165    HG1  THR  22           1HG      THR  22   1.611   2.975  -0.258
  166   HG21  THR  22          3HG2      THR  22   2.229   4.325   1.708
  167   HG22  THR  22          1HG2      THR  22   3.952   4.466   1.361
  168   HG23  THR  22          2HG2      THR  22   3.409   3.564   2.775
  169    H    THR  23           H        THR  23   6.434   3.307  -0.821
  170    HA   THR  23           HA       THR  23   7.689   0.889   0.262
  171    HB   THR  23           HB       THR  23   8.330   1.384  -2.007
  172    HG1  THR  23           1HG      THR  23  10.068   0.625  -0.946
  173   HG21  THR  23          3HG2      THR  23   8.480   3.431  -2.810
  174   HG22  THR  23          1HG2      THR  23   9.861   3.745  -1.760
  175   HG23  THR  23          2HG2      THR  23   8.227   4.095  -1.197
  176    H    GLU  24           H        GLU  24   6.657   3.020   1.964
  177    HA   GLU  24           HA       GLU  24   9.002   4.391   2.972
  178    HB2  GLU  24           2HB      GLU  24   6.112   4.644   3.268
  179    HB3  GLU  24           1HB      GLU  24   6.960   4.806   4.801
  180    HG2  GLU  24           2HG      GLU  24   8.178   6.314   2.618
  181    HG3  GLU  24           1HG      GLU  24   6.530   6.809   3.003
  182    HA   PRO  25           HA       PRO  25   8.250   1.617   6.784
  183    HB2  PRO  25           2HB      PRO  25   6.181  -0.097   6.862
  184    HB3  PRO  25           1HB      PRO  25   5.988   1.615   7.262
  185    HG2  PRO  25           2HG      PRO  25   5.333   0.179   4.718
  186    HG3  PRO  25           1HG      PRO  25   4.394   1.409   5.581
  187    HD2  PRO  25           2HD      PRO  25   5.961   1.948   3.406
  188    HD3  PRO  25           1HD      PRO  25   5.590   3.137   4.668
  189    HA   PRO  26           HA       PRO  26  10.346  -1.938   5.174
  190    HB2  PRO  26           2HB      PRO  26  10.660  -3.395   7.438
  191    HB3  PRO  26           1HB      PRO  26  11.584  -1.924   7.112
  192    HG2  PRO  26           2HG      PRO  26   9.152  -2.295   8.818
  193    HG3  PRO  26           1HG      PRO  26  10.621  -1.357   9.151
  194    HD2  PRO  26           2HD      PRO  26   8.320  -0.213   8.294
  195    HD3  PRO  26           1HD      PRO  26   9.922   0.429   7.876
  196    H    PHE  27           H        PHE  27  10.250  -4.484   5.576
  197    HA   PHE  27           HA       PHE  27   7.454  -5.231   5.131
  198    HB2  PHE  27           2HB      PHE  27   8.664  -7.397   4.272
  199    HB3  PHE  27           1HB      PHE  27   8.591  -5.963   3.260
  200    HD1  PHE  27           1HD      PHE  27  10.780  -7.480   5.873
  201    HD2  PHE  27           2HD      PHE  27  10.529  -5.282   2.238
  202    HE1  PHE  27           1HE      PHE  27  13.234  -7.489   5.703
  203    HE2  PHE  27           2HE      PHE  27  12.982  -5.288   2.060
  204    HZ   PHE  27           HZ       PHE  27  14.338  -6.394   3.793
  205    H    ASP  28           H        ASP  28   7.294  -7.806   5.639
  206    HA   ASP  28           HA       ASP  28   7.042  -8.017   8.395
  207    HB2  ASP  28           2HB      ASP  28   6.954  -9.915   6.118
  208    HB3  ASP  28           1HB      ASP  28   7.200 -10.621   7.712
  209    HA   PRO  29           HA       PRO  29  11.122 -10.552   8.617
  210    HB2  PRO  29           2HB      PRO  29  12.671 -10.746   6.407
  211    HB3  PRO  29           1HB      PRO  29  11.359 -11.878   6.750
  212    HG2  PRO  29           2HG      PRO  29  11.384  -9.509   4.920
  213    HG3  PRO  29           1HG      PRO  29  10.707 -11.126   4.649
  214    HD2  PRO  29           2HD      PRO  29   9.185  -8.992   5.358
  215    HD3  PRO  29           1HD      PRO  29   8.788 -10.657   5.829
  216    H    ASP  30           H        ASP  30  13.666 -10.034   7.990
  217    HA   ASP  30           HA       ASP  30  14.297  -7.350   7.396
  218    HB2  ASP  30           2HB      ASP  30  14.913  -6.539   9.620
  219    HB3  ASP  30           1HB      ASP  30  13.196  -6.927   9.557
  220    H    SER  31           H        SER  31  15.211 -10.221   9.232
  221    HA   SER  31           HA       SER  31  17.552 -10.695   7.779
  222    HB2  SER  31           2HB      SER  31  17.860  -8.990  10.209
  223    HB3  SER  31           1HB      SER  31  19.090 -10.216   9.893
  224    HG   SER  31           HG       SER  31  19.550  -8.162   8.928
  225    H    TYR  32           H        TYR  32  15.947 -10.992  10.901
  226    HA   TYR  32           HA       TYR  32  16.408 -13.871  10.817
  227    HB2  TYR  32           2HB      TYR  32  17.129 -13.953  13.151
  228    HB3  TYR  32           1HB      TYR  32  18.234 -12.969  12.197
  229    HD1  TYR  32           1HD      TYR  32  15.656 -12.926  14.806
  230    HD2  TYR  32           2HD      TYR  32  18.414 -10.586  12.567
  231    HE1  TYR  32           1HE      TYR  32  15.360 -11.071  16.392
  232    HE2  TYR  32           2HE      TYR  32  18.127  -8.723  14.148
  233    HH   TYR  32           HH       TYR  32  16.503  -9.091  17.146
  Start of MODEL   12
    1    H1   SER   1           1HT      SER   1 -17.688  -7.882  -3.905
    2    H2   SER   1           2HT      SER   1 -18.918  -6.696  -3.743
    3    H3   SER   1           3HT      SER   1 -17.463  -6.557  -2.842
    4    HA   SER   1           HA       SER   1 -16.213  -6.227  -4.806
    5    HB2  SER   1           2HB      SER   1 -18.768  -6.165  -6.386
    6    HB3  SER   1           1HB      SER   1 -17.116  -6.399  -6.955
    7    HG   SER   1           HG       SER   1 -17.192  -8.474  -6.392
    8    H    VAL   2           H        VAL   2 -16.350  -4.171  -6.196
    9    HA   VAL   2           HA       VAL   2 -16.466  -1.897  -6.185
   10    HB   VAL   2           HB       VAL   2 -19.320  -2.429  -5.354
   11   HG11  VAL   2          1HG1      VAL   2 -18.900  -0.126  -5.032
   12   HG12  VAL   2          2HG1      VAL   2 -19.704  -0.252  -6.598
   13   HG13  VAL   2          3HG1      VAL   2 -17.959  -0.013  -6.519
   14   HG21  VAL   2          3HG2      VAL   2 -17.886  -2.696  -7.922
   15   HG22  VAL   2          1HG2      VAL   2 -19.471  -1.926  -7.983
   16   HG23  VAL   2          2HG2      VAL   2 -19.306  -3.551  -7.318
   17    H    GLN   3           H        GLN   3 -15.019  -2.009  -4.266
   18    HA   GLN   3           HA       GLN   3 -16.289  -1.334  -1.729
   19    HB2  GLN   3           2HB      GLN   3 -13.333  -1.603  -2.254
   20    HB3  GLN   3           1HB      GLN   3 -14.170  -1.709  -0.712
   21    HG2  GLN   3           2HG      GLN   3 -15.304  -3.770  -1.581
   22    HG3  GLN   3           1HG      GLN   3 -14.218  -3.694  -2.969
   23   HE21  GLN   3          1HE2      GLN   3 -14.141  -5.924  -1.538
   24   HE22  GLN   3          2HE2      GLN   3 -12.714  -6.006  -0.568
   25    H    ILE   4           H        ILE   4 -14.415   0.281  -0.555
   26    HA   ILE   4           HA       ILE   4 -14.824   2.782  -2.025
   27    HB   ILE   4           HB       ILE   4 -13.896   2.487   0.829
   28   HG12  ILE   4          2HG1      ILE   4 -16.651   3.335   0.521
   29   HG13  ILE   4          1HG1      ILE   4 -16.403   1.745  -0.189
   30   HG21  ILE   4          1HG2      ILE   4 -14.639   4.737  -0.937
   31   HG22  ILE   4          2HG2      ILE   4 -13.470   4.664   0.381
   32   HG23  ILE   4          3HG2      ILE   4 -15.190   4.825   0.736
   33   HD11  ILE   4          3HD1      ILE   4 -16.383   2.587   2.616
   34   HD12  ILE   4          1HD1      ILE   4 -15.115   1.446   2.165
   35   HD13  ILE   4          2HD1      ILE   4 -16.809   1.036   1.893
   36    H    LEU   5           H        LEU   5 -12.730   0.921  -2.789
   37    HA   LEU   5           HA       LEU   5 -10.614   2.709  -3.179
   38    HB2  LEU   5           2HB      LEU   5  -8.893   1.406  -1.799
   39    HB3  LEU   5           1HB      LEU   5  -9.928   2.545  -0.960
   40    HG   LEU   5           HG       LEU   5 -11.378   0.268  -0.679
   41   HD11  LEU   5          1HD1      LEU   5 -10.093  -1.440  -1.377
   42   HD12  LEU   5          2HD1      LEU   5  -9.318  -1.242   0.195
   43   HD13  LEU   5          3HD1      LEU   5  -8.599  -0.512  -1.243
   44   HD21  LEU   5          3HD2      LEU   5 -10.988   0.575   1.524
   45   HD22  LEU   5          1HD2      LEU   5 -10.208   2.051   0.956
   46   HD23  LEU   5          2HD2      LEU   5  -9.237   0.625   1.319
   47    H    ARG   6           H        ARG   6 -10.478   2.003  -5.241
   48    HA   ARG   6           HA       ARG   6 -10.445  -0.794  -5.902
   49    HB2  ARG   6           2HB      ARG   6 -11.203   1.389  -7.280
   50    HB3  ARG   6           1HB      ARG   6  -9.568   1.210  -7.903
   51    HG2  ARG   6           2HG      ARG   6 -10.103  -0.579  -9.130
   52    HG3  ARG   6           1HG      ARG   6 -11.087  -1.285  -7.846
   53    HD2  ARG   6           2HD      ARG   6 -11.902   0.881  -9.778
   54    HD3  ARG   6           1HD      ARG   6 -12.494  -0.779  -9.734
   55    HE   ARG   6           HE       ARG   6 -13.033   0.325  -7.252
   56   HH11  ARG   6          1HH1      ARG   6 -13.939   0.902 -10.574
   57   HH12  ARG   6          2HH1      ARG   6 -15.494   1.546 -10.169
   58   HH21  ARG   6          1HH2      ARG   6 -15.079   1.174  -6.718
   59   HH22  ARG   6          2HH2      ARG   6 -16.141   1.703  -7.980
   60    H    CYS   7           H        CYS   7  -8.511  -0.872  -4.258
   61    HA   CYS   7           HA       CYS   7  -6.140  -1.257  -5.866
   62    HB2  CYS   7           2HB      CYS   7  -6.251   0.759  -3.630
   63    HB3  CYS   7           1HB      CYS   7  -4.740   0.012  -4.134
   64    HA   PRO   8           HA       PRO   8  -6.890  -4.612  -2.778
   65    HB2  PRO   8           2HB      PRO   8  -5.317  -6.370  -4.264
   66    HB3  PRO   8           1HB      PRO   8  -7.073  -6.237  -4.347
   67    HG2  PRO   8           2HG      PRO   8  -4.992  -5.087  -6.142
   68    HG3  PRO   8           1HG      PRO   8  -6.602  -5.713  -6.542
   69    HD2  PRO   8           2HD      PRO   8  -6.082  -3.077  -6.450
   70    HD3  PRO   8           1HD      PRO   8  -7.653  -3.737  -5.949
   71    H    ASP   9           H        ASP   9  -4.921  -6.413  -2.339
   72    HA   ASP   9           HA       ASP   9  -3.126  -5.036  -0.694
   73    HB2  ASP   9           2HB      ASP   9  -3.865  -7.622  -0.910
   74    HB3  ASP   9           1HB      ASP   9  -2.284  -7.701  -1.681
   75    H    GLY  10           H        GLY  10  -1.060  -4.322  -0.934
   76    HA2  GLY  10           2HA      GLY  10   1.028  -4.065  -1.966
   77    HA3  GLY  10           1HA      GLY  10   0.423  -4.948  -3.361
   78    H    MET  11           H        MET  11  -1.981  -2.888  -2.922
   79    HA   MET  11           HA       MET  11  -0.678  -0.629  -4.277
   80    HB2  MET  11           2HB      MET  11  -2.846  -2.377  -5.280
   81    HB3  MET  11           1HB      MET  11  -3.079  -0.650  -5.522
   82    HG2  MET  11           2HG      MET  11  -0.904  -0.532  -6.653
   83    HG3  MET  11           1HG      MET  11  -0.719  -2.273  -6.445
   84    HE1  MET  11           3HE      MET  11  -1.241  -1.837 -10.225
   85    HE2  MET  11           1HE      MET  11  -0.837  -3.231  -9.222
   86    HE3  MET  11           2HE      MET  11  -0.090  -1.667  -8.900
   87    H    GLN  12           H        GLN  12  -1.430   1.369  -3.742
   88    HA   GLN  12           HA       GLN  12  -3.925   1.674  -2.301
   89    HB2  GLN  12           2HB      GLN  12  -1.274   1.790  -0.991
   90    HB3  GLN  12           1HB      GLN  12  -2.383   3.095  -0.590
   91    HG2  GLN  12           2HG      GLN  12  -3.306   0.261  -0.454
   92    HG3  GLN  12           1HG      GLN  12  -2.339   0.943   0.851
   93   HE21  GLN  12          1HE2      GLN  12  -3.213   3.403   1.196
   94   HE22  GLN  12          2HE2      GLN  12  -4.896   3.443   1.580
   95    H    MET  13           H        MET  13  -4.717   3.777  -2.320
   96    HA   MET  13           HA       MET  13  -3.565   5.479  -4.351
   97    HB2  MET  13           2HB      MET  13  -6.134   5.366  -2.854
   98    HB3  MET  13           1HB      MET  13  -5.644   6.925  -3.503
   99    HG2  MET  13           2HG      MET  13  -5.250   5.393  -5.667
  100    HG3  MET  13           1HG      MET  13  -6.548   4.488  -4.890
  101    HE1  MET  13           3HE      MET  13  -9.088   5.327  -4.790
  102    HE2  MET  13           1HE      MET  13  -9.437   7.054  -4.706
  103    HE3  MET  13           2HE      MET  13  -8.361   6.314  -3.522
  104    H    LEU  14           H        LEU  14  -2.584   7.420  -4.070
  105    HA   LEU  14           HA       LEU  14  -1.917   8.152  -1.307
  106    HB2  LEU  14           2HB      LEU  14  -0.598   9.248  -3.774
  107    HB3  LEU  14           1HB      LEU  14   0.025   9.197  -2.135
  108    HG   LEU  14           HG       LEU  14  -0.308   6.849  -4.002
  109   HD11  LEU  14          1HD1      LEU  14   2.219   6.760  -3.555
  110   HD12  LEU  14          2HD1      LEU  14   2.039   8.429  -3.014
  111   HD13  LEU  14          3HD1      LEU  14   1.613   7.987  -4.667
  112   HD21  LEU  14          3HD2      LEU  14  -0.662   5.782  -2.027
  113   HD22  LEU  14          1HD2      LEU  14   0.161   7.022  -1.079
  114   HD23  LEU  14          2HD2      LEU  14   1.102   5.837  -1.988
  115    H    ARG  15           H        ARG  15  -1.294  10.700  -1.345
  116    HA   ARG  15           HA       ARG  15  -3.757  12.049  -1.363
  117    HB2  ARG  15           2HB      ARG  15  -0.907  12.844  -1.013
  118    HB3  ARG  15           1HB      ARG  15  -2.082  14.115  -1.322
  119    HG2  ARG  15           2HG      ARG  15  -1.811  13.904   1.035
  120    HG3  ARG  15           1HG      ARG  15  -3.404  13.280   0.610
  121    HD2  ARG  15           2HD      ARG  15  -2.738  11.055   0.909
  122    HD3  ARG  15           1HD      ARG  15  -1.025  11.468   0.852
  123    HE   ARG  15           HE       ARG  15  -2.757  11.563   3.142
  124   HH11  ARG  15          1HH1      ARG  15   0.163  12.834   1.713
  125   HH12  ARG  15          2HH1      ARG  15   0.868  13.265   3.236
  126   HH21  ARG  15          1HH2      ARG  15  -1.834  12.132   5.143
  127   HH22  ARG  15          2HH2      ARG  15  -0.265  12.868   5.183
  128    H    SER  16           H        SER  16  -1.223  11.765  -3.760
  129    HA   SER  16           HA       SER  16  -2.039  13.874  -5.448
  130    HB2  SER  16           2HB      SER  16  -0.872  12.195  -7.198
  131    HB3  SER  16           1HB      SER  16   0.050  13.191  -6.073
  132    HG   SER  16           HG       SER  16  -0.772  10.518  -5.586
  133    H    GLY  17           H        GLY  17  -3.129  10.576  -5.069
  134    HA2  GLY  17           2HA      GLY  17  -5.480  10.193  -5.706
  135    HA3  GLY  17           1HA      GLY  17  -5.130  11.069  -7.189
  136    H    GLN  18           H        GLN  18  -2.483   9.744  -7.432
  137    HA   GLN  18           HA       GLN  18  -3.382   7.465  -8.924
  138    HB2  GLN  18           2HB      GLN  18  -0.795   8.880  -8.515
  139    HB3  GLN  18           1HB      GLN  18  -0.729   7.210  -9.062
  140    HG2  GLN  18           2HG      GLN  18  -1.736   7.685 -11.077
  141    HG3  GLN  18           1HG      GLN  18  -2.505   9.150 -10.466
  142   HE21  GLN  18          1HE2      GLN  18   0.098   7.871 -12.174
  143   HE22  GLN  18          2HE2      GLN  18   1.046   9.310 -12.304
  144    H    CYS  19           H        CYS  19  -2.852   5.293  -8.587
  145    HA   CYS  19           HA       CYS  19  -2.439   4.605  -5.781
  146    HB2  CYS  19           2HB      CYS  19  -4.330   3.662  -7.252
  147    HB3  CYS  19           1HB      CYS  19  -3.081   2.665  -7.991
  148    H    VAL  20           H        VAL  20  -0.412   4.288  -5.148
  149    HA   VAL  20           HA       VAL  20   1.544   3.231  -7.058
  150    HB   VAL  20           HB       VAL  20   2.087   4.370  -4.317
  151   HG11  VAL  20          1HG1      VAL  20   4.348   4.780  -5.565
  152   HG12  VAL  20          2HG1      VAL  20   3.776   3.477  -6.608
  153   HG13  VAL  20          3HG1      VAL  20   3.985   3.196  -4.879
  154   HG21  VAL  20          3HG2      VAL  20   2.817   6.409  -5.599
  155   HG22  VAL  20          1HG2      VAL  20   1.076   6.129  -5.553
  156   HG23  VAL  20          2HG2      VAL  20   1.996   5.727  -7.003
  157    H    ALA  21           H        ALA  21   3.079   1.603  -6.325
  158    HA   ALA  21           HA       ALA  21   1.778  -0.612  -5.122
  159    HB1  ALA  21           1HB      ALA  21   3.609  -0.675  -6.872
  160    HB2  ALA  21           2HB      ALA  21   3.754  -1.828  -5.544
  161    HB3  ALA  21           3HB      ALA  21   4.743  -0.366  -5.556
  162    H    THR  22           H        THR  22   1.260  -0.540  -3.018
  163    HA   THR  22           HA       THR  22   2.948   0.744  -1.071
  164    HB   THR  22           HB       THR  22   0.945  -0.915   0.144
  165    HG1  THR  22           1HG      THR  22   0.046   0.687  -2.015
  166   HG21  THR  22          3HG2      THR  22   1.367   2.027  -0.159
  167   HG22  THR  22          1HG2      THR  22   1.475   1.026   1.288
  168   HG23  THR  22          2HG2      THR  22  -0.100   1.386   0.580
  169    H    THR  23           H        THR  23   4.888  -0.399  -1.109
  170    HA   THR  23           HA       THR  23   4.744  -3.094   0.068
  171    HB   THR  23           HB       THR  23   5.439  -3.217  -2.290
  172    HG1  THR  23           1HG      THR  23   6.358  -4.759  -1.012
  173   HG21  THR  23          3HG2      THR  23   7.031  -0.950  -1.634
  174   HG22  THR  23          1HG2      THR  23   6.756  -1.704  -3.204
  175   HG23  THR  23          2HG2      THR  23   8.078  -2.261  -2.177
  176    H    GLU  24           H        GLU  24   4.860  -0.846   1.651
  177    HA   GLU  24           HA       GLU  24   7.378   0.117   2.328
  178    HB2  GLU  24           2HB      GLU  24   5.015   0.807   3.161
  179    HB3  GLU  24           1HB      GLU  24   5.285  -0.395   4.416
  180    HG2  GLU  24           2HG      GLU  24   7.304   0.784   5.116
  181    HG3  GLU  24           1HG      GLU  24   7.039   1.987   3.854
  182    HA   PRO  25           HA       PRO  25   8.995  -3.805   3.906
  183    HB2  PRO  25           2HB      PRO  25  11.580  -3.039   4.022
  184    HB3  PRO  25           1HB      PRO  25  10.793  -3.476   2.500
  185    HG2  PRO  25           2HG      PRO  25  11.332  -0.760   3.640
  186    HG3  PRO  25           1HG      PRO  25  11.543  -1.335   1.977
  187    HD2  PRO  25           2HD      PRO  25   9.390   0.117   2.779
  188    HD3  PRO  25           1HD      PRO  25   9.314  -1.084   1.474
  189    HA   PRO  26           HA       PRO  26   9.195  -2.854   8.228
  190    HB2  PRO  26           2HB      PRO  26  10.467  -5.051   9.159
  191    HB3  PRO  26           1HB      PRO  26   8.798  -5.095   8.578
  192    HG2  PRO  26           2HG      PRO  26  11.318  -5.887   7.167
  193    HG3  PRO  26           1HG      PRO  26   9.750  -6.716   7.207
  194    HD2  PRO  26           2HD      PRO  26  10.544  -5.166   5.124
  195    HD3  PRO  26           1HD      PRO  26   8.843  -5.350   5.595
  196    H    PHE  27           H        PHE  27  11.052  -3.378  10.078
  197    HA   PHE  27           HA       PHE  27  13.008  -1.423   9.693
  198    HB2  PHE  27           2HB      PHE  27  12.134  -3.053  11.808
  199    HB3  PHE  27           1HB      PHE  27  13.856  -3.382  11.643
  200    HD1  PHE  27           2HD      PHE  27  15.498  -1.622  12.003
  201    HD2  PHE  27           1HD      PHE  27  11.335  -0.903  12.516
  202    HE1  PHE  27           2HE      PHE  27  16.011   0.451  13.223
