*HEADER    TOXIN                                   25-AUG-99   1CW6              
*TITLE     REFINED SOLUTION STRUCTURE OF LEUCOCIN A                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TYPE IIA BACTERIOCIN LEUCOCIN A;                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: LEUCOCIN A-UAL 187                                         
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: LEUCONOSTOC GELIDUM;                            
*SOURCE   3 ORGANISM_COMMON: BACTERIA                                            
*KEYWDS    ANTIMICROBIAL PEPTIDE, BACTERIOCIN                                    
*EXPDTA    NMR, 18 STRUCTURES                                                    
*AUTHOR    Y.WANG, M.E.HENZ, N.L.F.GALLAGHER, S.CHAI, L.Z.YAN,                   
*AUTHOR   2 A.C.GIBBS, M.E.STILES, D.S.WISHART, J.C.