  203    HE2  PHE  27           1HE      PHE  27  11.840   1.172  13.736
  204    HZ   PHE  27           HZ       PHE  27  14.180   1.852  14.091
  205    H    ASP  28           H        ASP  28  15.434  -1.919  10.031
  206    HA   ASP  28           HA       ASP  28  16.389  -3.219   7.747
  207    HB2  ASP  28           2HB      ASP  28  17.549  -1.888  10.082
  208    HB3  ASP  28           1HB      ASP  28  18.565  -3.180   9.445
  209    HA   PRO  29           HA       PRO  29  17.942  -6.771  10.869
  210    HB2  PRO  29           2HB      PRO  29  15.600  -6.434  12.697
  211    HB3  PRO  29           1HB      PRO  29  17.237  -6.992  13.060
  212    HG2  PRO  29           2HG      PRO  29  16.472  -4.517  13.683
  213    HG3  PRO  29           1HG      PRO  29  18.108  -4.846  13.085
  214    HD2  PRO  29           2HD      PRO  29  15.808  -3.572  11.703
  215    HD3  PRO  29           1HD      PRO  29  17.547  -3.308  11.485
  216    H    ASP  30           H        ASP  30  16.876  -8.933  11.195
  217    HA   ASP  30           HA       ASP  30  14.276  -9.241   9.936
  218    HB2  ASP  30           2HB      ASP  30  15.860  -9.287   8.049
  219    HB3  ASP  30           1HB      ASP  30  16.743 -10.596   8.827
  220    H    SER  31           H        SER  31  17.009 -11.410  10.607
  221    HA   SER  31           HA       SER  31  15.999 -12.481  12.993
  222    HB2  SER  31           2HB      SER  31  15.511 -14.817  11.758
  223    HB3  SER  31           1HB      SER  31  14.247 -13.632  12.083
  224    HG   SER  31           HG       SER  31  13.963 -13.742  10.000
  225    H    TYR  32           H        TYR  32  18.305 -12.068  13.231
  226    HA   TYR  32           HA       TYR  32  20.120 -13.880  11.870
  227    HB2  TYR  32           2HB      TYR  32  21.856 -12.690  13.275
  228    HB3  TYR  32           1HB      TYR  32  20.963 -11.671  12.152
  229    HD1  TYR  32           2HD      TYR  32  20.758 -12.839  15.700
  230    HD2  TYR  32           1HD      TYR  32  20.162  -9.656  12.941
  231    HE1  TYR  32           2HE      TYR  32  20.134 -11.354  17.557
  232    HE2  TYR  32           1HE      TYR  32  19.536  -8.161  14.790
  233    HH   TYR  32           HH       TYR  32  20.182  -8.759  17.936
  Start of MODEL   13
    1    H1   SER   1           1HT      SER   1 -15.373   8.863 -10.168
    2    H2   SER   1           2HT      SER   1 -14.128   8.082  -9.281
    3    H3   SER   1           3HT      SER   1 -15.753   8.005  -8.733
    4    HA   SER   1           HA       SER   1 -16.400   6.685 -10.519
    5    HB2  SER   1           2HB      SER   1 -13.576   6.895 -11.576
    6    HB3  SER   1           1HB      SER   1 -14.983   6.208 -12.385
    7    HG   SER   1           HG       SER   1 -14.547   8.295 -13.160
    8    H    VAL   2           H        VAL   2 -16.422   5.513  -8.474
    9    HA   VAL   2           HA       VAL   2 -14.090   3.996  -7.715
   10    HB   VAL   2           HB       VAL   2 -16.919   3.659  -6.716
   11   HG11  VAL   2          1HG1      VAL   2 -14.250   2.648  -5.864
   12   HG12  VAL   2          2HG1      VAL   2 -15.805   1.818  -5.926
   13   HG13  VAL   2          3HG1      VAL   2 -15.473   2.973  -4.636
   14   HG21  VAL   2          3HG2      VAL   2 -16.641   5.799  -6.038
   15   HG22  VAL   2          1HG2      VAL   2 -14.883   5.723  -6.162
   16   HG23  VAL   2          2HG2      VAL   2 -15.698   5.037  -4.756
   17    H    GLN   3           H        GLN   3 -13.869   1.740  -7.798
   18    HA   GLN   3           HA       GLN   3 -15.701   0.349  -9.627
   19    HB2  GLN   3           2HB      GLN   3 -13.199   1.073 -10.359
   20    HB3  GLN   3           1HB      GLN   3 -12.869  -0.500  -9.645
   21    HG2  GLN   3           2HG      GLN   3 -14.724  -1.391 -11.135
   22    HG3  GLN   3           1HG      GLN   3 -14.630   0.153 -11.981
   23   HE21  GLN   3          1HE2      GLN   3 -14.175  -1.779 -13.586
   24   HE22  GLN   3          2HE2      GLN   3 -12.497  -2.047 -13.898
   25    H    ILE   4           H        ILE   4 -15.571  -2.039  -9.447
   26    HA   ILE   4           HA       ILE   4 -15.908  -2.862  -6.775
   27    HB   ILE   4           HB       ILE   4 -17.049  -3.965  -8.644
   28   HG12  ILE   4          2HG1      ILE   4 -16.775  -6.274  -7.889
   29   HG13  ILE   4          1HG1      ILE   4 -15.232  -5.868  -7.146
   30   HG21  ILE   4          1HG2      ILE   4 -15.394  -3.933 -10.349
   31   HG22  ILE   4          2HG2      ILE   4 -15.752  -5.626 -10.006
   32   HG23  ILE   4          3HG2      ILE   4 -14.279  -4.891  -9.372
   33   HD11  ILE   4          3HD1      ILE   4 -17.671  -5.906  -5.896
   34   HD12  ILE   4          1HD1      ILE   4 -17.410  -4.189  -6.209
   35   HD13  ILE   4          2HD1      ILE   4 -16.213  -5.113  -5.300
   36    H    LEU   5           H        LEU   5 -13.150  -2.869  -8.902
   37    HA   LEU   5           HA       LEU   5 -11.566  -4.786  -7.609
   38    HB2  LEU   5           2HB      LEU   5 -11.052  -2.489  -9.424
   39    HB3  LEU   5           1HB      LEU   5  -9.683  -3.159  -8.558
   40    HG   LEU   5           HG       LEU   5 -10.567  -5.440  -9.514
   41   HD11  LEU   5          1HD1      LEU   5 -11.904  -5.399 -11.359
   42   HD12  LEU   5          2HD1      LEU   5 -11.418  -3.765 -11.814
   43   HD13  LEU   5          3HD1      LEU   5 -12.563  -4.010 -10.494
   44   HD21  LEU   5          3HD2      LEU   5  -8.455  -4.938 -10.202
   45   HD22  LEU   5          1HD2      LEU   5  -8.898  -3.322 -10.754
   46   HD23  LEU   5          2HD2      LEU   5  -9.305  -4.731 -11.732
   47    H    ARG   6           H        ARG   6 -10.724  -1.351  -7.510
   48    HA   ARG   6           HA       ARG   6  -9.879  -0.036  -5.859
   49    HB2  ARG   6           2HB      ARG   6 -12.124  -0.328  -4.920
   50    HB3  ARG   6           1HB      ARG   6 -11.604  -1.801  -4.116
   51    HG2  ARG   6           2HG      ARG   6 -10.310  -0.650  -2.569
   52    HG3  ARG   6           1HG      ARG   6 -10.231   0.800  -3.573
   53    HD2  ARG   6           2HD      ARG   6 -12.307   1.520  -2.939
   54    HD3  ARG   6           1HD      ARG   6 -12.898  -0.111  -2.633
   55    HE   ARG   6           HE       ARG   6 -11.567   1.635  -0.772
   56   HH11  ARG   6          1HH1      ARG   6 -12.362  -1.677  -1.535
   57   HH12  ARG   6          2HH1      ARG   6 -12.212  -2.221   0.101
   58   HH21  ARG   6          1HH2      ARG   6 -11.370   0.922   1.380
   59   HH22  ARG   6          2HH2      ARG   6 -11.650  -0.745   1.757
   60    H    CYS   7           H        CYS   7  -8.471  -0.013  -3.906
   61    HA   CYS   7           HA       CYS   7  -6.531  -2.124  -4.099
   62    HB2  CYS   7           2HB      CYS   7  -6.670   0.566  -2.890
   63    HB3  CYS   7           1HB      CYS   7  -5.636  -0.584  -2.049
   64    HA   PRO   8           HA       PRO   8  -8.593  -4.658  -0.985
   65    HB2  PRO   8           2HB      PRO   8  -5.873  -5.882  -1.014
   66    HB3  PRO   8           1HB      PRO   8  -7.457  -6.659  -1.110
   67    HG2  PRO   8           2HG      PRO   8  -5.932  -6.382  -3.280
   68    HG3  PRO   8           1HG      PRO   8  -7.693  -6.200  -3.367
   69    HD2  PRO   8           2HD      PRO   8  -5.567  -4.117  -3.446
   70    HD3  PRO   8           1HD      PRO   8  -7.149  -4.151  -4.244
   71    H    ASP   9           H        ASP   9  -7.706  -5.598   1.206
   72    HA   ASP   9           HA       ASP   9  -7.167  -3.445   2.903
   73    HB2  ASP   9           2HB      ASP   9  -8.179  -5.700   3.510
   74    HB3  ASP   9           1HB      ASP   9  -6.533  -6.327   3.545
   75    H    GLY  10           H        GLY  10  -5.348  -2.490   3.607
   76    HA2  GLY  10           2HA      GLY  10  -3.037  -2.571   4.275
   77    HA3  GLY  10           1HA      GLY  10  -2.775  -3.818   3.065
   78    H    MET  11           H        MET  11  -4.466  -2.159   1.154
   79    HA   MET  11           HA       MET  11  -2.331  -0.268   0.422
   80    HB2  MET  11           2HB      MET  11  -4.265  -1.820  -1.299
   81    HB3  MET  11           1HB      MET  11  -3.262  -0.514  -1.916
   82    HG2  MET  11           2HG      MET  11  -1.475  -2.157  -0.593
   83    HG3  MET  11           1HG      MET  11  -2.592  -3.277  -1.372
   84    HE1  MET  11           3HE      MET  11  -0.237  -3.918  -2.059
   85    HE2  MET  11           1HE      MET  11   0.645  -3.233  -3.424
   86    HE3  MET  11           2HE      MET  11  -0.794  -4.211  -3.707
   87    H    GLN  12           H        GLN  12  -2.850   1.775   0.802
   88    HA   GLN  12           HA       GLN  12  -5.652   2.607   0.430
   89    HB2  GLN  12           2HB      GLN  12  -5.251   4.342   2.125
   90    HB3  GLN  12           1HB      GLN  12  -5.003   2.728   2.776
   91    HG2  GLN  12           2HG      GLN  12  -2.495   3.410   1.915
   92    HG3  GLN  12           1HG      GLN  12  -3.137   4.945   2.498
   93   HE21  GLN  12          1HE2      GLN  12  -1.494   4.793   4.135
   94   HE22  GLN  12          2HE2      GLN  12  -1.771   3.833   5.544
   95    H    MET  13           H        MET  13  -6.058   4.267  -0.916
   96    HA   MET  13           HA       MET  13  -3.901   5.264  -2.540
   97    HB2  MET  13           2HB      MET  13  -5.682   6.439  -3.779
   98    HB3  MET  13           1HB      MET  13  -6.026   4.726  -3.585
   99    HG2  MET  13           2HG      MET  13  -7.585   5.203  -1.804
  100    HG3  MET  13           1HG      MET  13  -7.187   6.918  -1.882
  101    HE1  MET  13           3HE      MET  13 -10.851   5.609  -3.501
  102    HE2  MET  13           1HE      MET  13 -10.221   6.265  -1.990
  103    HE3  MET  13           2HE      MET  13  -9.804   4.623  -2.480
  104    H    LEU  14           H        LEU  14  -3.027   7.277  -2.564
  105    HA   LEU  14           HA       LEU  14  -3.422   8.903  -0.211
  106    HB2  LEU  14           2HB      LEU  14  -1.680   9.619  -2.552
  107    HB3  LEU  14           1HB      LEU  14  -1.498  10.089  -0.873
  108    HG   LEU  14           HG       LEU  14  -1.263   7.205  -1.635
  109   HD11  LEU  14          1HD1      LEU  14   1.316   7.977  -1.575
  110   HD12  LEU  14          2HD1      LEU  14   0.584   9.383  -2.348
  111   HD13  LEU  14          3HD1      LEU  14   0.383   7.783  -3.058
  112   HD21  LEU  14          3HD2      LEU  14  -1.343   8.194   0.757
  113   HD22  LEU  14          1HD2      LEU  14   0.314   8.692   0.424
  114   HD23  LEU  14          2HD2      LEU  14  -0.121   6.984   0.366
  115    H    ARG  15           H        ARG  15  -3.351  11.399  -0.667
  116    HA   ARG  15           HA       ARG  15  -5.839  12.131  -1.707
  117    HB2  ARG  15           2HB      ARG  15  -4.000  13.367  -0.159
  118    HB3  ARG  15           1HB      ARG  15  -3.736  14.213  -1.679
  119    HG2  ARG  15           2HG      ARG  15  -5.328  15.557  -0.791
  120    HG3  ARG  15           1HG      ARG  15  -6.377  14.395  -1.606
  121    HD2  ARG  15           2HD      ARG  15  -6.260  13.107   0.647
  122    HD3  ARG  15           1HD      ARG  15  -5.739  14.659   1.305
  123    HE   ARG  15           HE       ARG  15  -8.382  13.928   0.538
  124   HH11  ARG  15          1HH1      ARG  15  -6.174  16.625   0.707
  125   HH12  ARG  15          2HH1      ARG  15  -7.432  17.808   0.831
  126   HH21  ARG  15          1HH2      ARG  15 -10.039  15.482   0.699
  127   HH22  ARG  15          2HH2      ARG  15  -9.626  17.159   0.826
  128    H    SER  16           H        SER  16  -2.703  11.890  -3.216
  129    HA   SER  16           HA       SER  16  -3.320  13.402  -5.543
  130    HB2  SER  16           2HB      SER  16  -1.139  11.545  -4.713
  131    HB3  SER  16           1HB      SER  16  -1.337  11.860  -6.437
  132    HG   SER  16           HG       SER  16  -1.152  14.091  -5.967
  133    H    GLY  17           H        GLY  17  -3.643  10.013  -4.659
  134    HA2  GLY  17           2HA      GLY  17  -5.641   8.987  -5.819
  135    HA3  GLY  17           1HA      GLY  17  -4.853   9.497  -7.303
  136    H    GLN  18           H        GLN  18  -2.180   8.828  -6.172
  137    HA   GLN  18           HA       GLN  18  -1.907   6.255  -7.220
  138    HB2  GLN  18           2HB      GLN  18  -0.171   7.949  -5.448
  139    HB3  GLN  18           1HB      GLN  18   0.305   6.307  -5.862
  140    HG2  GLN  18           2HG      GLN  18   0.806   6.842  -7.992
  141    HG3  GLN  18           1HG      GLN  18  -0.496   8.024  -8.117
  142   HE21  GLN  18          1HE2      GLN  18   2.429   8.081  -8.785
  143   HE22  GLN  18          2HE2      GLN  18   3.023   9.505  -8.010
  144    H    CYS  19           H        CYS  19  -1.672   4.227  -6.291
  145    HA   CYS  19           HA       CYS  19  -2.910   3.954  -3.650
  146    HB2  CYS  19           2HB      CYS  19  -3.207   2.548  -6.083
  147    HB3  CYS  19           1HB      CYS  19  -2.454   1.431  -4.950
  148    H    VAL  20           H        VAL  20  -1.501   3.911  -2.027
  149    HA   VAL  20           HA       VAL  20   1.107   2.628  -2.419
  150    HB   VAL  20           HB       VAL  20   0.202   4.287  -0.063
  151   HG11  VAL  20          1HG1      VAL  20   2.859   3.211  -0.961
  152   HG12  VAL  20          2HG1      VAL  20   2.044   2.980   0.586
  153   HG13  VAL  20          3HG1      VAL  20   2.721   4.555   0.172
  154   HG21  VAL  20          3HG2      VAL  20   1.677   6.051  -1.154
  155   HG22  VAL  20          1HG2      VAL  20   0.099   5.767  -1.889
  156   HG23  VAL  20          2HG2      VAL  20   1.551   5.089  -2.626
  157    H    ALA  21           H        ALA  21   1.588   0.730  -1.518
  158    HA   ALA  21           HA       ALA  21  -0.425  -0.601   0.098
  159    HB1  ALA  21           1HB      ALA  21   1.081  -1.543  -1.890
  160    HB2  ALA  21           2HB      ALA  21   0.479  -2.566  -0.586
  161    HB3  ALA  21           3HB      ALA  21   2.132  -1.953  -0.534
  162    H    THR  22           H        THR  22   0.263  -1.871   2.015
  163    HA   THR  22           HA       THR  22   1.907  -0.205   3.740
  164    HB   THR  22           HB       THR  22  -0.298  -0.950   4.535
  165    HG1  THR  22           1HG      THR  22   1.808  -2.170   5.986
  166   HG21  THR  22          3HG2      THR  22   0.848  -3.730   4.526
  167   HG22  THR  22          1HG2      THR  22  -0.395  -3.135   3.426
  168   HG23  THR  22          2HG2      THR  22  -0.723  -3.237   5.155
  169    H    THR  23           H        THR  23   3.453  -1.434   1.848
  170    HA   THR  23           HA       THR  23   4.939  -3.394   3.459
  171    HB   THR  23           HB       THR  23   3.830  -4.610   1.674
  172    HG1  THR  23           1HG      THR  23   6.574  -4.220   1.081
  173   HG21  THR  23          3HG2      THR  23   4.551  -2.322   0.069
  174   HG22  THR  23          1HG2      THR  23   3.368  -3.593  -0.236
  175   HG23  THR  23          2HG2      THR  23   5.059  -3.839  -0.674
  176    H    GLU  24           H        GLU  24   5.893  -1.188   4.019
  177    HA   GLU  24           HA       GLU  24   7.366   0.385   2.308
  178    HB2  GLU  24           2HB      GLU  24   7.168   0.004   5.131
  179    HB3  GLU  24           1HB      GLU  24   8.871   0.130   4.711
  180    HG2  GLU  24           2HG      GLU  24   7.937   2.184   3.288
  181    HG3  GLU  24           1HG      GLU  24   6.722   2.150   4.566
  182    HA   PRO  25           HA       PRO  25  11.149  -1.420   0.943
  183    HB2  PRO  25           2HB      PRO  25  12.703  -0.032   3.081
  184    HB3  PRO  25           1HB      PRO  25  12.989  -0.085   1.337
  185    HG2  PRO  25           2HG      PRO  25  11.947   2.084   2.470
  186    HG3  PRO  25           1HG      PRO  25  11.372   1.519   0.890
  187    HD2  PRO  25           2HD      PRO  25  10.078   1.307   3.568
  188    HD3  PRO  25           1HD      PRO  25   9.339   1.527   1.968
  189    HA   PRO  26           HA       PRO  26  12.574  -4.970   3.145
  190    HB2  PRO  26           2HB      PRO  26  15.307  -3.808   3.425
  191    HB3  PRO  26           1HB      PRO  26  14.813  -5.386   2.800
  192    HG2  PRO  26           2HG      PRO  26  15.564  -3.446   1.140
  193    HG3  PRO  26           1HG      PRO  26  14.222  -4.529   0.728
  194    HD2  PRO  26           2HD      PRO  26  14.159  -1.694   1.648
  195    HD3  PRO  26           1HD      PRO  26  13.084  -2.539   0.516
  196    H    PHE  27           H        PHE  27  13.717  -5.714   5.202
  197    HA   PHE  27           HA       PHE  27  13.141  -3.774   7.328
  198    HB2  PHE  27           2HB      PHE  27  12.832  -6.715   7.085
  199    HB3  PHE  27           1HB      PHE  27  13.296  -6.098   8.667
  200    HD1  PHE  27           1HD      PHE  27  10.732  -5.840   6.011
  201    HD2  PHE  27           2HD      PHE  27  11.719  -5.102  10.084
  202    HE1  PHE  27           1HE      PHE  27   8.381  -5.281   6.475
  203    HE2  PHE  27           2HE      PHE  27   9.369  -4.544  10.556
  204    HZ   PHE  27           HZ       PHE  27   7.697  -4.632   8.750
  205    H    ASP  28           H        ASP  28  14.465  -4.218   9.388
  206    HA   ASP  28           HA       ASP  28  17.147  -3.646   8.877
  207    HB2  ASP  28           2HB      ASP  28  15.559  -4.353  11.293
  208    HB3  ASP  28           1HB      ASP  28  17.312  -4.481  11.414
  209    HA   PRO  29           HA       PRO  29  18.999  -7.579   8.137
  210    HB2  PRO  29           2HB      PRO  29  21.517  -7.124   9.056
  211    HB3  PRO  29           1HB      PRO  29  20.912  -6.466   7.532
  212    HG2  PRO  29           2HG      PRO  29  21.159  -5.141  10.203
  213    HG3  PRO  29           1HG      PRO  29  21.530  -4.497   8.593
  214    HD2  PRO  29           2HD      PRO  29  19.242  -3.899   9.913
  215    HD3  PRO  29           1HD      PRO  29  19.324  -4.004   8.142
  216    H    ASP  30           H        ASP  30  19.860  -6.184  11.288
  217    HA   ASP  30           HA       ASP  30  20.285  -7.162  13.318
  218    HB2  ASP  30           2HB      ASP  30  18.398  -8.430  14.193
  219    HB3  ASP  30           1HB      ASP  30  17.821  -7.068  13.237
  220    H    SER  31           H        SER  31  21.675  -8.434  11.127
  221    HA   SER  31           HA       SER  31  23.019 -10.233  10.774
  222    HB2  SER  31           2HB      SER  31  22.337 -10.434  13.637
  223    HB3  SER  31           1HB      SER  31  22.882 -11.938  12.894
  224    HG   SER  31           HG       SER  31  24.282  -9.496  12.597
  225    H    TYR  32           H        TYR  32  20.623 -11.895  12.780
  226    HA   TYR  32           HA       TYR  32  19.351 -13.081  10.465
  227    HB2  TYR  32           2HB      TYR  32  19.779 -15.415  11.312
  228    HB3  TYR  32           1HB      TYR  32  21.190 -14.597  10.648
  229    HD1  TYR  32           2HD      TYR  32  19.486 -15.313  13.884
  230    HD2  TYR  32           1HD      TYR  32  23.155 -14.491  11.893
  231    HE1  TYR  32           2HE      TYR  32  20.710 -15.748  15.972
  232    HE2  TYR  32           1HE      TYR  32  24.389 -14.926  13.974
  233    HH   TYR  32           HH       TYR  32  23.896 -14.868  16.454
  Start of MODEL   14
    1    H1   SER   1           1HT      SER   1 -20.022   2.715  -5.259
    2    H2   SER   1           2HT      SER   1 -19.789   4.408  -5.406
    3    H3   SER   1           3HT      SER   1 -18.532   3.417  -4.787
    4    HA   SER   1           HA       SER   1 -19.644   3.204  -7.501
    5    HB2  SER   1           2HB      SER   1 -18.310   5.360  -6.634
    6    HB3  SER   1           1HB      SER   1 -16.930   4.309  -6.956
    7    HG   SER   1           HG       SER   1 -18.858   5.316  -8.737
    8    H    VAL   2           H        VAL   2 -18.808   1.557  -8.673
    9    HA   VAL   2           HA       VAL   2 -17.413  -0.522  -7.290
   10    HB   VAL   2           HB       VAL   2 -17.945  -0.351 -10.256
   11   HG11  VAL   2          1HG1      VAL   2 -17.973  -2.911  -8.780
   12   HG12  VAL   2          2HG1      VAL   2 -16.404  -2.134  -8.986
   13   HG13  VAL   2          3HG1      VAL   2 -17.379  -2.538 -10.397
   14   HG21  VAL   2          3HG2      VAL   2 -19.720  -1.479  -8.092
   15   HG22  VAL   2          1HG2      VAL   2 -20.021  -1.556  -9.828
   16   HG23  VAL   2          2HG2      VAL   2 -20.020   0.002  -9.001
   17    H    GLN   3           H        GLN   3 -15.290  -0.655  -7.017
   18    HA   GLN   3           HA       GLN   3 -13.511   0.998  -8.608
   19    HB2  GLN   3           2HB      GLN   3 -13.479   0.431  -5.992
   20    HB3  GLN   3           1HB      GLN   3 -12.446  -0.874  -6.560
   21    HG2  GLN   3           2HG      GLN   3 -10.869   0.638  -7.458
   22    HG3  GLN   3           1HG      GLN   3 -11.966   2.004  -7.264
   23   HE21  GLN   3          1HE2      GLN   3  -9.617   0.005  -5.782
   24   HE22  GLN   3          2HE2      GLN   3  -9.573   0.803  -4.251
   25    H    ILE   4           H        ILE   4 -11.379  -0.022  -9.283
   26    HA   ILE   4           HA       ILE   4 -11.992  -2.423 -10.827
   27    HB   ILE   4           HB       ILE   4 -11.053  -0.495 -12.025
   28   HG12  ILE   4          2HG1      ILE   4  -8.876  -2.553 -12.045
   29   HG13  ILE   4          1HG1      ILE   4 -10.509  -3.026 -12.509
   30   HG21  ILE   4          1HG2      ILE   4  -9.710   0.555 -10.382
   31   HG22  ILE   4          2HG2      ILE   4  -8.616   0.023 -11.658
   32   HG23  ILE   4          3HG2      ILE   4  -8.729  -0.894 -10.157
   33   HD11  ILE   4          3HD1      ILE   4  -9.418  -2.494 -14.506
   34   HD12  ILE   4          1HD1      ILE   4  -8.697  -1.036 -13.826
   35   HD13  ILE   4          2HD1      ILE   4 -10.429  -1.093 -14.153
   36    H    LEU   5           H        LEU   5 -10.025  -1.351  -8.174
   37    HA   LEU   5           HA       LEU   5  -9.343  -4.036  -7.481
   38    HB2  LEU   5           2HB      LEU   5  -7.422  -2.388  -8.957
   39    HB3  LEU   5           1HB      LEU   5  -6.783  -3.043  -7.461
   40    HG   LEU   5           HG       LEU   5  -8.194  -4.923  -9.281
   41   HD11  LEU   5          1HD1      LEU   5  -5.696  -3.471  -9.945
   42   HD12  LEU   5          2HD1      LEU   5  -6.945  -4.127 -11.005
   43   HD13  LEU   5          3HD1      LEU   5  -5.752  -5.203 -10.277
   44   HD21  LEU   5          3HD2      LEU   5  -5.751  -5.092  -7.524
   45   HD22  LEU   5          1HD2      LEU   5  -6.411  -6.425  -8.472
   46   HD23  LEU   5          2HD2      LEU   5  -7.357  -5.720  -7.161
   47    H    ARG   6           H        ARG   6 -10.226  -3.621  -5.497
   48    HA   ARG   6           HA       ARG   6  -9.955  -1.368  -3.928
   49    HB2  ARG   6           2HB      ARG   6 -10.600  -4.209  -3.427
   50    HB3  ARG   6           1HB      ARG   6 -10.078  -3.288  -2.024
   51    HG2  ARG   6           2HG      ARG   6 -11.869  -1.571  -3.050
   52    HG3  ARG   6           1HG      ARG   6 -12.558  -3.100  -3.601
   53    HD2  ARG   6           2HD      ARG   6 -12.386  -3.927  -1.245
   54    HD3  ARG   6           1HD      ARG   6 -11.917  -2.296  -0.769
   55    HE   ARG   6           HE       ARG   6 -14.259  -1.957  -2.123
   56   HH11  ARG   6          1HH1      ARG   6 -13.272  -3.877   0.619
   57   HH12  ARG   6          2HH1      ARG   6 -14.835  -3.841   1.364
   58   HH21  ARG   6          1HH2      ARG   6 -16.315  -1.908  -1.143
   59   HH22  ARG   6          2HH2      ARG   6 -16.562  -2.725   0.364
   60    H    CYS   7           H        CYS   7  -8.810  -1.432  -1.686
   61    HA   CYS   7           HA       CYS   7  -6.028  -2.319  -2.066
   62    HB2  CYS   7           2HB      CYS   7  -7.069   0.333  -1.099
   63    HB3  CYS   7           1HB      CYS   7  -5.454  -0.223  -0.676
   64    HA   PRO   8           HA       PRO   8  -7.860  -4.195   1.815
   65    HB2  PRO   8           2HB      PRO   8  -5.802  -6.193   1.028
   66    HB3  PRO   8           1HB      PRO   8  -7.462  -6.444   1.580
   67    HG2  PRO   8           2HG      PRO   8  -6.823  -6.752  -0.986
   68    HG3  PRO   8           1HG      PRO   8  -8.364  -6.013  -0.513
   69    HD2  PRO   8           2HD      PRO   8  -5.874  -4.719  -1.538
   70    HD3  PRO   8           1HD      PRO   8  -7.571  -4.313  -1.862
   71    H    ASP   9           H        ASP   9  -6.382  -5.336   3.596
   72    HA   ASP   9           HA       ASP   9  -4.763  -3.361   4.700
   73    HB2  ASP   9           2HB      ASP   9  -5.280  -6.231   5.269
   74    HB3  ASP   9           1HB      ASP   9  -3.836  -5.528   5.990
   75    H    GLY  10           H        GLY  10  -2.916  -2.605   3.912
   76    HA2  GLY  10           2HA      GLY  10  -0.489  -3.451   3.831
   77    HA3  GLY  10           1HA      GLY  10  -1.098  -4.470   2.536
   78    H    MET  11           H        MET  11  -2.926  -2.314   1.612
   79    HA   MET  11           HA       MET  11  -0.943  -0.447   0.492
   80    HB2  MET  11           2HB      MET  11  -2.347  -0.571  -1.648
   81    HB3  MET  11           1HB      MET  11  -1.284  -1.928  -1.299
   82    HG2  MET  11           2HG      MET  11  -3.346  -3.004  -0.218
   83    HG3  MET  11           1HG      MET  11  -4.264  -1.772  -1.082
   84    HE1  MET  11           3HE      MET  11  -2.472  -5.518  -2.000
   85    HE2  MET  11           1HE      MET  11  -4.198  -5.559  -2.362
   86    HE3  MET  11           2HE      MET  11  -3.637  -4.932  -0.812
   87    H    GLN  12           H        GLN  12  -1.580   1.647   0.299
   88    HA   GLN  12           HA       GLN  12  -4.380   2.287   0.926
   89    HB2  GLN  12           2HB      GLN  12  -3.016   2.592   2.954
   90    HB3  GLN  12           1HB      GLN  12  -1.955   3.684   2.074
   91    HG2  GLN  12           2HG      GLN  12  -4.139   5.023   1.635
   92    HG3  GLN  12           1HG      GLN  12  -4.753   4.111   3.014
   93   HE21  GLN  12          1HE2      GLN  12  -2.173   6.266   1.966
   94   HE22  GLN  12          2HE2      GLN  12  -1.868   6.954   3.521
   95    H    MET  13           H        MET  13  -5.248   4.019  -0.146
   96    HA   MET  13           HA       MET  13  -3.883   4.864  -2.526
   97    HB2  MET  13           2HB      MET  13  -6.328   4.414  -2.449
   98    HB3  MET  13           1HB      MET  13  -6.525   5.815  -1.405
   99    HG2  MET  13           2HG      MET  13  -6.214   7.298  -3.095
  100    HG3  MET  13           1HG      MET  13  -5.149   6.221  -3.996
  101    HE1  MET  13           3HE      MET  13  -8.239   7.756  -3.378
  102    HE2  MET  13           1HE      MET  13  -9.413   6.444  -3.314
  103    HE3  MET  13           2HE      MET  13  -9.207   7.371  -4.800
  104    H    LEU  14           H        LEU  14  -3.023   6.835  -3.005
  105    HA   LEU  14           HA       LEU  14  -2.599   8.637  -0.735
  106    HB2  LEU  14           2HB      LEU  14  -1.210   8.676  -3.410
  107    HB3  LEU  14           1HB      LEU  14  -0.724   9.516  -1.951
  108    HG   LEU  14           HG       LEU  14  -0.747   6.514  -2.271
  109   HD11  LEU  14          1HD1      LEU  14   1.483   6.552  -2.780
  110   HD12  LEU  14          2HD1      LEU  14   1.741   8.127  -2.030
  111   HD13  LEU  14          3HD1      LEU  14   0.946   8.018  -3.599
  112   HD21  LEU  14          3HD2      LEU  14  -0.846   6.706  -0.017
  113   HD22  LEU  14          1HD2      LEU  14  -0.225   8.355  -0.018
  114   HD23  LEU  14          2HD2      LEU  14   0.883   6.997  -0.207
  115    H    ARG  15           H        ARG  15  -2.278  11.027  -1.522
  116    HA   ARG  15           HA       ARG  15  -4.790  12.014  -2.248
  117    HB2  ARG  15           2HB      ARG  15  -2.077  13.342  -2.339
  118    HB3  ARG  15           1HB      ARG  15  -3.599  14.197  -2.556
  119    HG2  ARG  15           2HG      ARG  15  -4.086  14.162  -0.361
  120    HG3  ARG  15           1HG      ARG  15  -3.408  12.551  -0.125
  121    HD2  ARG  15           2HD      ARG  15  -1.740  15.024  -0.543
  122    HD3  ARG  15           1HD      ARG  15  -2.186  14.404   1.047
  123    HE   ARG  15           HE       ARG  15  -0.961  12.392  -0.546
  124   HH11  ARG  15          1HH1      ARG  15  -0.257  15.209   1.391
  125   HH12  ARG  15          2HH1      ARG  15   1.347  14.691   1.787
  126   HH21  ARG  15          1HH2      ARG  15   1.149  11.709  -0.025
  127   HH22  ARG  15          2HH2      ARG  15   2.146  12.703   0.982
  128    H    SER  16           H        SER  16  -2.017  11.149  -4.185
  129    HA   SER  16           HA       SER  16  -2.849  12.459  -6.572
  130    HB2  SER  16           2HB      SER  16  -0.759  10.488  -5.817
  131    HB3  SER  16           1HB      SER  16  -1.242  10.515  -7.514
  132    HG   SER  16           HG       SER  16  -0.846  12.828  -7.422
  133    H    GLY  17           H        GLY  17  -3.409   9.278  -5.186
  134    HA2  GLY  17           2HA      GLY  17  -5.686   8.415  -5.884
  135    HA3  GLY  17           1HA      GLY  17  -5.086   8.610  -7.524
  136    H    GLN  18           H        GLN  18  -2.390   7.702  -6.829
  137    HA   GLN  18           HA       GLN  18  -2.715   4.956  -7.358
  138    HB2  GLN  18           2HB      GLN  18  -0.402   6.710  -6.654
  139    HB3  GLN  18           1HB      GLN  18  -0.186   4.965  -6.606
  140    HG2  GLN  18           2HG      GLN  18   0.261   5.061  -8.769
  141    HG3  GLN  18           1HG      GLN  18  -1.444   5.425  -9.029
  142   HE21  GLN  18          1HE2      GLN  18   1.652   6.964  -8.294
  143   HE22  GLN  18          2HE2      GLN  18   1.336   8.422  -9.165
  144    H    CYS  19           H        CYS  19  -1.840   3.173  -6.028
  145    HA   CYS  19           HA       CYS  19  -2.414   3.610  -3.171
  146    HB2  CYS  19           2HB      CYS  19  -3.924   2.077  -4.731
  147    HB3  CYS  19           1HB      CYS  19  -2.669   0.894  -4.379
  148    H    VAL  20           H        VAL  20  -0.479   3.752  -2.204
  149    HA   VAL  20           HA       VAL  20   1.647   1.891  -2.986
  150    HB   VAL  20           HB       VAL  20   2.248   4.271  -2.905
  151   HG11  VAL  20          1HG1      VAL  20   0.752   5.084  -1.220
  152   HG12  VAL  20          2HG1      VAL  20   2.406   5.390  -0.686
  153   HG13  VAL  20          3HG1      VAL  20   1.490   4.049   0.002
  154   HG21  VAL  20          3HG2      VAL  20   3.909   2.488  -2.392
  155   HG22  VAL  20          1HG2      VAL  20   3.593   2.750  -0.677
  156   HG23  VAL  20          2HG2      VAL  20   4.283   4.046  -1.656
  157    H    ALA  21           H        ALA  21   2.905   0.833  -1.306
  158    HA   ALA  21           HA       ALA  21   1.254  -0.478   0.594
  159    HB1  ALA  21           1HB      ALA  21   2.992  -1.789  -0.223
  160    HB2  ALA  21           2HB      ALA  21   3.533  -1.371   1.404
  161    HB3  ALA  21           3HB      ALA  21   4.192  -0.516   0.010
  162    H    THR  22           H        THR  22   0.983  -0.164   2.743
  163    HA   THR  22           HA       THR  22   1.989   2.330   3.851
  164    HB   THR  22           HB       THR  22   0.456   1.407   5.826
  165    HG1  THR  22           1HG      THR  22  -0.758   0.221   3.567
  166   HG21  THR  22          3HG2      THR  22  -1.568   2.248   4.304
  167   HG22  THR  22          1HG2      THR  22  -0.216   2.879   3.364
  168   HG23  THR  22          2HG2      THR  22  -0.403   3.340   5.056
  169    H    THR  23           H        THR  23   4.055   0.591   3.534
  170    HA   THR  23           HA       THR  23   4.981   0.299   6.236
  171    HB   THR  23           HB       THR  23   3.746  -1.811   5.950
  172    HG1  THR  23           1HG      THR  23   5.507  -3.186   6.454
  173   HG21  THR  23          3HG2      THR  23   5.297  -3.368   4.308
  174   HG22  THR  23          1HG2      THR  23   5.115  -1.870   3.394
  175   HG23  THR  23          2HG2      THR  23   3.686  -2.749   3.942
  176    H    GLU  24           H        GLU  24   5.858   1.917   4.184
  177    HA   GLU  24           HA       GLU  24   8.099   0.694   2.850
  178    HB2  GLU  24           2HB      GLU  24   6.675   3.231   2.730
  179    HB3  GLU  24           1HB      GLU  24   8.418   3.446   2.642
  180    HG2  GLU  24           2HG      GLU  24   8.600   2.234   0.676
  181    HG3  GLU  24           1HG      GLU  24   7.052   1.426   0.916
  182    HA   PRO  25           HA       PRO  25  10.489   3.629   5.977
  183    HB2  PRO  25           2HB      PRO  25   8.509   3.675   8.181
  184    HB3  PRO  25           1HB      PRO  25   9.547   4.965   7.572
  185    HG2  PRO  25           2HG      PRO  25   6.920   4.943   7.065
  186    HG3  PRO  25           1HG      PRO  25   8.091   5.518   5.864
  187    HD2  PRO  25           2HD      PRO  25   6.618   2.921   5.990
  188    HD3  PRO  25           1HD      PRO  25   7.047   3.909   4.580
  189    HA   PRO  26           HA       PRO  26  10.242   0.163   9.252
  190    HB2  PRO  26           2HB      PRO  26   8.055  -1.347   9.524
  191    HB3  PRO  26           1HB      PRO  26   8.133   0.280  10.213
  192    HG2  PRO  26           2HG      PRO  26   6.799  -0.658   7.707
  193    HG3  PRO  26           1HG      PRO  26   6.223   0.505   8.914
  194    HD2  PRO  26           2HD      PRO  26   7.408   1.180   6.509
  195    HD3  PRO  26           1HD      PRO  26   7.330   2.237   7.930
  196    H    PHE  27           H        PHE  27   9.679  -2.454   9.277
  197    HA   PHE  27           HA       PHE  27  10.229  -4.449   8.338
  198    HB2  PHE  27           2HB      PHE  27   8.195  -4.070   7.040
  199    HB3  PHE  27           1HB      PHE  27   9.103  -3.132   5.860
  200    HD1  PHE  27           2HD      PHE  27   8.963  -6.518   7.396
  201    HD2  PHE  27           1HD      PHE  27   9.950  -4.177   3.981
  202    HE1  PHE  27           2HE      PHE  27   9.410  -8.575   6.120
  203    HE2  PHE  27           1HE      PHE  27  10.398  -6.230   2.699
  204    HZ   PHE  27           HZ       PHE  27  10.130  -8.432   3.769
  205    H    ASP  28           H        ASP  28  12.351  -4.807   8.315
  206    HA   ASP  28           HA       ASP  28  13.943  -3.590   6.153
  207    HB2  ASP  28           2HB      ASP  28  14.390  -3.706   9.022
  208    HB3  ASP  28           1HB      ASP  28  15.740  -4.397   8.128
  209    HA   PRO  29           HA       PRO  29  15.473  -7.418   4.600
  210    HB2  PRO  29           2HB      PRO  29  18.143  -6.967   5.847
  211    HB3  PRO  29           1HB      PRO  29  17.733  -7.338   4.169
  212    HG2  PRO  29           2HG      PRO  29  18.437  -4.872   4.877
  213    HG3  PRO  29           1HG      PRO  29  17.150  -5.145   3.687
  214    HD2  PRO  29           2HD      PRO  29  16.944  -4.336   6.553
  215    HD3  PRO  29           1HD      PRO  29  15.948  -3.848   5.167
  216    H    ASP  30           H        ASP  30  16.935  -9.428   5.328
  217    HA   ASP  30           HA       ASP  30  16.072 -10.104   8.055
  218    HB2  ASP  30           2HB      ASP  30  16.445 -12.537   6.993
  219    HB3  ASP  30           1HB      ASP  30  14.912 -11.678   6.881
  220    H    SER  31           H        SER  31  18.350 -11.719   5.880
  221    HA   SER  31           HA       SER  31  20.529 -12.320   6.117
  222    HB2  SER  31           2HB      SER  31  20.375  -9.726   7.539
  223    HB3  SER  31           1HB      SER  31  21.776 -10.729   7.913
  224    HG   SER  31           HG       SER  31  22.465  -9.709   6.164
  225    H    TYR  32           H        TYR  32  20.107 -11.126   9.420
  226    HA   TYR  32           HA       TYR  32  21.220 -13.420  10.604
  227    HB2  TYR  32           2HB      TYR  32  20.995 -11.076  11.601
  228    HB3  TYR  32           1HB      TYR  32  19.339 -11.521  12.000
  229    HD1  TYR  32           2HD      TYR  32  22.471 -13.538  12.179
  230    HD2  TYR  32           1HD      TYR  32  19.278 -11.709  14.316
  231    HE1  TYR  32           2HE      TYR  32  23.262 -14.595  14.254
  232    HE2  TYR  32           1HE      TYR  32  20.061 -12.760  16.396
  233    HH   TYR  32           HH       TYR  32  21.394 -14.603  17.141
  Start of MODEL   15
    1    H1   SER   1           1HT      SER   1 -17.187  -6.018  -4.160
    2    H2   SER   1           2HT      SER   1 -17.189  -7.211  -5.393
    3    H3   SER   1           3HT      SER   1 -18.664  -6.734  -4.653
    4    HA   SER   1           HA       SER   1 -18.681  -5.661  -6.652
    5    HB2  SER   1           2HB      SER   1 -18.746  -4.297  -4.333
    6    HB3  SER   1           1HB      SER   1 -17.392  -3.472  -5.105
    7    HG   SER   1           HG       SER   1 -19.912  -3.011  -5.514
    8    H    VAL   2           H        VAL   2 -17.665  -4.887  -8.459
    9    HA   VAL   2           HA       VAL   2 -14.886  -5.480  -8.745
   10    HB   VAL   2           HB       VAL   2 -16.455  -5.814 -10.598
   11   HG11  VAL   2          1HG1      VAL   2 -17.738  -4.199 -11.549
   12   HG12  VAL   2          2HG1      VAL   2 -16.575  -2.916 -11.206
   13   HG13  VAL   2          3HG1      VAL   2 -17.623  -3.522  -9.923
   14   HG21  VAL   2          3HG2      VAL   2 -14.527  -3.674 -11.445
   15   HG22  VAL   2          1HG2      VAL   2 -15.027  -5.122 -12.319
   16   HG23  VAL   2          2HG2      VAL   2 -13.975  -5.262 -10.911
   17    H    GLN   3           H        GLN   3 -14.464  -3.882  -6.867
   18    HA   GLN   3           HA       GLN   3 -14.438  -1.092  -7.508
   19    HB2  GLN   3           2HB      GLN   3 -13.051  -0.919  -5.416
   20    HB3  GLN   3           1HB      GLN   3 -14.624  -1.675  -5.204
   21    HG2  GLN   3           2HG      GLN   3 -13.712  -3.539  -4.436
   22    HG3  GLN   3           1HG      GLN   3 -12.611  -3.643  -5.809
   23   HE21  GLN   3          1HE2      GLN   3 -10.564  -3.665  -5.260
   24   HE22  GLN   3          2HE2      GLN   3  -9.860  -2.883  -3.889
   25    H    ILE   4           H        ILE   4 -13.142  -0.343  -9.058
   26    HA   ILE   4           HA       ILE   4 -10.391  -1.380  -9.204
   27    HB   ILE   4           HB       ILE   4 -10.633  -0.108 -11.559
   28   HG12  ILE   4          2HG1      ILE   4 -12.861  -0.745 -12.523
   29   HG13  ILE   4          1HG1      ILE   4 -13.406  -1.110 -10.889
   30   HG21  ILE   4          1HG2      ILE   4 -11.524  -2.521 -12.319
   31   HG22  ILE   4          2HG2      ILE   4 -11.025  -2.889 -10.668
   32   HG23  ILE   4          3HG2      ILE   4  -9.864  -2.212 -11.810
   33   HD11  ILE   4          3HD1      ILE   4 -12.308   1.488 -10.845
   34   HD12  ILE   4          1HD1      ILE   4 -13.990   1.002 -10.638
   35   HD13  ILE   4          2HD1      ILE   4 -13.373   1.381 -12.246
   36    H    LEU   5           H        LEU   5 -11.273   0.679  -7.384
   37    HA   LEU   5           HA       LEU   5  -9.478   2.809  -8.269
   38    HB2  LEU   5           2HB      LEU   5 -12.085   3.456  -6.919
   39    HB3  LEU   5           1HB      LEU   5 -10.958   4.562  -7.683
   40    HG   LEU   5           HG       LEU   5 -11.607   3.037  -9.811
   41   HD11  LEU   5          1HD1      LEU   5 -13.180   1.626  -8.739
   42   HD12  LEU   5          2HD1      LEU   5 -14.107   2.770  -9.709
   43   HD13  LEU   5          3HD1      LEU   5 -13.980   2.991  -7.964
   44   HD21  LEU   5          3HD2      LEU   5 -12.563   4.928 -10.605
   45   HD22  LEU   5          1HD2      LEU   5 -11.866   5.616  -9.138
   46   HD23  LEU   5          2HD2      LEU   5 -13.569   5.154  -9.173
   47    H    ARG   6           H        ARG   6 -11.405   1.515  -5.595
   48    HA   ARG   6           HA       ARG   6  -9.990   2.802  -3.528
   49    HB2  ARG   6           2HB      ARG   6 -11.902   0.536  -3.716
   50    HB3  ARG   6           1HB      ARG   6 -10.926   0.633  -2.257
   51    HG2  ARG   6           2HG      ARG   6 -12.105   3.188  -2.995
   52    HG3  ARG   6           1HG      ARG   6 -13.307   1.928  -2.708
   53    HD2  ARG   6           2HD      ARG   6 -11.638   1.520  -0.618
   54    HD3  ARG   6           1HD      ARG   6 -11.470   3.261  -0.833
   55    HE   ARG   6           HE       ARG   6 -13.776   1.847   0.138
   56   HH11  ARG   6          1HH1      ARG   6 -12.653   4.772  -1.397
   57   HH12  ARG   6          2HH1      ARG   6 -14.010   5.714  -0.879
   58   HH21  ARG   6          1HH2      ARG   6 -15.563   3.084   0.820
   59   HH22  ARG   6          2HH2      ARG   6 -15.661   4.756   0.381
   60    H    CYS   7           H        CYS   7  -8.465   1.946  -2.039
   61    HA   CYS   7           HA       CYS   7  -6.838  -0.257  -3.126
   62    HB2  CYS   7           2HB      CYS   7  -5.834   2.153  -1.598
   63    HB3  CYS   7           1HB      CYS   7  -4.848   0.862  -2.278
   64    HA   PRO   8           HA       PRO   8  -8.457  -1.584   1.022
   65    HB2  PRO   8           2HB      PRO   8  -7.820  -4.188  -0.259
   66    HB3  PRO   8           1HB      PRO   8  -9.266  -3.694   0.629
   67    HG2  PRO   8           2HG      PRO   8  -9.310  -3.936  -2.025
   68    HG3  PRO   8           1HG      PRO   8 -10.193  -2.631  -1.211
   69    HD2  PRO   8           2HD      PRO   8  -7.601  -2.528  -2.698
   70    HD3  PRO   8           1HD      PRO   8  -8.924  -1.345  -2.653
   71    H    ASP   9           H        ASP   9  -7.340  -3.894   2.045
   72    HA   ASP   9           HA       ASP   9  -4.951  -3.019   3.150
   73    HB2  ASP   9           2HB      ASP   9  -4.658  -5.324   3.956
   74    HB3  ASP   9           1HB      ASP   9  -6.322  -4.783   4.157
   75    H    GLY  10           H        GLY  10  -2.911  -2.947   2.467
   76    HA2  GLY  10           2HA      GLY  10  -1.054  -4.177   1.416
   77    HA3  GLY  10           1HA      GLY  10  -2.174  -4.596   0.127
   78    H    MET  11           H        MET  11  -3.331  -1.851   0.172
   79    HA   MET  11           HA       MET  11  -1.075  -0.323  -0.925
   80    HB2  MET  11           2HB      MET  11  -3.736  -0.803  -2.270
   81    HB3  MET  11           1HB      MET  11  -2.587   0.424  -2.786
   82    HG2  MET  11           2HG      MET  11  -0.942  -1.622  -2.864
   83    HG3  MET  11           1HG      MET  11  -2.442  -2.533  -3.020
   84    HE1  MET  11           3HE      MET  11  -2.589  -2.695  -6.671
   85    HE2  MET  11           1HE      MET  11  -3.068  -3.310  -5.089
   86    HE3  MET  11           2HE      MET  11  -1.374  -3.363  -5.580
   87    H    GLN  12           H        GLN  12  -0.957   1.317   0.484
   88    HA   GLN  12           HA       GLN  12  -3.403   2.556   1.484
   89    HB2  GLN  12           2HB      GLN  12  -0.611   2.378   2.378
   90    HB3  GLN  12           1HB      GLN  12  -1.333   3.965   2.605
   91    HG2  GLN  12           2HG      GLN  12  -1.575   2.560   4.583
   92    HG3  GLN  12           1HG      GLN  12  -3.139   2.993   3.891
   93   HE21  GLN  12          1HE2      GLN  12  -2.080   0.689   5.562
   94   HE22  GLN  12          2HE2      GLN  12  -2.666  -0.717   4.747
   95    H    MET  13           H        MET  13  -4.219   4.354   0.648
   96    HA   MET  13           HA       MET  13  -3.060   5.632  -1.594
   97    HB2  MET  13           2HB      MET  13  -5.411   6.228   0.174
   98    HB3  MET  13           1HB      MET  13  -4.903   7.385  -1.048
   99    HG2  MET  13           2HG      MET  13  -5.219   5.727  -2.787
  100    HG3  MET  13           1HG      MET  13  -5.657   4.520  -1.579
  101    HE1  MET  13           3HE      MET  13  -7.737   8.400  -2.417
  102    HE2  MET  13           1HE      MET  13  -7.717   7.421  -3.885
  103    HE3  MET  13           2HE      MET  13  -6.206   7.809  -3.062
  104    H    LEU  14           H        LEU  14  -2.459   7.891  -1.771
  105    HA   LEU  14           HA       LEU  14  -1.276   8.958   0.708
  106    HB2  LEU  14           2HB      LEU  14  -0.090   9.447  -2.002
  107    HB3  LEU  14           1HB      LEU  14   0.662   9.620  -0.429
  108    HG   LEU  14           HG       LEU  14  -0.151   6.935  -1.520
  109   HD11  LEU  14          1HD1      LEU  14   1.647   8.489  -2.804
  110   HD12  LEU  14          2HD1      LEU  14   1.725   6.729  -2.742
  111   HD13  LEU  14          3HD1      LEU  14   2.688   7.694  -1.623
  112   HD21  LEU  14          3HD2      LEU  14   1.542   7.923   0.745
  113   HD22  LEU  14          1HD2      LEU  14   1.798   6.320   0.055
  114   HD23  LEU  14          2HD2      LEU  14   0.237   6.736   0.761
  115    H    ARG  15           H        ARG  15  -0.545  11.383   0.156
  116    HA   ARG  15           HA       ARG  15  -2.908  12.875  -0.020
  117    HB2  ARG  15           2HB      ARG  15  -0.526  13.460   0.937
  118    HB3  ARG  15           1HB      ARG  15  -0.268  14.122  -0.671
  119    HG2  ARG  15           2HG      ARG  15  -1.032  15.974   0.414
  120    HG3  ARG  15           1HG      ARG  15  -2.555  15.322  -0.191
  121    HD2  ARG  15           2HD      ARG  15  -1.583  14.440   2.481
  122    HD3  ARG  15           1HD      ARG  15  -2.273  16.054   2.327
  123    HE   ARG  15           HE       ARG  15  -4.043  14.307   1.105
  124   HH11  ARG  15          1HH1      ARG  15  -2.740  14.833   4.299
  125   HH12  ARG  15          2HH1      ARG  15  -4.148  14.231   5.109
  126   HH21  ARG  15          1HH2      ARG  15  -5.895  13.514   2.166
  127   HH22  ARG  15          2HH2      ARG  15  -5.939  13.481   3.898
  128    H    SER  16           H        SER  16  -0.585  11.913  -2.451
  129    HA   SER  16           HA       SER  16  -1.464  13.689  -4.487
  130    HB2  SER  16           2HB      SER  16  -0.302  11.090  -5.300
  131    HB3  SER  16           1HB      SER  16   0.147  12.726  -5.778
  132    HG   SER  16           HG       SER  16   1.267  11.153  -3.924
  133    H    GLY  17           H        GLY  17  -2.473  10.512  -3.417
  134    HA2  GLY  17           2HA      GLY  17  -4.910  10.120  -3.885
  135    HA3  GLY  17           1HA      GLY  17  -4.517  10.501  -5.554
  136    H    GLN  18           H        GLN  18  -1.964   9.082  -5.474
  137    HA   GLN  18           HA       GLN  18  -2.962   6.471  -6.129
  138    HB2  GLN  18           2HB      GLN  18  -0.163   7.609  -6.074
  139    HB3  GLN  18           1HB      GLN  18  -0.550   5.984  -6.624
  140    HG2  GLN  18           2HG      GLN  18  -1.312   6.698  -8.602
  141    HG3  GLN  18           1HG      GLN  18  -2.125   8.096  -7.898
  142   HE21  GLN  18          1HE2      GLN  18  -0.419   7.814 -10.295
  143   HE22  GLN  18          2HE2      GLN  18   0.844   8.975 -10.100
  144    H    CYS  19           H        CYS  19  -2.203   4.477  -5.220
  145    HA   CYS  19           HA       CYS  19  -1.472   4.731  -2.377
  146    HB2  CYS  19           2HB      CYS  19  -2.580   2.435  -2.183
  147    HB3  CYS  19           1HB      CYS  19  -3.646   3.813  -2.442
  148    H    VAL  20           H        VAL  20   0.331   3.765  -1.684
  149    HA   VAL  20           HA       VAL  20   1.851   2.169  -3.617
  150    HB   VAL  20           HB       VAL  20   2.826   3.367  -1.021
  151   HG11  VAL  20          1HG1      VAL  20   4.226   2.084  -3.355
  152   HG12  VAL  20          2HG1      VAL  20   4.241   1.577  -1.666
  153   HG13  VAL  20          3HG1      VAL  20   5.058   3.063  -2.149
  154   HG21  VAL  20          3HG2      VAL  20   2.027   4.808  -3.191
  155   HG22  VAL  20          1HG2      VAL  20   3.737   4.554  -3.541
  156   HG23  VAL  20          2HG2      VAL  20   3.250   5.326  -2.031
  157    H    ALA  21           H        ALA  21   3.027   0.281  -2.861
  158    HA   ALA  21           HA       ALA  21   1.378  -1.523  -1.456
  159    HB1  ALA  21           1HB      ALA  21   3.425  -1.823  -3.171
  160    HB2  ALA  21           2HB      ALA  21   2.839  -3.113  -2.120
  161    HB3  ALA  21           3HB      ALA  21   4.251  -2.165  -1.650
  162    H    THR  22           H        THR  22   0.927  -1.200   0.641
  163    HA   THR  22           HA       THR  22   2.999  -0.301   2.473
  164    HB   THR  22           HB       THR  22   0.767   0.707   2.619
  165    HG1  THR  22           1HG      THR  22   0.544   0.476   4.843
  166   HG21  THR  22          3HG2      THR  22  -0.742  -1.193   3.974
  167   HG22  THR  22          1HG2      THR  22  -0.127  -2.023   2.546
  168   HG23  THR  22          2HG2      THR  22  -1.048  -0.529   2.371
  169    H    THR  23           H        THR  23   3.411  -2.880   1.367
  170    HA   THR  23           HA       THR  23   3.732  -4.381   3.792
  171    HB   THR  23           HB       THR  23   2.163  -5.763   1.631
  172    HG1  THR  23           1HG      THR  23   1.075  -4.428   3.884
  173   HG21  THR  23          3HG2      THR  23   3.346  -6.726   3.903
  174   HG22  THR  23          1HG2      THR  23   2.028  -7.494   3.016
  175   HG23  THR  23          2HG2      THR  23   1.675  -6.467   4.406
  176    H    GLU  24           H        GLU  24   5.880  -3.771   2.851
  177    HA   GLU  24           HA       GLU  24   6.716  -5.506   0.651
  178    HB2  GLU  24           2HB      GLU  24   7.719  -2.963   1.808
  179    HB3  GLU  24           1HB      GLU  24   8.915  -4.058   1.130
  180    HG2  GLU  24           2HG      GLU  24   8.251  -3.692  -0.987
  181    HG3  GLU  24           1HG      GLU  24   6.550  -3.559  -0.547
  182    HA   PRO  25           HA       PRO  25   8.130  -8.306   3.936
  183    HB2  PRO  25           2HB      PRO  25   9.254  -9.646   1.531
  184    HB3  PRO  25           1HB      PRO  25   8.302 -10.321   2.855
  185    HG2  PRO  25           2HG      PRO  25   7.208  -9.886   0.460
  186    HG3  PRO  25           1HG      PRO  25   6.293  -9.615   1.953
  187    HD2  PRO  25           2HD      PRO  25   7.536  -7.633   0.104
  188    HD3  PRO  25           1HD      PRO  25   6.039  -7.516   1.048
  189    HA   PRO  26           HA       PRO  26  12.705  -7.811   2.584
  190    HB2  PRO  26           2HB      PRO  26  13.322  -6.488   0.328
  191    HB3  PRO  26           1HB      PRO  26  12.873  -8.198   0.311
  192    HG2  PRO  26           2HG      PRO  26  11.215  -5.798  -0.350
  193    HG3  PRO  26           1HG      PRO  26  11.302  -7.362  -1.179
  194    HD2  PRO  26           2HD      PRO  26   9.322  -6.673   0.585
  195    HD3  PRO  26           1HD      PRO  26   9.822  -8.344   0.264
  196    H    PHE  27           H        PHE  27  14.073  -6.274   3.393
  197    HA   PHE  27           HA       PHE  27  13.862  -3.504   3.002
  198    HB2  PHE  27           2HB      PHE  27  11.794  -4.221   4.527
  199    HB3  PHE  27           1HB      PHE  27  13.009  -4.093   5.794
  200    HD1  PHE  27           1HD      PHE  27  11.890  -2.147   2.808
  201    HD2  PHE  27           2HD      PHE  27  13.136  -2.084   6.877
  202    HE1  PHE  27           1HE      PHE  27  11.564   0.291   2.866
  203    HE2  PHE  27           2HE      PHE  27  12.811   0.353   6.943
  204    HZ   PHE  27           HZ       PHE  27  12.024   1.544   4.936
  205    H    ASP  28           H        ASP  28  15.028  -2.331   4.990
  206    HA   ASP  28           HA       ASP  28  17.334  -4.019   5.708
  207    HB2  ASP  28           2HB      ASP  28  17.173  -1.340   4.490
  208    HB3  ASP  28           1HB      ASP  28  18.336  -1.483   5.804
  209    HA   PRO  29           HA       PRO  29  15.291  -2.294   9.567
  210    HB2  PRO  29           2HB      PRO  29  14.895  -4.665  10.813
  211    HB3  PRO  29           1HB      PRO  29  13.723  -3.977   9.683
  212    HG2  PRO  29           2HG      PRO  29  15.786  -6.095   9.216
  213    HG3  PRO  29           1HG      PRO  29  14.097  -6.041   8.679
  214    HD2  PRO  29           2HD      PRO  29  16.175  -5.409   7.053
  215    HD3  PRO  29           1HD      PRO  29  14.575  -4.654   6.903
  216    H    ASP  30           H        ASP  30  15.906  -3.363  11.938
  217    HA   ASP  30           HA       ASP  30  18.838  -3.599  11.918
  218    HB2  ASP  30           2HB      ASP  30  18.807  -2.429  14.120
  219    HB3  ASP  30           1HB      ASP  30  18.230  -1.430  12.790
  220    H    SER  31           H        SER  31  16.852  -5.737  11.885
  221    HA   SER  31           HA       SER  31  16.721  -6.847  14.528
  222    HB2  SER  31           2HB      SER  31  15.246  -7.246  12.298
  223    HB3  SER  31           1HB      SER  31  16.332  -8.632  12.193
  224    HG   SER  31           HG       SER  31  14.400  -9.046  13.404
  225    H    TYR  32           H        TYR  32  17.330  -9.478  14.263
  226    HA   TYR  32           HA       TYR  32  20.192  -9.435  14.448
  227    HB2  TYR  32           2HB      TYR  32  18.280 -10.914  15.667
  228    HB3  TYR  32           1HB      TYR  32  18.799 -12.045  14.422
  229    HD1  TYR  32           2HD      TYR  32  20.226  -9.798  17.043
  230    HD2  TYR  32           1HD      TYR  32  20.600 -13.432  14.863
  231    HE1  TYR  32           2HE      TYR  32  22.158 -10.423  18.429
  232    HE2  TYR  32           1HE      TYR  32  22.533 -14.068  16.244
  233    HH   TYR  32           HH       TYR  32  24.099 -11.866  18.341
  Start of MODEL   16
    1    H1   SER   1           1HT      SER   1 -23.129  -2.169  -5.019
    2    H2   SER   1           2HT      SER   1 -22.137  -3.001  -6.146
    3    H3   SER   1           3HT      SER   1 -21.942  -1.312  -5.912
    4    HA   SER   1           HA       SER   1 -21.041  -1.570  -3.834
    5    HB2  SER   1           2HB      SER   1 -20.967  -3.922  -2.820
    6    HB3  SER   1           1HB      SER   1 -22.542  -3.127  -2.852
    7    HG   SER   1           HG       SER   1 -21.681  -4.880  -4.899
    8    H    VAL   2           H        VAL   2 -20.089  -1.705  -6.535
    9    HA   VAL   2           HA       VAL   2 -18.047  -3.763  -6.590
   10    HB   VAL   2           HB       VAL   2 -18.405  -1.467  -8.517
   11   HG11  VAL   2          1HG1      VAL   2 -16.861  -2.453  -9.848
   12   HG12  VAL   2          2HG1      VAL   2 -17.304  -4.082  -9.343
   13   HG13  VAL   2          3HG1      VAL   2 -16.284  -3.086  -8.306
   14   HG21  VAL   2          3HG2      VAL   2 -20.417  -2.472  -8.853
   15   HG22  VAL   2          1HG2      VAL   2 -19.869  -4.028  -8.230
   16   HG23  VAL   2          2HG2      VAL   2 -19.428  -3.528  -9.862
   17    H    GLN   3           H        GLN   3 -16.059  -3.535  -5.810
   18    HA   GLN   3           HA       GLN   3 -15.222  -1.123  -4.553
   19    HB2  GLN   3           2HB      GLN   3 -14.534  -3.306  -3.704
   20    HB3  GLN   3           1HB      GLN   3 -13.673  -3.638  -5.200
   21    HG2  GLN   3           2HG      GLN   3 -11.961  -2.193  -4.696
   22    HG3  GLN   3           1HG      GLN   3 -12.956  -1.225  -3.610
   23   HE21  GLN   3          1HE2      GLN   3 -12.008  -4.640  -3.860
   24   HE22  GLN   3          2HE2      GLN   3 -11.511  -4.798  -2.212
   25    H    ILE   4           H        ILE   4 -14.123   0.543  -5.350
   26    HA   ILE   4           HA       ILE   4 -12.975   0.284  -8.048
   27    HB   ILE   4           HB       ILE   4 -14.805   1.914  -7.879
   28   HG12  ILE   4          2HG1      ILE   4 -12.309   3.544  -8.196
   29   HG13  ILE   4          1HG1      ILE   4 -12.622   2.209  -9.301
   30   HG21  ILE   4          1HG2      ILE   4 -13.021   3.236  -5.844
   31   HG22  ILE   4          2HG2      ILE   4 -14.643   2.588  -5.592
   32   HG23  ILE   4          3HG2      ILE   4 -14.410   4.018  -6.597
   33   HD11  ILE   4          3HD1      ILE   4 -13.380   4.603  -9.920
   34   HD12  ILE   4          1HD1      ILE   4 -14.724   4.270  -8.830
   35   HD13  ILE   4          2HD1      ILE   4 -14.455   3.240 -10.235
   36    H    LEU   5           H        LEU   5 -12.291   1.052  -4.744
   37    HA   LEU   5           HA       LEU   5  -9.953   2.564  -5.044
   38    HB2  LEU   5           2HB      LEU   5 -11.404   1.764  -2.931
   39    HB3  LEU   5           1HB      LEU   5 -10.079   0.623  -2.811
   40    HG   LEU   5           HG       LEU   5  -9.585   2.495  -1.404
   41   HD11  LEU   5          1HD1      LEU   5  -7.876   3.125  -3.754
   42   HD12  LEU   5          2HD1      LEU   5  -7.835   1.489  -3.096
   43   HD13  LEU   5          3HD1      LEU   5  -7.431   2.864  -2.067
   44   HD21  LEU   5          3HD2      LEU   5  -9.679   4.737  -2.034
   45   HD22  LEU   5          1HD2      LEU   5 -11.121   4.036  -2.770
   46   HD23  LEU   5          2HD2      LEU   5  -9.694   4.352  -3.755
   47    H    ARG   6           H        ARG   6 -10.418  -0.936  -4.801
   48    HA   ARG   6           HA       ARG   6  -9.067  -2.702  -5.279
   49    HB2  ARG   6           2HB      ARG   6  -9.182  -1.757  -7.528
   50    HB3  ARG   6           1HB      ARG   6  -7.830  -0.693  -7.166
   51    HG2  ARG   6           2HG      ARG   6  -6.505  -2.254  -8.014
   52    HG3  ARG   6           1HG      ARG   6  -6.873  -3.232  -6.593
   53    HD2  ARG   6           2HD      ARG   6  -7.310  -4.578  -8.504
   54    HD3  ARG   6           1HD      ARG   6  -8.870  -4.106  -7.831
   55    HE   ARG   6           HE       ARG   6  -8.336  -2.212  -9.724
   56   HH11  ARG   6          1HH1      ARG   6  -8.566  -5.693  -9.726
   57   HH12  ARG   6          2HH1      ARG   6  -9.109  -5.782 -11.367
   58   HH21  ARG   6          1HH2      ARG   6  -9.050  -2.326 -11.883
   59   HH22  ARG   6          2HH2      ARG   6  -9.383  -3.870 -12.592
   60    H    CYS   7           H        CYS   7  -8.349  -1.763  -2.951
   61    HA   CYS   7           HA       CYS   7  -5.471  -2.123  -2.918
   62    HB2  CYS   7           2HB      CYS   7  -6.794   0.356  -1.807
   63    HB3  CYS   7           1HB      CYS   7  -5.154  -0.141  -1.409
   64    HA   PRO   8           HA       PRO   8  -7.711  -4.542   0.343
   65    HB2  PRO   8           2HB      PRO   8  -5.089  -5.941   0.114
   66    HB3  PRO   8           1HB      PRO   8  -6.719  -6.616   0.217
   67    HG2  PRO   8           2HG      PRO   8  -5.416  -6.569  -2.103
   68    HG3  PRO   8           1HG      PRO   8  -7.157  -6.244  -2.030
   69    HD2  PRO   8           2HD      PRO   8  -4.884  -4.342  -2.387
   70    HD3  PRO   8           1HD      PRO   8  -6.512  -4.304  -3.094
   71    H    ASP   9           H        ASP   9  -6.652  -5.387   2.490
   72    HA   ASP   9           HA       ASP   9  -5.791  -3.159   3.947
   73    HB2  ASP   9           2HB      ASP   9  -6.812  -5.512   4.669
   74    HB3  ASP   9           1HB      ASP   9  -5.114  -5.883   4.948
   75    H    GLY  10           H        GLY  10  -3.899  -2.157   3.873
   76    HA2  GLY  10           2HA      GLY  10  -1.498  -2.521   4.521
   77    HA3  GLY  10           1HA      GLY  10  -1.490  -3.764   3.278
   78    H    MET  11           H        MET  11  -3.202  -2.101   1.510
   79    HA   MET  11           HA       MET  11  -1.116  -0.218   0.623
   80    HB2  MET  11           2HB      MET  11  -2.237  -0.524  -1.656
   81    HB3  MET  11           1HB      MET  11  -1.283  -1.869  -1.042
   82    HG2  MET  11           2HG      MET  11  -4.204  -1.810  -0.485
   83    HG3  MET  11           1HG      MET  11  -3.650  -2.246  -2.101
   84    HE1  MET  11           3HE      MET  11  -1.077  -4.859  -1.405
   85    HE2  MET  11           1HE      MET  11  -1.806  -3.693  -2.509
   86    HE3  MET  11           2HE      MET  11  -2.513  -5.298  -2.327
   87    H    GLN  12           H        GLN  12  -1.618   1.874   0.432
   88    HA   GLN  12           HA       GLN  12  -4.464   2.633   0.505
   89    HB2  GLN  12           2HB      GLN  12  -2.820   3.025   2.595
   90    HB3  GLN  12           1HB      GLN  12  -2.478   4.492   1.688
   91    HG2  GLN  12           2HG      GLN  12  -5.316   3.752   2.136
   92    HG3  GLN  12           1HG      GLN  12  -4.389   4.386   3.495
   93   HE21  GLN  12          1HE2      GLN  12  -6.473   5.266   1.209
   94   HE22  GLN  12          2HE2      GLN  12  -5.997   6.907   0.951
   95    H    MET  13           H        MET  13  -5.086   4.382  -0.736
   96    HA   MET  13           HA       MET  13  -3.338   5.008  -2.948
   97    HB2  MET  13           2HB      MET  13  -6.006   4.680  -2.799
   98    HB3  MET  13           1HB      MET  13  -5.924   6.430  -2.643
   99    HG2  MET  13           2HG      MET  13  -5.028   6.707  -4.758
  100    HG3  MET  13           1HG      MET  13  -4.451   5.044  -4.841
  101    HE1  MET  13           3HE      MET  13  -8.272   7.031  -5.625
  102    HE2  MET  13           1HE      MET  13  -7.355   6.754  -7.107
  103    HE3  MET  13           2HE      MET  13  -6.592   7.557  -5.735
  104    H    LEU  14           H        LEU  14  -2.607   7.061  -3.536
  105    HA   LEU  14           HA       LEU  14  -2.479   8.976  -1.307
  106    HB2  LEU  14           2HB      LEU  14  -0.522   9.889  -2.762
  107    HB3  LEU  14           1HB      LEU  14  -0.284   8.468  -1.762
  108    HG   LEU  14           HG       LEU  14  -1.125   8.044  -4.585
  109   HD11  LEU  14          1HD1      LEU  14   0.949   8.444  -5.526
  110   HD12  LEU  14          2HD1      LEU  14   1.772   8.450  -3.966
  111   HD13  LEU  14          3HD1      LEU  14   0.758   9.815  -4.434
  112   HD21  LEU  14          3HD2      LEU  14   0.403   6.114  -4.328
  113   HD22  LEU  14          1HD2      LEU  14  -0.892   6.133  -3.131
  114   HD23  LEU  14          2HD2      LEU  14   0.736   6.634  -2.676
  115    H    ARG  15           H        ARG  15  -1.921  11.296  -2.303
  116    HA   ARG  15           HA       ARG  15  -4.296  12.243  -3.436
  117    HB2  ARG  15           2HB      ARG  15  -1.556  13.461  -3.162
  118    HB3  ARG  15           1HB      ARG  15  -2.894  14.340  -3.890
  119    HG2  ARG  15           2HG      ARG  15  -3.921  14.687  -1.916
  120    HG3  ARG  15           1HG      ARG  15  -3.440  13.119  -1.267
  121    HD2  ARG  15           2HD      ARG  15  -1.637  15.516  -1.575
  122    HD3  ARG  15           1HD      ARG  15  -2.383  14.985  -0.068
  123    HE   ARG  15           HE       ARG  15  -0.799  12.959  -1.351
  124   HH11  ARG  15          1HH1      ARG  15  -0.739  15.679   0.835
  125   HH12  ARG  15          2HH1      ARG  15   0.702  15.159   1.642
  126   HH21  ARG  15          1HH2      ARG  15   1.095  12.273  -0.290
  127   HH22  ARG  15          2HH2      ARG  15   1.745  13.226   1.004
  128    H    SER  16           H        SER  16  -1.264  11.265  -4.904
  129    HA   SER  16           HA       SER  16  -1.724  12.306  -7.482
  130    HB2  SER  16           2HB      SER  16   0.099  10.291  -6.285
  131    HB3  SER  16           1HB      SER  16  -0.158  10.184  -8.026
  132    HG   SER  16           HG       SER  16   0.332  12.533  -7.994
  133    H    GLY  17           H        GLY  17  -2.806   9.396  -5.883
  134    HA2  GLY  17           2HA      GLY  17  -4.962   8.532  -6.755
  135    HA3  GLY  17           1HA      GLY  17  -4.246   8.651  -8.356
  136    H    GLN  18           H        GLN  18  -1.636   7.663  -7.338
  137    HA   GLN  18           HA       GLN  18  -2.049   4.910  -7.850
  138    HB2  GLN  18           2HB      GLN  18   0.272   6.619  -7.104
  139    HB3  GLN  18           1HB      GLN  18   0.428   4.884  -6.863
  140    HG2  GLN  18           2HG      GLN  18  -0.605   5.048  -9.397
  141    HG3  GLN  18           1HG      GLN  18   0.464   6.448  -9.318
  142   HE21  GLN  18          1HE2      GLN  18   2.661   5.960  -8.367
  143   HE22  GLN  18          2HE2      GLN  18   3.420   4.496  -8.885
  144    H    CYS  19           H        CYS  19  -1.042   3.216  -6.326
  145    HA   CYS  19           HA       CYS  19  -1.920   3.744  -3.564
  146    HB2  CYS  19           2HB      CYS  19  -3.259   2.102  -5.247
  147    HB3  CYS  19           1HB      CYS  19  -2.108   0.962  -4.558
  148    H    VAL  20           H        VAL  20  -0.191   3.737  -2.293
  149    HA   VAL  20           HA       VAL  20   2.076   2.000  -2.957
  150    HB   VAL  20           HB       VAL  20   1.968   4.205  -0.896
  151   HG11  VAL  20          1HG1      VAL  20   4.487   4.081  -1.246
  152   HG12  VAL  20          2HG1      VAL  20   4.188   2.538  -2.043
  153   HG13  VAL  20          3HG1      VAL  20   3.740   2.759  -0.352
  154   HG21  VAL  20          3HG2      VAL  20   1.738   4.621  -3.559
  155   HG22  VAL  20          1HG2      VAL  20   3.491   4.620  -3.377
  156   HG23  VAL  20          2HG2      VAL  20   2.509   5.748  -2.444
  157    H    ALA  21           H        ALA  21   2.771   0.390  -1.642
  158    HA   ALA  21           HA       ALA  21   0.969  -0.451   0.472
  159    HB1  ALA  21           1HB      ALA  21   3.223  -1.740  -1.009
  160    HB2  ALA  21           2HB      ALA  21   1.544  -2.257  -0.851
  161    HB3  ALA  21           3HB      ALA  21   2.652  -2.430   0.511
  162    H    THR  22           H        THR  22   1.319  -0.196   2.582
  163    HA   THR  22           HA       THR  22   3.477   1.350   3.549
  164    HB   THR  22           HB       THR  22   1.862  -0.418   5.350
  165    HG1  THR  22           1HG      THR  22   0.112   0.360   4.524
  166   HG21  THR  22          3HG2      THR  22   1.729   2.127   6.310
  167   HG22  THR  22          1HG2      THR  22   3.339   2.083   5.593
  168   HG23  THR  22          2HG2      THR  22   2.889   0.899   6.821
  169    H    THR  23           H        THR  23   5.481   0.516   3.258
  170    HA   THR  23           HA       THR  23   6.118  -1.906   4.775
  171    HB   THR  23           HB       THR  23   7.260  -1.444   2.022
  172    HG1  THR  23           1HG      THR  23   5.433  -2.109   1.273
  173   HG21  THR  23          3HG2      THR  23   7.192  -3.831   3.845
  174   HG22  THR  23          1HG2      THR  23   8.605  -2.940   3.280
  175   HG23  THR  23          2HG2      THR  23   7.658  -3.901   2.145
  176    H    GLU  24           H        GLU  24   6.511   0.936   5.265
  177    HA   GLU  24           HA       GLU  24   9.239   1.600   4.761
  178    HB2  GLU  24           2HB      GLU  24   6.997   2.783   6.311
  179    HB3  GLU  24           1HB      GLU  24   8.626   3.253   6.777
  180    HG2  GLU  24           2HG      GLU  24   8.739   3.538   4.078
  181    HG3  GLU  24           1HG      GLU  24   7.061   3.963   4.409
  182    HA   PRO  25           HA       PRO  25   9.723   0.761   9.641
  183    HB2  PRO  25           2HB      PRO  25   7.893  -1.394  10.116
  184    HB3  PRO  25           1HB      PRO  25   7.936   0.190  10.888
  185    HG2  PRO  25           2HG      PRO  25   6.242  -0.777   8.680
  186    HG3  PRO  25           1HG      PRO  25   5.967   0.556   9.813
  187    HD2  PRO  25           2HD      PRO  25   6.571   0.962   7.212
  188    HD3  PRO  25           1HD      PRO  25   7.094   2.074   8.493
  189    HA   PRO  26           HA       PRO  26  10.524  -3.894   8.641
  190    HB2  PRO  26           2HB      PRO  26   9.408  -4.915   6.374
  191    HB3  PRO  26           1HB      PRO  26   8.626  -4.986   7.958
  192    HG2  PRO  26           2HG      PRO  26   8.173  -3.066   5.705
  193    HG3  PRO  26           1HG      PRO  26   6.983  -3.879   6.740
  194    HD2  PRO  26           2HD      PRO  26   7.715  -1.316   7.140
  195    HD3  PRO  26           1HD      PRO  26   7.301  -2.399   8.484
  196    H    PHE  27           H        PHE  27  11.468  -5.152   6.522
  197    HA   PHE  27           HA       PHE  27  12.730  -3.217   4.737
  198    HB2  PHE  27           2HB      PHE  27  14.061  -4.533   6.935
  199    HB3  PHE  27           1HB      PHE  27  14.783  -5.019   5.405
  200    HD1  PHE  27           1HD      PHE  27  14.820  -2.763   3.737
  201    HD2  PHE  27           2HD      PHE  27  15.279  -2.898   7.966
  202    HE1  PHE  27           1HE      PHE  27  16.083  -0.654   3.663
  203    HE2  PHE  27           2HE      PHE  27  16.543  -0.788   7.900
  204    HZ   PHE  27           HZ       PHE  27  16.947   0.336   5.746
  205    H    ASP  28           H        ASP  28  14.406  -4.730   3.330
  206    HA   ASP  28           HA       ASP  28  12.679  -6.325   1.745
  207    HB2  ASP  28           2HB      ASP  28  15.550  -5.564   1.679
  208    HB3  ASP  28           1HB      ASP  28  15.091  -7.011   0.786
  209    HA   PRO  29           HA       PRO  29  15.302 -10.113   3.290
  210    HB2  PRO  29           2HB      PRO  29  16.733  -9.643   5.602
  211    HB3  PRO  29           1HB      PRO  29  17.417  -9.626   3.975
  212    HG2  PRO  29           2HG      PRO  29  16.556  -7.341   5.695
  213    HG3  PRO  29           1HG      PRO  29  17.953  -7.470   4.611
  214    HD2  PRO  29           2HD      PRO  29  15.734  -6.108   3.927
  215    HD3  PRO  29           1HD      PRO  29  16.695  -7.000   2.730
  216    H    ASP  30           H        ASP  30  15.140  -8.450   6.410
  217    HA   ASP  30           HA       ASP  30  12.523  -9.153   7.101
  218    HB2  ASP  30           2HB      ASP  30  13.356 -11.463   6.951
  219    HB3  ASP  30           1HB      ASP  30  14.610 -11.086   8.129
  220    H    SER  31           H        SER  31  15.549  -9.538   8.917
  221    HA   SER  31           HA       SER  31  15.537  -7.001  10.112
  222    HB2  SER  31           2HB      SER  31  14.921  -7.946  12.482
  223    HB3  SER  31           1HB      SER  31  13.640  -7.434  11.383
  224    HG   SER  31           HG       SER  31  13.613  -9.652  12.495
  225    H    TYR  32           H        TYR  32  15.976 -10.102  11.763
  226    HA   TYR  32           HA       TYR  32  18.706  -9.411  12.395
  227    HB2  TYR  32           2HB      TYR  32  16.901 -10.730  13.820
  228    HB3  TYR  32           1HB      TYR  32  17.584 -12.116  12.977
  229    HD1  TYR  32           1HD      TYR  32  20.157 -12.390  13.098
  230    HD2  TYR  32           2HD      TYR  32  17.923  -9.925  15.749
  231    HE1  TYR  32           1HE      TYR  32  22.005 -12.466  14.718
  232    HE2  TYR  32           2HE      TYR  32  19.766  -9.994  17.377
  233    HH   TYR  32           HH       TYR  32  22.753 -10.726  16.743
  Start of MODEL   17
    1    H1   SER   1           1HT      SER   1 -12.928   9.360   0.627
    2    H2   SER   1           2HT      SER   1 -13.296   9.351  -1.049
    3    H3   SER   1           3HT      SER   1 -12.016   8.380  -0.443
    4    HA   SER   1           HA       SER   1 -13.426   6.928   0.593
    5    HB2  SER   1           2HB      SER   1 -15.909   7.454   0.703
    6    HB3  SER   1           1HB      SER   1 -14.876   8.471   1.707
    7    HG   SER   1           HG       SER   1 -15.022  10.089   0.142
    8    H    VAL   2           H        VAL   2 -12.489   7.384  -2.109
    9    HA   VAL   2           HA       VAL   2 -14.536   6.850  -3.995
   10    HB   VAL   2           HB       VAL   2 -12.367   7.799  -4.650
   11   HG11  VAL   2          1HG1      VAL   2 -10.349   6.751  -4.436
   12   HG12  VAL   2          2HG1      VAL   2 -11.056   5.137  -4.492
   13   HG13  VAL   2          3HG1      VAL   2 -11.175   6.100  -3.019
   14   HG21  VAL   2          3HG2      VAL   2 -12.115   6.617  -6.699
   15   HG22  VAL   2          1HG2      VAL   2 -13.818   6.517  -6.252
   16   HG23  VAL   2          2HG2      VAL   2 -12.756   5.133  -5.995
   17    H    GLN   3           H        GLN   3 -14.775   4.871  -5.256
   18    HA   GLN   3           HA       GLN   3 -15.346   2.638  -3.716
   19    HB2  GLN   3           2HB      GLN   3 -15.283   1.411  -5.978
   20    HB3  GLN   3           1HB      GLN   3 -16.419   2.740  -5.791
   21    HG2  GLN   3           2HG      GLN   3 -13.788   3.501  -6.838
   22    HG3  GLN   3           1HG      GLN   3 -14.731   2.436  -7.880
   23   HE21  GLN   3          1HE2      GLN   3 -14.320   4.690  -9.016
   24   HE22  GLN   3          2HE2      GLN   3 -15.663   5.773  -8.921
   25    H    ILE   4           H        ILE   4 -14.358   0.368  -4.585
   26    HA   ILE   4           HA       ILE   4 -11.440   0.499  -4.551
   27    HB   ILE   4           HB       ILE   4 -12.086   0.301  -2.195
   28   HG12  ILE   4          2HG1      ILE   4 -11.138  -2.448  -2.718
   29   HG13  ILE   4          1HG1      ILE   4 -10.209  -1.170  -3.496
   30   HG21  ILE   4          1HG2      ILE   4 -13.166  -2.424  -2.508
   31   HG22  ILE   4          2HG2      ILE   4 -14.216  -1.107  -3.031
   32   HG23  ILE   4          3HG2      ILE   4 -13.609  -1.148  -1.375
   33   HD11  ILE   4          3HD1      ILE   4 -10.860  -0.963  -0.595
   34   HD12  ILE   4          1HD1      ILE   4  -9.503  -0.286  -1.496
   35   HD13  ILE   4          2HD1      ILE   4  -9.549  -2.012  -1.134
   36    H    LEU   5           H        LEU   5 -12.524  -0.082  -6.807
   37    HA   LEU   5           HA       LEU   5 -13.416  -2.727  -7.213
   38    HB2  LEU   5           2HB      LEU   5 -12.735  -2.264  -9.636
   39    HB3  LEU   5           1HB      LEU   5 -13.996  -1.280  -8.926
   40    HG   LEU   5           HG       LEU   5 -12.122  -0.199 -10.395
   41   HD11  LEU   5          1HD1      LEU   5 -12.401   1.478  -8.043
   42   HD12  LEU   5          2HD1      LEU   5 -13.926   0.745  -8.548
   43   HD13  LEU   5          3HD1      LEU   5 -12.992   1.715  -9.687
   44   HD21  LEU   5          3HD2      LEU   5 -10.777  -0.062  -7.707
   45   HD22  LEU   5          1HD2      LEU   5 -10.193   0.563  -9.247
   46   HD23  LEU   5          2HD2      LEU   5 -10.289  -1.177  -8.984
   47    H    ARG   6           H        ARG   6 -10.310  -1.543  -6.527
   48    HA   ARG   6           HA       ARG   6  -9.146  -4.106  -6.597
   49    HB2  ARG   6           2HB      ARG   6  -9.298  -3.392  -9.095
   50    HB3  ARG   6           1HB      ARG   6  -7.947  -2.337  -8.704
   51    HG2  ARG   6           2HG      ARG   6  -6.631  -4.061  -9.174
   52    HG3  ARG   6           1HG      ARG   6  -7.185  -4.773  -7.657
   53    HD2  ARG   6           2HD      ARG   6  -8.773  -6.109  -8.726
   54    HD3  ARG   6           1HD      ARG   6  -8.739  -5.133 -10.195
   55    HE   ARG   6           HE       ARG   6  -7.097  -7.361  -9.614
   56   HH11  ARG   6          1HH1      ARG   6  -7.008  -4.216 -11.126
   57   HH12  ARG   6          2HH1      ARG   6  -5.724  -4.636 -12.210
   58   HH21  ARG   6          1HH2      ARG   6  -5.410  -7.915 -11.040
   59   HH22  ARG   6          2HH2      ARG   6  -4.817  -6.735 -12.162
   60    H    CYS   7           H        CYS   7  -8.111  -3.817  -4.727
   61    HA   CYS   7           HA       CYS   7  -5.843  -2.051  -4.637
   62    HB2  CYS   7           2HB      CYS   7  -8.312  -1.491  -3.032
   63    HB3  CYS   7           1HB      CYS   7  -6.732  -1.114  -2.352
   64    HA   PRO   8           HA       PRO   8  -5.772  -6.248  -2.387
   65    HB2  PRO   8           2HB      PRO   8  -3.119  -6.117  -3.742
   66    HB3  PRO   8           1HB      PRO   8  -4.203  -7.495  -3.523
   67    HG2  PRO   8           2HG      PRO   8  -4.019  -6.278  -5.882
   68    HG3  PRO   8           1HG      PRO   8  -5.582  -6.857  -5.277
   69    HD2  PRO   8           2HD      PRO   8  -4.513  -4.077  -5.415
   70    HD3  PRO   8           1HD      PRO   8  -6.177  -4.661  -5.618
   71    H    ASP   9           H        ASP   9  -3.752  -6.998  -1.049
   72    HA   ASP   9           HA       ASP   9  -3.280  -5.067   0.926
   73    HB2  ASP   9           2HB      ASP   9  -1.605  -6.688   1.809
   74    HB3  ASP   9           1HB      ASP   9  -3.165  -7.424   1.456
   75    H    GLY  10           H        GLY  10  -1.834  -3.479   1.106
   76    HA2  GLY  10           2HA      GLY  10   0.426  -2.663   0.921
   77    HA3  GLY  10           1HA      GLY  10   0.590  -3.587  -0.565
   78    H    MET  11           H        MET  11  -2.091  -2.698  -1.489
   79    HA   MET  11           HA       MET  11  -1.223  -0.125  -2.559
   80    HB2  MET  11           2HB      MET  11  -2.291  -2.264  -3.816
   81    HB3  MET  11           1HB      MET  11  -3.754  -1.340  -3.498
   82    HG2  MET  11           2HG      MET  11  -3.285  -0.330  -5.427
   83    HG3  MET  11           1HG      MET  11  -2.115   0.586  -4.479
   84    HE1  MET  11           3HE      MET  11  -1.122  -3.110  -7.033
   85    HE2  MET  11           1HE      MET  11  -2.712  -2.656  -6.421
   86    HE3  MET  11           2HE      MET  11  -1.503  -3.324  -5.324
   87    H    GLN  12           H        GLN  12  -1.680   1.379  -1.008
   88    HA   GLN  12           HA       GLN  12  -4.358   1.453   0.150
   89    HB2  GLN  12           2HB      GLN  12  -1.726   2.661   0.821
   90    HB3  GLN  12           1HB      GLN  12  -3.164   3.562   1.282
   91    HG2  GLN  12           2HG      GLN  12  -2.925   2.339   3.161
   92    HG3  GLN  12           1HG      GLN  12  -3.872   1.181   2.227
   93   HE21  GLN  12          1HE2      GLN  12  -2.472   0.166   4.221
   94   HE22  GLN  12          2HE2      GLN  12  -1.073  -0.677   3.660
   95    H    MET  13           H        MET  13  -5.750   3.216  -0.045
   96    HA   MET  13           HA       MET  13  -5.742   4.512  -2.565
   97    HB2  MET  13           2HB      MET  13  -7.429   4.761  -0.092
   98    HB3  MET  13           1HB      MET  13  -7.642   5.875  -1.436
   99    HG2  MET  13           2HG      MET  13  -8.007   3.909  -2.918
  100    HG3  MET  13           1HG      MET  13  -7.970   2.886  -1.482
  101    HE1  MET  13           3HE      MET  13  -9.669   1.910  -0.968
  102    HE2  MET  13           1HE      MET  13 -11.307   2.228  -1.542
  103    HE3  MET  13           2HE      MET  13 -10.828   2.728   0.080
  104    H    LEU  14           H        LEU  14  -5.665   6.785  -2.998
  105    HA   LEU  14           HA       LEU  14  -3.864   8.217  -1.164
  106    HB2  LEU  14           2HB      LEU  14  -4.291   8.536  -4.135
  107    HB3  LEU  14           1HB      LEU  14  -3.263   9.576  -3.167
  108    HG   LEU  14           HG       LEU  14  -2.837   6.604  -3.477
  109   HD11  LEU  14          1HD1      LEU  14  -2.247   7.192  -5.571
  110   HD12  LEU  14          2HD1      LEU  14  -0.769   7.728  -4.774
  111   HD13  LEU  14          3HD1      LEU  14  -2.038   8.893  -5.153
  112   HD21  LEU  14          3HD2      LEU  14  -0.468   7.537  -2.757
  113   HD22  LEU  14          1HD2      LEU  14  -1.695   7.100  -1.568
  114   HD23  LEU  14          2HD2      LEU  14  -1.461   8.790  -2.012
  115    H    ARG  15           H        ARG  15  -4.075  10.692  -1.429
  116    HA   ARG  15           HA       ARG  15  -6.572  11.480  -0.455
  117    HB2  ARG  15           2HB      ARG  15  -5.765  13.802  -0.833
  118    HB3  ARG  15           1HB      ARG  15  -4.607  12.791   0.015
  119    HG2  ARG  15           2HG      ARG  15  -3.729  12.396  -2.463
  120    HG3  ARG  15           1HG      ARG  15  -4.466  13.983  -2.688
  121    HD2  ARG  15           2HD      ARG  15  -2.302  14.523  -2.076
  122    HD3  ARG  15           1HD      ARG  15  -3.164  14.619  -0.541
  123    HE   ARG  15           HE       ARG  15  -1.933  12.846   0.221
  124   HH11  ARG  15          1HH1      ARG  15  -1.611  13.034  -3.249
  125   HH12  ARG  15          2HH1      ARG  15  -0.377  11.823  -3.325
  126   HH21  ARG  15          1HH2      ARG  15  -0.310  11.251   0.123
  127   HH22  ARG  15          2HH2      ARG  15   0.361  10.809  -1.411
  128    H    SER  16           H        SER  16  -5.318  11.344  -3.716
  129    HA   SER  16           HA       SER  16  -7.454  12.874  -4.871
  130    HB2  SER  16           2HB      SER  16  -5.978  11.046  -6.646
  131    HB3  SER  16           1HB      SER  16  -6.236  12.784  -6.779
  132    HG   SER  16           HG       SER  16  -4.633  12.933  -5.021
  133    H    GLY  17           H        GLY  17  -6.821   9.501  -4.212
  134    HA2  GLY  17           2HA      GLY  17  -9.008   8.263  -3.900
  135    HA3  GLY  17           1HA      GLY  17  -9.366   8.797  -5.534
  136    H    GLN  18           H        GLN  18  -6.508   8.408  -6.318
  137    HA   GLN  18           HA       GLN  18  -6.721   5.847  -7.407
  138    HB2  GLN  18           2HB      GLN  18  -4.217   7.467  -6.911
  139    HB3  GLN  18           1HB      GLN  18  -4.341   6.089  -7.995
  140    HG2  GLN  18           2HG      GLN  18  -5.946   8.613  -8.298
  141    HG3  GLN  18           1HG      GLN  18  -4.413   8.309  -9.114
  142   HE21  GLN  18          1HE2      GLN  18  -4.326   6.853 -10.795
  143   HE22  GLN  18          2HE2      GLN  18  -5.740   6.210 -11.551
  144    H    CYS  19           H        CYS  19  -4.834   4.191  -7.071
  145    HA   CYS  19           HA       CYS  19  -4.619   3.670  -4.178
  146    HB2  CYS  19           2HB      CYS  19  -6.012   2.140  -5.920
  147    HB3  CYS  19           1HB      CYS  19  -4.428   1.381  -6.047
  148    H    VAL  20           H        VAL  20  -2.590   4.323  -3.705
  149    HA   VAL  20           HA       VAL  20  -0.382   3.854  -5.493
  150    HB   VAL  20           HB       VAL  20  -0.441   5.873  -4.100
  151   HG11  VAL  20          1HG1      VAL  20  -1.544   5.032  -2.134
  152   HG12  VAL  20          2HG1      VAL  20   0.028   5.689  -1.674
  153   HG13  VAL  20          3HG1      VAL  20  -0.196   3.944  -1.797
  154   HG21  VAL  20          3HG2      VAL  20   1.715   5.145  -4.847
  155   HG22  VAL  20          1HG2      VAL  20   1.834   3.980  -3.530
  156   HG23  VAL  20          2HG2      VAL  20   1.871   5.708  -3.184
  157    H    ALA  21           H        ALA  21   1.098   2.262  -5.422
  158    HA   ALA  21           HA       ALA  21   0.569  -0.024  -3.752
  159    HB1  ALA  21           1HB      ALA  21   1.380   0.041  -6.222
  160    HB2  ALA  21           2HB      ALA  21   1.989  -1.207  -5.136
  161    HB3  ALA  21           3HB      ALA  21   2.981   0.204  -5.499
  162    H    THR  22           H        THR  22   0.984   1.000  -1.684
  163    HA   THR  22           HA       THR  22   3.688   1.811  -1.068
  164    HB   THR  22           HB       THR  22   1.737   1.305   1.110
  165    HG1  THR  22           1HG      THR  22   0.236   2.289   0.007
  166   HG21  THR  22          3HG2      THR  22   3.583   2.425   1.900
  167   HG22  THR  22          1HG2      THR  22   2.450   3.741   1.591
  168   HG23  THR  22          2HG2      THR  22   3.745   3.403   0.442
  169    H    THR  23           H        THR  23   4.788  -0.158  -1.575
  170    HA   THR  23           HA       THR  23   4.229  -2.473   0.100
  171    HB   THR  23           HB       THR  23   6.379  -3.255  -1.286
  172    HG1  THR  23           1HG      THR  23   6.508  -2.238  -3.232
  173   HG21  THR  23          3HG2      THR  23   4.074  -4.213  -1.417
  174   HG22  THR  23          1HG2      THR  23   4.981  -4.229  -2.929
  175   HG23  THR  23          2HG2      THR  23   3.724  -3.021  -2.668
  176    H    GLU  24           H        GLU  24   4.862  -0.759   1.880
  177    HA   GLU  24           HA       GLU  24   7.753  -0.800   2.340
  178    HB2  GLU  24           2HB      GLU  24   5.513   0.919   3.254
  179    HB3  GLU  24           1HB      GLU  24   6.838   0.676   4.384
  180    HG2  GLU  24           2HG      GLU  24   8.404   1.632   2.906
  181    HG3  GLU  24           1HG      GLU  24   7.272   1.578   1.555
  182    HA   PRO  25           HA       PRO  25   6.526  -4.307   5.023
  183    HB2  PRO  25           2HB      PRO  25   9.029  -5.377   5.140
  184    HB3  PRO  25           1HB      PRO  25   7.898  -5.698   3.818
  185    HG2  PRO  25           2HG      PRO  25  10.178  -3.758   3.934
  186    HG3  PRO  25           1HG      PRO  25   9.702  -4.849   2.619
  187    HD2  PRO  25           2HD      PRO  25   9.088  -2.223   2.596
  188    HD3  PRO  25           1HD      PRO  25   8.007  -3.450   1.905
  189    HA   PRO  26           HA       PRO  26   7.919  -2.866   8.954
  190    HB2  PRO  26           2HB      PRO  26   8.519  -5.131  10.325
  191    HB3  PRO  26           1HB      PRO  26   6.863  -4.652   9.943
  192    HG2  PRO  26           2HG      PRO  26   8.629  -6.631   8.556
  193    HG3  PRO  26           1HG      PRO  26   6.910  -6.763   8.969
  194    HD2  PRO  26           2HD      PRO  26   7.761  -6.130   6.480
  195    HD3  PRO  26           1HD      PRO  26   6.248  -5.497   7.158
  196    H    PHE  27           H        PHE  27   9.766  -3.591  10.733
  197    HA   PHE  27           HA       PHE  27  12.178  -2.656   9.667
  198    HB2  PHE  27           2HB      PHE  27  11.216  -2.991  12.180
  199    HB3  PHE  27           1HB      PHE  27  12.365  -4.322  12.103
  200    HD1  PHE  27           2HD      PHE  27  12.109  -0.668  11.441
  201    HD2  PHE  27           1HD      PHE  27  14.590  -3.933  12.578
  202    HE1  PHE  27           2HE      PHE  27  13.946   0.898  11.915
  203    HE2  PHE  27           1HE      PHE  27  16.432  -2.373  13.057
  204    HZ   PHE  27           HZ       PHE  27  16.111   0.046  12.724
  205    H    ASP  28           H        ASP  28  14.074  -3.648   9.059
  206    HA   ASP  28           HA       ASP  28  13.920  -6.113   7.759
  207    HB2  ASP  28           2HB      ASP  28  16.108  -4.244   8.502
  208    HB3  ASP  28           1HB      ASP  28  16.574  -5.886   8.068
  209    HA   PRO  29           HA       PRO  29  14.607  -9.105  10.924
  210    HB2  PRO  29           2HB      PRO  29  15.874 -11.067   9.572
  211    HB3  PRO  29           1HB      PRO  29  14.172 -10.678   9.296
  212    HG2  PRO  29           2HG      PRO  29  16.577  -9.880   7.706
  213    HG3  PRO  29           1HG      PRO  29  14.995 -10.440   7.135
  214    HD2  PRO  29           2HD      PRO  29  15.719  -7.813   7.199
  215    HD3  PRO  29           1HD      PRO  29  14.040  -8.364   7.368
  216    H    ASP  30           H        ASP  30  16.026  -8.156  12.376
  217    HA   ASP  30           HA       ASP  30  18.889  -8.307  11.819
  218    HB2  ASP  30           2HB      ASP  30  17.577  -6.261  12.849
  219    HB3  ASP  30           1HB      ASP  30  17.791  -7.156  14.350
  220    H    SER  31           H        SER  31  18.332 -10.768  11.985
  221    HA   SER  31           HA       SER  31  18.404 -11.682  14.760
  222    HB2  SER  31           2HB      SER  31  16.932 -12.650  12.763
  223    HB3  SER  31           1HB      SER  31  18.387 -13.605  12.482
  224    HG   SER  31           HG       SER  31  18.101 -14.627  14.341
  225    H    TYR  32           H        TYR  32  20.702 -10.366  13.587
  226    HA   TYR  32           HA       TYR  32  22.962 -10.578  13.436
  227    HB2  TYR  32           2HB      TYR  32  22.717 -11.438  15.710
  228    HB3  TYR  32           1HB      TYR  32  22.410 -13.055  15.085
  229    HD1  TYR  32           1HD      TYR  32  25.010 -10.450  14.392
  230    HD2  TYR  32           2HD      TYR  32  24.176 -14.466  15.526
  231    HE1  TYR  32           1HE      TYR  32  27.422 -10.925  14.462
  232    HE2  TYR  32           2HE      TYR  32  26.586 -14.951  15.599
  233    HH   TYR  32           HH       TYR  32  28.954 -12.522  15.525
  Start of MODEL   18
    1    H1   SER   1           1HT      SER   1 -17.530   1.347  -2.338
    2    H2   SER   1           2HT      SER   1 -17.293   3.022  -2.620
    3    H3   SER   1           3HT      SER   1 -15.945   1.962  -2.559
    4    HA   SER   1           HA       SER   1 -18.036   2.168  -4.607
    5    HB2  SER   1           2HB      SER   1 -15.648   2.123  -5.868
    6    HB3  SER   1           1HB      SER   1 -16.393   3.609  -5.280
    7    HG   SER   1           HG       SER   1 -14.509   3.749  -4.305
    8    H    VAL   2           H        VAL   2 -16.937   0.768  -6.577
    9    HA   VAL   2           HA       VAL   2 -16.221  -1.883  -5.594
   10    HB   VAL   2           HB       VAL   2 -18.511  -1.539  -7.528
   11   HG11  VAL   2          1HG1      VAL   2 -17.082  -3.840  -6.318
   12   HG12  VAL   2          2HG1      VAL   2 -17.776  -3.656  -7.929
   13   HG13  VAL   2          3HG1      VAL   2 -18.824  -3.987  -6.550
   14   HG21  VAL   2          3HG2      VAL   2 -19.480  -0.736  -5.589
   15   HG22  VAL   2          1HG2      VAL   2 -18.496  -1.764  -4.547
   16   HG23  VAL   2          2HG2      VAL   2 -19.821  -2.464  -5.477
   17    H    GLN   3           H        GLN   3 -14.780   0.160  -7.038
   18    HA   GLN   3           HA       GLN   3 -14.658  -0.306  -9.796
   19    HB2  GLN   3           2HB      GLN   3 -12.319   0.482  -8.060
   20    HB3  GLN   3           1HB      GLN   3 -12.561   0.849  -9.762
   21    HG2  GLN   3           2HG      GLN   3 -14.582   2.182  -9.062
   22    HG3  GLN   3           1HG      GLN   3 -14.030   1.980  -7.400
   23   HE21  GLN   3          1HE2      GLN   3 -12.463   2.731 -10.499
   24   HE22  GLN   3          2HE2      GLN   3 -11.636   4.139  -9.933
   25    H    ILE   4           H        ILE   4 -12.113  -0.950 -10.492
   26    HA   ILE   4           HA       ILE   4 -11.900  -3.764  -9.646
   27    HB   ILE   4           HB       ILE   4 -10.934  -2.633 -12.268
   28   HG12  ILE   4          2HG1      ILE   4 -13.239  -4.369 -12.480
   29   HG13  ILE   4          1HG1      ILE   4 -13.610  -2.968 -11.479
   30   HG21  ILE   4          1HG2      ILE   4 -11.325  -5.219 -12.746
   31   HG22  ILE   4          2HG2      ILE   4 -11.014  -5.314 -11.013
   32   HG23  ILE   4          3HG2      ILE   4  -9.812  -4.598 -12.087
   33   HD11  ILE   4          3HD1      ILE   4 -13.907  -1.782 -13.315
   34   HD12  ILE   4          1HD1      ILE   4 -13.424  -3.155 -14.311
   35   HD13  ILE   4          2HD1      ILE   4 -12.208  -2.018 -13.726
   36    H    LEU   5           H        LEU   5 -10.632  -1.499  -8.334
   37    HA   LEU   5           HA       LEU   5  -7.941  -2.521  -8.292
   38    HB2  LEU   5           2HB      LEU   5  -8.323  -0.558 -10.098
   39    HB3  LEU   5           1HB      LEU   5  -7.994   0.412  -8.675
   40    HG   LEU   5           HG       LEU   5  -6.132  -1.810  -9.426
   41   HD11  LEU   5          1HD1      LEU   5  -5.634   0.951 -10.420
   42   HD12  LEU   5          2HD1      LEU   5  -6.683  -0.117 -11.352
   43   HD13  LEU   5          3HD1      LEU   5  -5.018  -0.591 -11.012
   44   HD21  LEU   5          3HD2      LEU   5  -5.701   0.854  -8.080
   45   HD22  LEU   5          1HD2      LEU   5  -4.511  -0.433  -8.275
   46   HD23  LEU   5          2HD2      LEU   5  -5.919  -0.682  -7.243
   47    H    ARG   6           H        ARG   6  -9.830  -2.619  -6.336
   48    HA   ARG   6           HA       ARG   6  -9.927  -0.494  -4.529
   49    HB2  ARG   6           2HB      ARG   6 -10.410  -3.411  -4.409
   50    HB3  ARG   6           1HB      ARG   6 -10.103  -2.620  -2.869
   51    HG2  ARG   6           2HG      ARG   6 -12.017  -1.199  -4.553
   52    HG3  ARG   6           1HG      ARG   6 -12.533  -2.824  -4.096
   53    HD2  ARG   6           2HD      ARG   6 -11.569  -0.716  -2.168
   54    HD3  ARG   6           1HD      ARG   6 -13.263  -1.074  -2.502
   55    HE   ARG   6           HE       ARG   6 -11.731  -3.361  -1.667
   56   HH11  ARG   6          1HH1      ARG   6 -13.619  -0.629  -0.593
   57   HH12  ARG   6          2HH1      ARG   6 -14.020  -1.345   0.930
   58   HH21  ARG   6          1HH2      ARG   6 -12.259  -4.306   0.337
   59   HH22  ARG   6          2HH2      ARG   6 -13.248  -3.434   1.460
   60    H    CYS   7           H        CYS   7  -9.023  -1.160  -2.107
   61    HA   CYS   7           HA       CYS   7  -6.151  -1.693  -2.376
   62    HB2  CYS   7           2HB      CYS   7  -7.404   0.836  -1.637
   63    HB3  CYS   7           1HB      CYS   7  -6.264   0.272  -0.421
   64    HA   PRO   8           HA       PRO   8  -8.149  -3.915   1.229
   65    HB2  PRO   8           2HB      PRO   8  -7.015  -6.335   0.054
   66    HB3  PRO   8           1HB      PRO   8  -8.695  -5.976   0.455
   67    HG2  PRO   8           2HG      PRO   8  -7.811  -6.187  -2.098
   68    HG3  PRO   8           1HG      PRO   8  -9.147  -5.121  -1.628
   69    HD2  PRO   8           2HD      PRO   8  -6.278  -4.442  -2.163
   70    HD3  PRO   8           1HD      PRO   8  -7.750  -3.570  -2.640
   71    H    ASP   9           H        ASP   9  -6.709  -6.160   2.114
   72    HA   ASP   9           HA       ASP   9  -4.610  -4.965   3.537
   73    HB2  ASP   9           2HB      ASP   9  -5.388  -7.834   3.057
   74    HB3  ASP   9           1HB      ASP   9  -3.968  -7.418   4.012
   75    H    GLY  10           H        GLY  10  -3.231  -3.944   2.054
   76    HA2  GLY  10           2HA      GLY  10  -0.866  -5.026   1.411
   77    HA3  GLY  10           1HA      GLY  10  -1.858  -5.545   0.057
   78    H    MET  11           H        MET  11  -3.451  -2.996   0.316
   79    HA   MET  11           HA       MET  11  -1.467  -1.058  -0.630
   80    HB2  MET  11           2HB      MET  11  -4.048  -1.642  -2.093
   81    HB3  MET  11           1HB      MET  11  -2.804  -0.495  -2.569
   82    HG2  MET  11           2HG      MET  11  -1.244  -2.295  -2.972
   83    HG3  MET  11           1HG      MET  11  -2.421  -3.474  -2.397
   84    HE1  MET  11           3HE      MET  11  -1.687  -3.933  -6.138
   85    HE2  MET  11           1HE      MET  11  -0.693  -3.348  -4.804
   86    HE3  MET  11           2HE      MET  11  -1.180  -2.244  -6.090
   87    H    GLN  12           H        GLN  12  -1.858   1.003  -0.021
   88    HA   GLN  12           HA       GLN  12  -4.379   1.515   1.418
   89    HB2  GLN  12           2HB      GLN  12  -1.742   2.919   1.862
   90    HB3  GLN  12           1HB      GLN  12  -3.190   3.029   2.854
   91    HG2  GLN  12           2HG      GLN  12  -2.164   0.311   2.543
   92    HG3  GLN  12           1HG      GLN  12  -1.054   1.418   3.352
   93   HE21  GLN  12          1HE2      GLN  12  -4.582   1.022   3.365
   94   HE22  GLN  12          2HE2      GLN  12  -4.734   0.893   5.080
   95    H    MET  13           H        MET  13  -4.117   4.275   1.686
   96    HA   MET  13           HA       MET  13  -4.612   5.117  -1.074
   97    HB2  MET  13           2HB      MET  13  -6.426   5.453   0.556
   98    HB3  MET  13           1HB      MET  13  -5.360   6.457   1.530
   99    HG2  MET  13           2HG      MET  13  -5.165   7.764  -0.788
  100    HG3  MET  13           1HG      MET  13  -6.773   7.070  -0.988
  101    HE1  MET  13           3HE      MET  13  -5.446   8.313   2.762
  102    HE2  MET  13           1HE      MET  13  -5.358   9.989   2.218
  103    HE3  MET  13           2HE      MET  13  -4.416   8.744   1.396
  104    H    LEU  14           H        LEU  14  -3.594   6.869  -1.999
  105    HA   LEU  14           HA       LEU  14  -1.013   7.542  -0.917
  106    HB2  LEU  14           2HB      LEU  14  -2.487   8.163  -3.447
  107    HB3  LEU  14           1HB      LEU  14  -1.064   9.097  -3.023
  108    HG   LEU  14           HG       LEU  14  -1.062   6.093  -3.251
  109   HD11  LEU  14          1HD1      LEU  14  -0.999   8.153  -5.320
  110   HD12  LEU  14          2HD1      LEU  14  -1.293   6.419  -5.449
  111   HD13  LEU  14          3HD1      LEU  14   0.360   7.031  -5.388
  112   HD21  LEU  14          3HD2      LEU  14   1.311   6.285  -3.236
  113   HD22  LEU  14          1HD2      LEU  14   0.705   7.226  -1.873
  114   HD23  LEU  14          2HD2      LEU  14   1.230   8.045  -3.343
  115    H    ARG  15           H        ARG  15  -0.281   9.842  -0.861
  116    HA   ARG  15           HA       ARG  15  -1.719  11.323   0.996
  117    HB2  ARG  15           2HB      ARG  15  -0.216  13.240   0.249
  118    HB3  ARG  15           1HB      ARG  15   0.587  11.779   0.809
  119    HG2  ARG  15           2HG      ARG  15   0.073  11.864  -2.076
  120    HG3  ARG  15           1HG      ARG  15   1.187  13.095  -1.481
  121    HD2  ARG  15           2HD      ARG  15   1.951  10.737  -0.197
  122    HD3  ARG  15           1HD      ARG  15   1.600  10.261  -1.858
  123    HE   ARG  15           HE       ARG  15   3.789  11.879  -0.943
  124   HH11  ARG  15          1HH1      ARG  15   1.752  11.108  -3.669
  125   HH12  ARG  15          2HH1      ARG  15   2.911  11.631  -4.843
  126   HH21  ARG  15          1HH2      ARG  15   5.314  12.570  -2.486
  127   HH22  ARG  15          2HH2      ARG  15   4.934  12.463  -4.172
  128    H    SER  16           H        SER  16  -2.028  11.179  -2.445
  129    HA   SER  16           HA       SER  16  -3.641  13.606  -2.547
  130    HB2  SER  16           2HB      SER  16  -3.784  12.643  -5.063
  131    HB3  SER  16           1HB      SER  16  -2.447  13.641  -4.489
  132    HG   SER  16           HG       SER  16  -1.163  11.930  -4.446
  133    H    GLY  17           H        GLY  17  -3.961  10.127  -2.654
  134    HA2  GLY  17           2HA      GLY  17  -6.305   9.570  -1.732
  135    HA3  GLY  17           1HA      GLY  17  -6.844  10.395  -3.186
  136    H    GLN  18           H        GLN  18  -4.407   9.233  -4.602
  137    HA   GLN  18           HA       GLN  18  -5.663   7.100  -5.866
  138    HB2  GLN  18           2HB      GLN  18  -2.926   8.209  -5.792
  139    HB3  GLN  18           1HB      GLN  18  -3.048   6.536  -6.320
  140    HG2  GLN  18           2HG      GLN  18  -3.133   7.851  -8.266
  141    HG3  GLN  18           1HG      GLN  18  -4.783   7.300  -7.973
  142   HE21  GLN  18          1HE2      GLN  18  -4.022   9.528  -9.557
  143   HE22  GLN  18          2HE2      GLN  18  -4.689  10.944  -8.824
  144    H    CYS  19           H        CYS  19  -4.075   4.926  -6.005
  145    HA   CYS  19           HA       CYS  19  -4.278   3.811  -3.290
  146    HB2  CYS  19           2HB      CYS  19  -5.108   2.853  -5.888
  147    HB3  CYS  19           1HB      CYS  19  -4.024   1.696  -5.122
  148    H    VAL  20           H        VAL  20  -2.429   3.502  -2.270
  149    HA   VAL  20           HA       VAL  20   0.041   3.175  -3.815
  150    HB   VAL  20           HB       VAL  20   0.022   4.959  -2.121
  151   HG11  VAL  20          1HG1      VAL  20   0.085   4.257   0.298
  152   HG12  VAL  20          2HG1      VAL  20  -0.531   2.689  -0.226
  153   HG13  VAL  20          3HG1      VAL  20  -1.490   4.144  -0.490
  154   HG21  VAL  20          3HG2      VAL  20   2.145   4.515  -1.206
  155   HG22  VAL  20          1HG2      VAL  20   2.090   3.605  -2.717
  156   HG23  VAL  20          2HG2      VAL  20   1.858   2.774  -1.178
  157    H    ALA  21           H        ALA  21   1.632   1.600  -3.071
  158    HA   ALA  21           HA       ALA  21   0.328  -0.870  -2.192
  159    HB1  ALA  21           1HB      ALA  21   1.777  -2.030  -3.488
  160    HB2  ALA  21           2HB      ALA  21   3.121  -0.937  -3.157
  161    HB3  ALA  21           3HB      ALA  21   1.888  -0.489  -4.336
  162    H    THR  22           H        THR  22   1.028  -2.038  -0.440
  163    HA   THR  22           HA       THR  22   2.140  -0.669   1.722
  164    HB   THR  22           HB       THR  22   1.978  -3.652   1.250
  165    HG1  THR  22           1HG      THR  22   0.050  -3.483   2.384
  166   HG21  THR  22          3HG2      THR  22   3.489  -3.219   3.083
  167   HG22  THR  22          1HG2      THR  22   1.962  -3.861   3.687
  168   HG23  THR  22          2HG2      THR  22   2.311  -2.139   3.829
  169    H    THR  23           H        THR  23   4.080   0.303   1.179
  170    HA   THR  23           HA       THR  23   6.393  -1.445   1.306
  171    HB   THR  23           HB       THR  23   7.027   0.462  -0.709
  172    HG1  THR  23           1HG      THR  23   5.146   0.638  -1.636
  173   HG21  THR  23          3HG2      THR  23   6.962  -2.471  -0.450
  174   HG22  THR  23          1HG2      THR  23   8.250  -1.401  -1.002
  175   HG23  THR  23          2HG2      THR  23   6.926  -1.822  -2.089
  176    H    GLU  24           H        GLU  24   5.135   0.529   3.035
  177    HA   GLU  24           HA       GLU  24   6.741   2.904   2.982
  178    HB2  GLU  24           2HB      GLU  24   4.403   2.009   4.337
  179    HB3  GLU  24           1HB      GLU  24   5.570   2.501   5.555
  180    HG2  GLU  24           2HG      GLU  24   5.248   4.341   3.285
  181    HG3  GLU  24           1HG      GLU  24   3.851   4.176   4.348
  182    HA   PRO  25           HA       PRO  25   8.950   0.954   6.772
  183    HB2  PRO  25           2HB      PRO  25   8.322  -1.562   7.531
  184    HB3  PRO  25           1HB      PRO  25   7.424  -0.150   8.100
  185    HG2  PRO  25           2HG      PRO  25   6.735  -2.078   5.916
  186    HG3  PRO  25           1HG      PRO  25   5.690  -1.389   7.170
  187    HD2  PRO  25           2HD      PRO  25   5.759  -0.452   4.619
  188    HD3  PRO  25           1HD      PRO  25   5.391   0.577   6.017
  189    HA   PRO  26           HA       PRO  26  11.503  -1.131   3.632
  190    HB2  PRO  26           2HB      PRO  26  13.883  -0.296   4.656
  191    HB3  PRO  26           1HB      PRO  26  12.875   0.710   3.609
  192    HG2  PRO  26           2HG      PRO  26  13.120   0.732   6.593
  193    HG3  PRO  26           1HG      PRO  26  13.046   2.100   5.466
  194    HD2  PRO  26           2HD      PRO  26  10.900   1.283   6.890
  195    HD3  PRO  26           1HD      PRO  26  10.752   1.968   5.259
  196    H    PHE  27           H        PHE  27  13.886  -2.232   4.200
  197    HA   PHE  27           HA       PHE  27  13.207  -4.579   5.614
  198    HB2  PHE  27           2HB      PHE  27  16.020  -3.718   4.958
  199    HB3  PHE  27           1HB      PHE  27  15.378  -5.350   5.070
  200    HD1  PHE  27           1HD      PHE  27  13.868  -6.208   3.298
  201    HD2  PHE  27           2HD      PHE  27  15.894  -2.481   2.945
  202    HE1  PHE  27           1HE      PHE  27  13.459  -6.218   0.871
  203    HE2  PHE  27           2HE      PHE  27  15.488  -2.486   0.519
  204    HZ   PHE  27           HZ       PHE  27  14.269  -4.356  -0.520
  205    H    ASP  28           H        ASP  28  12.525  -3.525   7.644
  206    HA   ASP  28           HA       ASP  28  14.250  -2.178   9.368
  207    HB2  ASP  28           2HB      ASP  28  12.032  -4.030  10.237
  208    HB3  ASP  28           1HB      ASP  28  12.647  -2.615  11.083
  209    HA   PRO  29           HA       PRO  29  17.202  -5.537  10.081
  210    HB2  PRO  29           2HB      PRO  29  17.910  -3.632  12.267
  211    HB3  PRO  29           1HB      PRO  29  18.963  -4.468  11.118
  212    HG2  PRO  29           2HG      PRO  29  18.393  -1.888  10.806
  213    HG3  PRO  29           1HG      PRO  29  18.505  -2.973   9.406
  214    HD2  PRO  29           2HD      PRO  29  16.094  -1.817  10.723
  215    HD3  PRO  29           1HD      PRO  29  16.376  -2.196   9.012
  216    H    ASP  30           H        ASP  30  15.632  -7.030  10.843
  217    HA   ASP  30           HA       ASP  30  14.721  -6.827  13.588
  218    HB2  ASP  30           2HB      ASP  30  13.523  -8.944  13.086
  219    HB3  ASP  30           1HB      ASP  30  13.149  -7.663  11.938
  220    H    SER  31           H        SER  31  16.985  -8.725  11.687
  221    HA   SER  31           HA       SER  31  18.654  -9.311  13.853
  222    HB2  SER  31           2HB      SER  31  16.504 -11.292  13.308
  223    HB3  SER  31           1HB      SER  31  18.118 -11.927  13.628
  224    HG   SER  31           HG       SER  31  16.711 -10.108  15.295
  225    H    TYR  32           H        TYR  32  17.621 -11.541  11.302
  226    HA   TYR  32           HA       TYR  32  19.917 -10.855   9.664
  227    HB2  TYR  32           2HB      TYR  32  20.616 -13.291   9.565
  228    HB3  TYR  32           1HB      TYR  32  20.988 -12.449  11.067
  229    HD1  TYR  32           2HD      TYR  32  18.747 -14.918   9.488
  230    HD2  TYR  32           1HD      TYR  32  20.009 -13.129  13.135
  231    HE1  TYR  32           2HE      TYR  32  17.557 -16.662  10.748
  232    HE2  TYR  32           1HE      TYR  32  18.824 -14.868  14.406
  233    HH   TYR  32           HH       TYR  32  17.868 -17.697  13.203
  Start of MODEL   19
    1    H1   SER   1           1HT      SER   1 -19.034   1.375  -4.634
    2    H2   SER   1           2HT      SER   1 -20.575   1.446  -5.385
    3    H3   SER   1           3HT      SER   1 -19.172   1.919  -6.254
    4    HA   SER   1           HA       SER   1 -19.918  -0.776  -5.344
    5    HB2  SER   1           2HB      SER   1 -19.935   0.742  -7.902
    6    HB3  SER   1           1HB      SER   1 -19.440  -0.948  -7.987
    7    HG   SER   1           HG       SER   1 -21.445  -1.338  -6.725
    8    H    VAL   2           H        VAL   2 -18.383  -2.297  -6.808
    9    HA   VAL   2           HA       VAL   2 -15.773  -1.959  -5.677
   10    HB   VAL   2           HB       VAL   2 -16.775  -4.186  -5.886
   11   HG11  VAL   2          1HG1      VAL   2 -17.667  -3.435  -8.301
   12   HG12  VAL   2          2HG1      VAL   2 -17.501  -5.121  -7.811
   13   HG13  VAL   2          3HG1      VAL   2 -16.245  -4.357  -8.785
   14   HG21  VAL   2          3HG2      VAL   2 -14.789  -5.232  -6.205
   15   HG22  VAL   2          1HG2      VAL   2 -14.191  -3.572  -6.186
   16   HG23  VAL   2          2HG2      VAL   2 -14.467  -4.395  -7.723
   17    H    GLN   3           H        GLN   3 -14.392  -0.539  -6.518
   18    HA   GLN   3           HA       GLN   3 -14.386  -0.018  -9.385
   19    HB2  GLN   3           2HB      GLN   3 -14.020   1.606  -7.179
   20    HB3  GLN   3           1HB      GLN   3 -12.384   1.388  -7.785
   21    HG2  GLN   3           2HG      GLN   3 -13.074   2.181  -9.978
   22    HG3  GLN   3           1HG      GLN   3 -14.729   2.365  -9.400
   23   HE21  GLN   3          1HE2      GLN   3 -13.635   4.516 -10.482
   24   HE22  GLN   3          2HE2      GLN   3 -13.200   5.682  -9.285
   25    H    ILE   4           H        ILE   4 -11.887   0.578 -10.040
   26    HA   ILE   4           HA       ILE   4 -10.473  -1.972  -9.722
   27    HB   ILE   4           HB       ILE   4  -9.137  -1.001 -11.732
   28   HG12  ILE   4          2HG1      ILE   4 -10.433   0.464 -13.193
   29   HG13  ILE   4          1HG1      ILE   4 -11.730   0.530 -12.003
   30   HG21  ILE   4          1HG2      ILE   4 -11.867  -2.207 -11.758
   31   HG22  ILE   4          2HG2      ILE   4 -10.312  -2.949 -12.128
   32   HG23  ILE   4          3HG2      ILE   4 -11.049  -1.829 -13.273
   33   HD11  ILE   4          3HD1      ILE   4 -10.597   1.967 -10.650
   34   HD12  ILE   4          1HD1      ILE   4  -9.949   2.449 -12.218
   35   HD13  ILE   4          2HD1      ILE   4  -9.014   1.386 -11.168
   36    H    LEU   5           H        LEU   5 -10.372   0.182  -7.756
   37    HA   LEU   5           HA       LEU   5  -7.512   0.322  -7.481
   38    HB2  LEU   5           2HB      LEU   5  -7.661   2.872  -7.115
   39    HB3  LEU   5           1HB      LEU   5  -7.555   2.256  -8.753
   40    HG   LEU   5           HG       LEU   5 -10.149   2.408  -8.728
   41   HD11  LEU   5          1HD1      LEU   5 -10.889   2.973  -6.675
   42   HD12  LEU   5          2HD1      LEU   5 -10.561   4.610  -7.245
   43   HD13  LEU   5          3HD1      LEU   5  -9.382   3.777  -6.232
   44   HD21  LEU   5          3HD2      LEU   5  -9.921   4.926  -9.236
   45   HD22  LEU   5          1HD2      LEU   5  -9.030   3.776 -10.233
   46   HD23  LEU   5          2HD2      LEU   5  -8.199   4.668  -8.959
   47    H    ARG   6           H        ARG   6  -9.795  -0.779  -6.047
   48    HA   ARG   6           HA       ARG   6 -10.519   0.724  -3.805
   49    HB2  ARG   6           2HB      ARG   6 -10.462  -2.176  -4.478
   50    HB3  ARG   6           1HB      ARG   6 -10.668  -1.734  -2.790
   51    HG2  ARG   6           2HG      ARG   6 -12.409  -0.737  -5.032
   52    HG3  ARG   6           1HG      ARG   6 -12.795  -2.110  -3.992
   53    HD2  ARG   6           2HD      ARG   6 -13.329  -0.795  -2.234
   54    HD3  ARG   6           1HD      ARG   6 -12.068   0.382  -2.599
   55    HE   ARG   6           HE       ARG   6 -14.263   0.411  -4.459
   56   HH11  ARG   6          1HH1      ARG   6 -13.066   1.642  -1.420
   57   HH12  ARG   6          2HH1      ARG   6 -14.061   3.058  -1.460
   58   HH21  ARG   6          1HH2      ARG   6 -15.572   2.274  -4.511
   59   HH22  ARG   6          2HH2      ARG   6 -15.484   3.418  -3.213
   60    H    CYS   7           H        CYS   7  -9.894  -0.476  -1.511
   61    HA   CYS   7           HA       CYS   7  -6.954  -0.342  -1.357
   62    HB2  CYS   7           2HB      CYS   7  -8.950   0.682   0.672
   63    HB3  CYS   7           1HB      CYS   7  -7.200   0.703   0.860
   64    HA   PRO   8           HA       PRO   8  -8.376  -4.472   0.254
   65    HB2  PRO   8           2HB      PRO   8  -5.819  -5.315  -0.948
   66    HB3  PRO   8           1HB      PRO   8  -7.438  -5.985  -1.168
   67    HG2  PRO   8           2HG      PRO   8  -6.220  -4.586  -3.107
   68    HG3  PRO   8           1HG      PRO   8  -7.972  -4.493  -2.849
   69    HD2  PRO   8           2HD      PRO   8  -5.829  -2.561  -2.040
   70    HD3  PRO   8           1HD      PRO   8  -7.444  -2.241  -2.706
   71    H    ASP   9           H        ASP   9  -6.991  -6.070   1.562
   72    HA   ASP   9           HA       ASP   9  -5.759  -4.637   3.681
   73    HB2  ASP   9           2HB      ASP   9  -5.244  -6.919   4.580
   74    HB3  ASP   9           1HB      ASP   9  -6.941  -6.675   4.178
   75    H    GLY  10           H        GLY  10  -4.071  -3.502   2.549
   76    HA2  GLY  10           2HA      GLY  10  -1.536  -4.239   2.948
   77    HA3  GLY  10           1HA      GLY  10  -1.890  -5.081   1.447
   78    H    MET  11           H        MET  11  -3.755  -2.764   0.746
   79    HA   MET  11           HA       MET  11  -1.642  -1.063  -0.362
   80    HB2  MET  11           2HB      MET  11  -4.552  -1.304  -1.151
   81    HB3  MET  11           1HB      MET  11  -3.345  -0.321  -1.969
   82    HG2  MET  11           2HG      MET  11  -2.139  -2.730  -2.042
   83    HG3  MET  11           1HG      MET  11  -3.833  -3.216  -2.088
   84    HE1  MET  11           3HE      MET  11  -4.278  -4.125  -4.262
   85    HE2  MET  11           1HE      MET  11  -4.557  -3.102  -5.672
   86    HE3  MET  11           2HE      MET  11  -5.445  -2.805  -4.178
   87    H    GLN  12           H        GLN  12  -1.263   0.826   0.569
   88    HA   GLN  12           HA       GLN  12  -3.347   2.018   2.248
   89    HB2  GLN  12           2HB      GLN  12  -1.504   3.385   3.189
   90    HB3  GLN  12           1HB      GLN  12  -1.248   1.658   3.385
   91    HG2  GLN  12           2HG      GLN  12   0.734   1.868   2.439
   92    HG3  GLN  12           1HG      GLN  12  -0.051   2.371   0.943
   93   HE21  GLN  12          1HE2      GLN  12   2.447   3.278   1.603
   94   HE22  GLN  12          2HE2      GLN  12   2.376   4.965   1.967
   95    H    MET  13           H        MET  13  -3.871   4.233   2.090
   96    HA   MET  13           HA       MET  13  -4.069   5.218  -0.547
   97    HB2  MET  13           2HB      MET  13  -4.407   6.830   1.982
   98    HB3  MET  13           1HB      MET  13  -5.132   7.142   0.410
   99    HG2  MET  13           2HG      MET  13  -6.800   5.687   0.744
  100    HG3  MET  13           1HG      MET  13  -5.763   4.520   1.558
  101    HE1  MET  13           3HE      MET  13  -5.672   5.784   5.209
  102    HE2  MET  13           1HE      MET  13  -4.498   5.754   3.893
  103    HE3  MET  13           2HE      MET  13  -5.514   4.346   4.201
  104    H    LEU  14           H        LEU  14  -3.160   7.135  -1.458
  105    HA   LEU  14           HA       LEU  14  -0.559   7.880  -0.288
  106    HB2  LEU  14           2HB      LEU  14   0.390   8.048  -2.473
  107    HB3  LEU  14           1HB      LEU  14  -0.365   6.472  -2.326
  108    HG   LEU  14           HG       LEU  14  -1.925   8.689  -3.575
  109   HD11  LEU  14          1HD1      LEU  14  -0.898   7.704  -5.776
  110   HD12  LEU  14          2HD1      LEU  14   0.475   7.356  -4.725
  111   HD13  LEU  14          3HD1      LEU  14  -0.094   9.013  -4.911
  112   HD21  LEU  14          3HD2      LEU  14  -1.864   5.963  -4.678
  113   HD22  LEU  14          1HD2      LEU  14  -3.231   7.030  -4.352
  114   HD23  LEU  14          2HD2      LEU  14  -2.500   6.105  -3.039
  115    H    ARG  15           H        ARG  15   0.216   9.965  -1.690
  116    HA   ARG  15           HA       ARG  15  -1.312  12.096  -0.731
  117    HB2  ARG  15           2HB      ARG  15   0.767  12.051  -2.923
  118    HB3  ARG  15           1HB      ARG  15   0.129  13.515  -2.187
  119    HG2  ARG  15           2HG      ARG  15   1.090  12.978  -0.083
  120    HG3  ARG  15           1HG      ARG  15   1.512  11.352  -0.623
  121    HD2  ARG  15           2HD      ARG  15   3.373  13.109  -0.544
  122    HD3  ARG  15           1HD      ARG  15   3.232  12.125  -1.997
  123    HE   ARG  15           HE       ARG  15   2.649  14.966  -1.738
  124   HH11  ARG  15          1HH1      ARG  15   2.564  12.102  -3.740
  125   HH12  ARG  15          2HH1      ARG  15   2.393  12.990  -5.214
  126   HH21  ARG  15          1HH2      ARG  15   2.424  16.129  -3.680
  127   HH22  ARG  15          2HH2      ARG  15   2.313  15.274  -5.181
  128    H    SER  16           H        SER  16  -1.179  10.631  -3.943
  129    HA   SER  16           HA       SER  16  -2.777  12.488  -5.293
  130    HB2  SER  16           2HB      SER  16  -2.020   9.636  -5.740
  131    HB3  SER  16           1HB      SER  16  -3.341  10.303  -6.695
  132    HG   SER  16           HG       SER  16  -0.741  10.613  -7.069
  133    H    GLY  17           H        GLY  17  -3.605   9.828  -3.184
  134    HA2  GLY  17           2HA      GLY  17  -5.770  10.158  -2.007
  135    HA3  GLY  17           1HA      GLY  17  -6.461  10.474  -3.590
  136    H    GLN  18           H        GLN  18  -5.036   8.390  -4.957
  137    HA   GLN  18           HA       GLN  18  -6.825   6.253  -4.557
  138    HB2  GLN  18           2HB      GLN  18  -4.944   6.982  -6.488
  139    HB3  GLN  18           1HB      GLN  18  -4.364   5.442  -5.869
  140    HG2  GLN  18           2HG      GLN  18  -5.801   5.138  -7.803
  141    HG3  GLN  18           1HG      GLN  18  -6.512   4.416  -6.361
  142   HE21  GLN  18          1HE2      GLN  18  -8.356   5.318  -5.470
  143   HE22  GLN  18          2HE2      GLN  18  -9.326   6.471  -6.315
  144    H    CYS  19           H        CYS  19  -5.320   3.937  -4.650
  145    HA   CYS  19           HA       CYS  19  -3.914   3.933  -2.064
  146    HB2  CYS  19           2HB      CYS  19  -6.251   2.383  -2.939
  147    HB3  CYS  19           1HB      CYS  19  -4.972   1.410  -2.224
  148    H    VAL  20           H        VAL  20  -1.869   3.358  -2.328
  149    HA   VAL  20           HA       VAL  20  -1.132   1.687  -4.621
  150    HB   VAL  20           HB       VAL  20   0.725   3.197  -2.782
  151   HG11  VAL  20          1HG1      VAL  20   2.218   3.008  -4.830
  152   HG12  VAL  20          2HG1      VAL  20   1.068   1.812  -5.428
  153   HG13  VAL  20          3HG1      VAL  20   1.933   1.526  -3.918
  154   HG21  VAL  20          3HG2      VAL  20  -0.409   4.962  -3.706
  155   HG22  VAL  20          1HG2      VAL  20  -0.811   4.078  -5.178
  156   HG23  VAL  20          2HG2      VAL  20   0.822   4.698  -4.941
  157    H    ALA  21           H        ALA  21   0.422  -0.034  -4.339
  158    HA   ALA  21           HA       ALA  21  -0.217  -1.720  -2.140
  159    HB1  ALA  21           1HB      ALA  21   0.802  -3.365  -3.311
  160    HB2  ALA  21           2HB      ALA  21   2.170  -2.349  -3.762
  161    HB3  ALA  21           3HB      ALA  21   0.642  -2.205  -4.630
  162    H    THR  22           H        THR  22   0.847  -2.117  -0.281
  163    HA   THR  22           HA       THR  22   2.765  -0.258   0.656
  164    HB   THR  22           HB       THR  22   1.200  -1.368   2.168
  165    HG1  THR  22           1HG      THR  22   3.873  -2.118   2.742
  166   HG21  THR  22          3HG2      THR  22   2.728  -3.896   2.182
  167   HG22  THR  22          1HG2      THR  22   1.569  -3.656   0.874
  168   HG23  THR  22          2HG2      THR  22   1.032  -3.587   2.553
  169    H    THR  23           H        THR  23   4.673  -0.216  -0.420
  170    HA   THR  23           HA       THR  23   6.138  -2.742  -0.732
  171    HB   THR  23           HB       THR  23   6.979  -0.137  -1.965
  172    HG1  THR  23           1HG      THR  23   5.232  -0.145  -3.098
  173   HG21  THR  23          3HG2      THR  23   7.663  -1.709  -3.816
  174   HG22  THR  23          1HG2      THR  23   7.351  -3.024  -2.684
  175   HG23  THR  23          2HG2      THR  23   8.582  -1.817  -2.314
  176    H    GLU  24           H        GLU  24   5.882  -1.291   1.793
  177    HA   GLU  24           HA       GLU  24   8.434  -0.043   2.271
  178    HB2  GLU  24           2HB      GLU  24   6.413  -0.869   4.347
  179    HB3  GLU  24           1HB      GLU  24   7.623   0.398   4.453
  180    HG2  GLU  24           2HG      GLU  24   6.162   1.214   2.308
  181    HG3  GLU  24           1HG      GLU  24   4.934   0.458   3.323
  182    HA   PRO  25           HA       PRO  25  10.594  -3.692   3.519
  183    HB2  PRO  25           2HB      PRO  25  12.455  -2.634   5.169
  184    HB3  PRO  25           1HB      PRO  25  12.497  -2.401   3.417
  185    HG2  PRO  25           2HG      PRO  25  11.507  -0.549   5.552
  186    HG3  PRO  25           1HG      PRO  25  12.492  -0.184   4.124
  187    HD2  PRO  25           2HD      PRO  25   9.812   0.268   4.230
  188    HD3  PRO  25           1HD      PRO  25  10.665  -0.125   2.725
  189    HA   PRO  26           HA       PRO  26   8.135  -4.643   7.230
  190    HB2  PRO  26           2HB      PRO  26   9.593  -7.209   6.815
  191    HB3  PRO  26           1HB      PRO  26   7.872  -6.925   7.101
  192    HG2  PRO  26           2HG      PRO  26   8.755  -7.547   4.669
  193    HG3  PRO  26           1HG      PRO  26   7.463  -6.352   4.890
  194    HD2  PRO  26           2HD      PRO  26  10.347  -5.931   4.243
  195    HD3  PRO  26           1HD      PRO  26   8.921  -5.037   3.680
  196    H    PHE  27           H        PHE  27   8.891  -6.104   9.246
  197    HA   PHE  27           HA       PHE  27  11.354  -4.837  10.181
  198    HB2  PHE  27           2HB      PHE  27   8.998  -4.855  11.398
  199    HB3  PHE  27           1HB      PHE  27   9.582  -6.402  12.002
  200    HD1  PHE  27           2HD      PHE  27  10.957  -2.963  11.508
  201    HD2  PHE  27           1HD      PHE  27  10.547  -6.336  14.072
  202    HE1  PHE  27           2HE      PHE  27  12.244  -1.793  13.249
  203    HE2  PHE  27           1HE      PHE  27  11.831  -5.170  15.816
  204    HZ   PHE  27           HZ       PHE  27  12.682  -2.896  15.407
  205    H    ASP  28           H        ASP  28  11.363  -7.155   8.399
  206    HA   ASP  28           HA       ASP  28  12.261  -9.349  10.081
  207    HB2  ASP  28           2HB      ASP  28  11.472  -9.025   7.256
  208    HB3  ASP  28           1HB      ASP  28  12.773 -10.178   7.540
  209    HA   PRO  29           HA       PRO  29  16.403  -8.471   7.881
  210    HB2  PRO  29           2HB      PRO  29  16.600  -6.572   5.992
  211    HB3  PRO  29           1HB      PRO  29  15.992  -8.192   5.622
  212    HG2  PRO  29           2HG      PRO  29  14.467  -5.661   6.097
  213    HG3  PRO  29           1HG      PRO  29  14.207  -6.908   4.865
  214    HD2  PRO  29           2HD      PRO  29  12.762  -6.737   7.181
  215    HD3  PRO  29           1HD      PRO  29  13.034  -8.253   6.300
  216    H    ASP  30           H        ASP  30  18.159  -6.814   7.996
  217    HA   ASP  30           HA       ASP  30  17.740  -4.191   8.874
  218    HB2  ASP  30           2HB      ASP  30  16.898  -5.740  10.853
  219    HB3  ASP  30           1HB      ASP  30  18.619  -5.814  11.219
  220    H    SER  31           H        SER  31  19.858  -6.870   9.863
  221    HA   SER  31           HA       SER  31  22.041  -6.127   8.278
  222    HB2  SER  31           2HB      SER  31  23.444  -5.409  10.441
  223    HB3  SER  31           1HB      SER  31  22.599  -4.230   9.439
  224    HG   SER  31           HG       SER  31  21.497  -5.456  11.747
  225    H    TYR  32           H        TYR  32  21.008  -7.512  11.348
  226    HA   TYR  32           HA       TYR  32  23.193  -9.328  11.575
  227    HB2  TYR  32           2HB      TYR  32  21.141  -8.487  13.236
  228    HB3  TYR  32           1HB      TYR  32  20.741 -10.171  12.915
  229    HD1  TYR  32           2HD      TYR  32  22.974 -11.745  13.013
  230    HD2  TYR  32           1HD      TYR  32  22.367  -8.109  15.141
  231    HE1  TYR  32           2HE      TYR  32  24.625 -12.456  14.690
  232    HE2  TYR  32           1HE      TYR  32  24.018  -8.812  16.822
  233    HH   TYR  32           HH       TYR  32  26.044 -10.416  16.857
  Start of MODEL   20
    1    H1   SER   1           1HT      SER   1 -16.510   5.039  -1.045
    2    H2   SER   1           2HT      SER   1 -16.482   3.328  -0.912
    3    H3   SER   1           3HT      SER   1 -17.970   4.148  -1.154
    4    HA   SER   1           HA       SER   1 -17.424   3.255  -3.188
    5    HB2  SER   1           2HB      SER   1 -18.220   5.550  -3.284
    6    HB3  SER   1           1HB      SER   1 -16.588   6.162  -3.027
    7    HG   SER   1           HG       SER   1 -16.008   5.236  -5.034
    8    H    VAL   2           H        VAL   2 -15.596   1.805  -2.562
    9    HA   VAL   2           HA       VAL   2 -12.911   2.616  -2.717
   10    HB   VAL   2           HB       VAL   2 -12.492   0.152  -3.198
   11   HG11  VAL   2          1HG1      VAL   2 -13.388  -0.503  -0.874
   12   HG12  VAL   2          2HG1      VAL   2 -13.923   1.175  -0.777
   13   HG13  VAL   2          3HG1      VAL   2 -12.211   0.805  -0.985
   14   HG21  VAL   2          3HG2      VAL   2 -14.256  -1.394  -3.094
   15   HG22  VAL   2          1HG2      VAL   2 -14.816  -0.137  -4.197
   16   HG23  VAL   2          2HG2      VAL   2 -15.401  -0.175  -2.533
   17    H    GLN   3           H        GLN   3 -11.636   3.070  -4.394
   18    HA   GLN   3           HA       GLN   3 -12.609   3.325  -7.006
   19    HB2  GLN   3           2HB      GLN   3  -9.901   3.423  -5.751
   20    HB3  GLN   3           1HB      GLN   3 -10.012   3.348  -7.505
   21    HG2  GLN   3           2HG      GLN   3 -10.065   5.582  -7.333
   22    HG3  GLN   3           1HG      GLN   3 -11.778   5.313  -7.011
   23   HE21  GLN   3          1HE2      GLN   3 -12.321   6.794  -5.561
   24   HE22  GLN   3          2HE2      GLN   3 -11.507   7.084  -4.065
   25    H    ILE   4           H        ILE   4 -11.065   2.297  -8.852
   26    HA   ILE   4           HA       ILE   4 -11.448  -0.601  -8.569
   27    HB   ILE   4           HB       ILE   4 -12.653   0.520 -10.420
   28   HG12  ILE   4          2HG1      ILE   4 -11.027  -1.023 -12.155
   29   HG13  ILE   4          1HG1      ILE   4 -10.964  -1.795 -10.573
   30   HG21  ILE   4          1HG2      ILE   4 -10.455   2.034 -10.748
   31   HG22  ILE   4          2HG2      ILE   4 -11.682   1.809 -11.995
   32   HG23  ILE   4          3HG2      ILE   4 -10.206   0.846 -12.027
   33   HD11  ILE   4          3HD1      ILE   4 -12.749  -2.694 -11.978
   34   HD12  ILE   4          1HD1      ILE   4 -13.480  -1.092 -12.066
   35   HD13  ILE   4          2HD1      ILE   4 -13.380  -1.931 -10.519
   36    H    LEU   5           H        LEU   5  -9.132   0.803  -7.499
   37    HA   LEU   5           HA       LEU   5  -7.093  -0.885  -8.618
   38    HB2  LEU   5           2HB      LEU   5  -7.161   1.185 -10.090
   39    HB3  LEU   5           1HB      LEU   5  -6.596   2.084  -8.695
   40    HG   LEU   5           HG       LEU   5  -4.688   0.241  -8.719
   41   HD11  LEU   5          1HD1      LEU   5  -4.069  -0.286 -11.054
   42   HD12  LEU   5          2HD1      LEU   5  -5.621   0.361 -11.582
   43   HD13  LEU   5          3HD1      LEU   5  -5.567  -1.064 -10.542
   44   HD21  LEU   5          3HD2      LEU   5  -3.549   1.849 -10.484
   45   HD22  LEU   5          1HD2      LEU   5  -3.907   2.377  -8.840
   46   HD23  LEU   5          2HD2      LEU   5  -4.988   2.818 -10.162
   47    H    ARG   6           H        ARG   6  -8.440  -0.383  -6.053
   48    HA   ARG   6           HA       ARG   6  -6.849   1.002  -4.238
   49    HB2  ARG   6           2HB      ARG   6  -8.062  -0.085  -2.539
   50    HB3  ARG   6           1HB      ARG   6  -9.175   0.018  -3.893
   51    HG2  ARG   6           2HG      ARG   6  -7.562  -2.428  -3.194
   52    HG3  ARG   6           1HG      ARG   6  -9.237  -2.153  -2.710
   53    HD2  ARG   6           2HD      ARG   6  -8.225  -2.292  -5.549
   54    HD3  ARG   6           1HD      ARG   6  -9.080  -3.578  -4.699
   55    HE   ARG   6           HE       ARG   6 -10.224  -1.220  -5.881
   56   HH11  ARG   6          1HH1      ARG   6 -10.655  -3.714  -3.479
   57   HH12  ARG   6          2HH1      ARG   6 -12.380  -3.561  -3.448
   58   HH21  ARG   6          1HH2      ARG   6 -12.492  -1.017  -5.842
   59   HH22  ARG   6          2HH2      ARG   6 -13.423  -2.031  -4.791
   60    H    CYS   7           H        CYS   7  -5.480   0.080  -2.512
   61    HA   CYS   7           HA       CYS   7  -3.603  -1.836  -3.661
   62    HB2  CYS   7           2HB      CYS   7  -3.400   0.047  -1.308
   63    HB3  CYS   7           1HB      CYS   7  -2.145  -1.110  -1.735
   64    HA   PRO   8           HA       PRO   8  -4.628  -5.372  -1.269
   65    HB2  PRO   8           2HB      PRO   8  -1.810  -5.354  -0.305
   66    HB3  PRO   8           1HB      PRO   8  -2.736  -6.661  -1.050
   67    HG2  PRO   8           2HG      PRO   8  -0.890  -5.316  -2.436
   68    HG3  PRO   8           1HG      PRO   8  -2.395  -5.866  -3.193
   69    HD2  PRO   8           2HD      PRO   8  -1.584  -3.126  -2.364
   70    HD3  PRO   8           1HD      PRO   8  -2.628  -3.642  -3.701
   71    H    ASP   9           H        ASP   9  -4.220  -6.323   1.024
   72    HA   ASP   9           HA       ASP   9  -5.256  -4.529   2.909
   73    HB2  ASP   9           2HB      ASP   9  -4.641  -6.344   4.576
   74    HB3  ASP   9           1HB      ASP   9  -5.675  -6.843   3.241
   75    H    GLY  10           H        GLY  10  -4.359  -3.249   4.437
   76    HA2  GLY  10           2HA      GLY  10  -2.664  -2.481   5.881
   77    HA3  GLY  10           1HA      GLY  10  -1.500  -3.458   4.998
   78    H    MET  11           H        MET  11  -3.143  -2.042   2.603
   79    HA   MET  11           HA       MET  11  -1.329   0.275   2.544
   80    HB2  MET  11           2HB      MET  11  -2.545  -1.200   0.204
   81    HB3  MET  11           1HB      MET  11  -1.382   0.116   0.114
   82    HG2  MET  11           2HG      MET  11   0.160  -1.417   1.470
   83    HG3  MET  11           1HG      MET  11  -0.962  -2.703   1.029
   84    HE1  MET  11           3HE      MET  11   2.560  -2.388  -0.438
   85    HE2  MET  11           1HE      MET  11   1.715  -3.790  -1.095
   86    HE3  MET  11           2HE      MET  11   1.499  -3.344   0.597
   87    H    GLN  12           H        GLN  12  -2.172   2.260   2.397
   88    HA   GLN  12           HA       GLN  12  -5.077   2.475   1.967
   89    HB2  GLN  12           2HB      GLN  12  -3.169   3.897   3.748
   90    HB3  GLN  12           1HB      GLN  12  -4.495   4.839   3.079
   91    HG2  GLN  12           2HG      GLN  12  -5.510   4.127   4.965
   92    HG3  GLN  12           1HG      GLN  12  -5.892   2.750   3.934
   93   HE21  GLN  12          1HE2      GLN  12  -4.706   3.652   6.871
   94   HE22  GLN  12          2HE2      GLN  12  -3.851   2.209   7.290
   95    H    MET  13           H        MET  13  -5.071   2.677  -0.265
   96    HA   MET  13           HA       MET  13  -3.439   4.720  -1.521
   97    HB2  MET  13           2HB      MET  13  -4.167   2.366  -2.462
   98    HB3  MET  13           1HB      MET  13  -5.600   3.249  -2.971
   99    HG2  MET  13           2HG      MET  13  -4.094   4.864  -4.135
  100    HG3  MET  13           1HG      MET  13  -2.747   3.790  -3.753
  101    HE1  MET  13           3HE      MET  13  -2.145   1.683  -5.826
  102    HE2  MET  13           1HE      MET  13  -1.876   3.422  -5.712
  103    HE3  MET  13           2HE      MET  13  -2.571   2.732  -7.179
  104    H    LEU  14           H        LEU  14  -4.347   6.419  -2.839
  105    HA   LEU  14           HA       LEU  14  -6.969   7.328  -1.842
  106    HB2  LEU  14           2HB      LEU  14  -5.988   9.644  -2.520
  107    HB3  LEU  14           1HB      LEU  14  -5.548   8.917  -0.986
  108    HG   LEU  14           HG       LEU  14  -3.801   8.455  -3.367
  109   HD11  LEU  14          1HD1      LEU  14  -2.935  10.521  -3.435
  110   HD12  LEU  14          2HD1      LEU  14  -3.064  10.741  -1.690
  111   HD13  LEU  14          3HD1      LEU  14  -4.471  11.009  -2.718
  112   HD21  LEU  14          3HD2      LEU  14  -3.666   7.468  -0.909
  113   HD22  LEU  14          1HD2      LEU  14  -2.831   8.994  -0.614
  114   HD23  LEU  14          2HD2      LEU  14  -2.220   7.875  -1.833
  115    H    ARG  15           H        ARG  15  -8.174   8.743  -3.326
  116    HA   ARG  15           HA       ARG  15  -8.607   7.556  -5.802
  117    HB2  ARG  15           2HB      ARG  15 -10.187   9.061  -4.538
  118    HB3  ARG  15           1HB      ARG  15  -9.247  10.428  -5.121
  119    HG2  ARG  15           2HG      ARG  15  -9.827   9.957  -7.385
  120    HG3  ARG  15           1HG      ARG  15 -10.568   8.421  -6.932
  121    HD2  ARG  15           2HD      ARG  15 -12.478   9.605  -6.951
  122    HD3  ARG  15           1HD      ARG  15 -11.947  10.139  -5.356
  123    HE   ARG  15           HE       ARG  15 -11.727  12.235  -6.213
  124   HH11  ARG  15          1HH1      ARG  15 -11.552   9.962  -8.856
  125   HH12  ARG  15          2HH1      ARG  15 -11.474  11.192 -10.073
  126   HH21  ARG  15          1HH2      ARG  15 -11.624  13.854  -7.812
  127   HH22  ARG  15          2HH2      ARG  15 -11.514  13.401  -9.480
  128    H    SER  16           H        SER  16  -6.417  10.111  -4.879
  129    HA   SER  16           HA       SER  16  -5.871  11.194  -7.405
  130    HB2  SER  16           2HB      SER  16  -4.532  11.163  -4.764
  131    HB3  SER  16           1HB      SER  16  -3.494  11.502  -6.149
  132    HG   SER  16           HG       SER  16  -4.356  13.404  -6.276
  133    H    GLY  17           H        GLY  17  -4.647   8.330  -5.779
  134    HA2  GLY  17           2HA      GLY  17  -4.068   6.554  -7.494
  135    HA3  GLY  17           1HA      GLY  17  -2.972   7.762  -8.145
  136    H    GLN  18           H        GLN  18  -2.325   8.706  -5.387
  137    HA   GLN  18           HA       GLN  18  -0.002   7.211  -4.973
  138    HB2  GLN  18           2HB      GLN  18  -1.521   9.127  -3.217
  139    HB3  GLN  18           1HB      GLN  18  -0.037   8.356  -2.674
  140    HG2  GLN  18           2HG      GLN  18   1.168   9.340  -4.552
  141    HG3  GLN  18           1HG      GLN  18  -0.321  10.106  -5.107
  142   HE21  GLN  18          1HE2      GLN  18   2.127  11.404  -4.408
  143   HE22  GLN  18          2HE2      GLN  18   1.788  12.454  -3.077
  144    H    CYS  19           H        CYS  19   0.570   5.637  -3.498
  145    HA   CYS  19           HA       CYS  19  -1.667   4.275  -2.150
  146    HB2  CYS  19           2HB      CYS  19  -0.782   2.993  -4.073
  147    HB3  CYS  19           1HB      CYS  19   0.814   3.008  -3.331
  148    H    VAL  20           H        VAL  20  -1.527   4.568  -0.029
  149    HA   VAL  20           HA       VAL  20   1.022   5.094   1.242
  150    HB   VAL  20           HB       VAL  20  -1.689   4.827   2.547
  151   HG11  VAL  20          1HG1      VAL  20   0.681   4.816   3.784
  152   HG12  VAL  20          2HG1      VAL  20  -0.757   5.569   4.475
  153   HG13  VAL  20          3HG1      VAL  20   0.444   6.558   3.645
  154   HG21  VAL  20          3HG2      VAL  20  -0.607   7.519   2.179
  155   HG22  VAL  20          1HG2      VAL  20  -2.243   6.909   1.931
  156   HG23  VAL  20          2HG2      VAL  20  -1.027   6.707   0.670
  157    H    ALA  21           H        ALA  21   1.409   2.703   0.318
  158    HA   ALA  21           HA       ALA  21   0.444   0.512   1.789
  159    HB1  ALA  21           1HB      ALA  21   1.616   0.449  -0.443
  160    HB2  ALA  21           2HB      ALA  21   2.119  -0.777   0.721
  161    HB3  ALA  21           3HB      ALA  21   3.130   0.641   0.442
  162    H    THR  22           H        THR  22   0.900  -0.216   3.764
  163    HA   THR  22           HA       THR  22   2.971   1.126   5.303
  164    HB   THR  22           HB       THR  22   1.195  -1.014   6.418
  165    HG1  THR  22           1HG      THR  22  -0.484   0.364   6.554
  166   HG21  THR  22          3HG2      THR  22   1.158   0.515   8.369
  167   HG22  THR  22          1HG2      THR  22   2.317   1.544   7.530
  168   HG23  THR  22          2HG2      THR  22   2.760  -0.105   7.971
  169    H    THR  23           H        THR  23   3.637  -0.832   3.192
  170    HA   THR  23           HA       THR  23   5.600  -2.309   4.675
  171    HB   THR  23           HB       THR  23   3.756  -3.852   4.942
  172    HG1  THR  23           1HG      THR  23   5.673  -4.887   4.535
  173   HG21  THR  23          3HG2      THR  23   3.188  -4.864   2.439
  174   HG22  THR  23          1HG2      THR  23   3.126  -3.115   2.219
  175   HG23  THR  23          2HG2      THR  23   2.122  -3.886   3.447
  176    H    GLU  24           H        GLU  24   5.613  -0.292   2.655
  177    HA   GLU  24           HA       GLU  24   6.007  -1.197   0.060
  178    HB2  GLU  24           2HB      GLU  24   6.604   1.205   1.583
  179    HB3  GLU  24           1HB      GLU  24   7.840   0.877   0.376
  180    HG2  GLU  24           2HG      GLU  24   6.359   1.083  -1.389
  181    HG3  GLU  24           1HG      GLU  24   4.950   0.803  -0.368
  182    HA   PRO  25           HA       PRO  25  10.713  -1.739   0.908
  183    HB2  PRO  25           2HB      PRO  25  11.604  -1.548   3.461
  184    HB3  PRO  25           1HB      PRO  25  11.477  -0.153   2.383
  185    HG2  PRO  25           2HG      PRO  25   9.601  -1.064   4.531
  186    HG3  PRO  25           1HG      PRO  25  10.161   0.577   4.156
  187    HD2  PRO  25           2HD      PRO  25   7.741  -0.355   3.370
  188    HD3  PRO  25           1HD      PRO  25   8.666   0.825   2.420
  189    HA   PRO  26           HA       PRO  26   9.548  -5.902   2.310
  190    HB2  PRO  26           2HB      PRO  26  10.928  -7.259   0.451
  191    HB3  PRO  26           1HB      PRO  26   9.402  -6.454   0.070
  192    HG2  PRO  26           2HG      PRO  26  12.205  -5.546  -0.455
  193    HG3  PRO  26           1HG      PRO  26  10.786  -5.463  -1.514
  194    HD2  PRO  26           2HD      PRO  26  11.713  -3.347  -0.041
  195    HD3  PRO  26           1HD      PRO  26  10.019  -3.538  -0.536
  196    H    PHE  27           H        PHE  27  10.535  -6.958   3.920
  197    HA   PHE  27           HA       PHE  27  13.377  -7.471   3.852
  198    HB2  PHE  27           2HB      PHE  27  12.384  -5.213   5.271
  199    HB3  PHE  27           1HB      PHE  27  12.895  -6.408   6.459
  200    HD1  PHE  27           2HD      PHE  27  13.992  -4.323   3.634
  201    HD2  PHE  27           1HD      PHE  27  15.194  -6.917   6.786
  202    HE1  PHE  27           2HE      PHE  27  16.331  -3.643   3.296
  203    HE2  PHE  27           1HE      PHE  27  17.537  -6.240   6.455
  204    HZ   PHE  27           HZ       PHE  27  18.108  -4.602   4.708
  205    H    ASP  28           H        ASP  28  13.012  -9.640   3.969
  206    HA   ASP  28           HA       ASP  28  11.118 -10.904   5.608
  207    HB2  ASP  28           2HB      ASP  28  13.366 -11.715   3.920
  208    HB3  ASP  28           1HB      ASP  28  13.127 -12.778   5.304
  209    HA   PRO  29           HA       PRO  29  14.967 -11.687   8.625
  210    HB2  PRO  29           2HB      PRO  29  16.327  -9.103   8.028
  211    HB3  PRO  29           1HB      PRO  29  17.024 -10.675   8.442
  212    HG2  PRO  29           2HG      PRO  29  17.090  -9.780   5.936
  213    HG3  PRO  29           1HG      PRO  29  16.794 -11.495   6.285
  214    HD2  PRO  29           2HD      PRO  29  14.873  -9.370   5.447
  215    HD3  PRO  29           1HD      PRO  29  14.908 -11.093   5.024
  216    H    ASP  30           H        ASP  30  13.088 -11.276   9.914
  217    HA   ASP  30           HA       ASP  30  12.739  -8.526  10.848
  218    HB2  ASP  30           2HB      ASP  30  10.866 -10.346  10.148
  219    HB3  ASP  30           1HB      ASP  30  10.967 -10.663  11.877
  220    H    SER  31           H        SER  31  15.074  -9.952  11.636
  221    HA   SER  31           HA       SER  31  14.892  -9.598  14.472
  222    HB2  SER  31           2HB      SER  31  14.018 -11.971  14.026
  223    HB3  SER  31           1HB      SER  31  15.677 -12.370  13.581
  224    HG   SER  31           HG       SER  31  15.928 -12.658  15.645
  225    H    TYR  32           H        TYR  32  16.404  -8.465  12.334
  226    HA   TYR  32           HA       TYR  32  18.521  -7.816  11.815
  227    HB2  TYR  32           2HB      TYR  32  18.644  -7.287  14.189
  228    HB3  TYR  32           1HB      TYR  32  19.079  -8.950  14.563
  229    HD1  TYR  32           2HD      TYR  32  20.310  -6.410  12.103
  230    HD2  TYR  32           1HD      TYR  32  21.274  -9.131  15.229
  231    HE1  TYR  32           2HE      TYR  32  22.688  -5.836  11.862
  232    HE2  TYR  32           1HE      TYR  32  23.656  -8.563  14.996
  233    HH   TYR  32           HH       TYR  32  25.166  -7.651  13.216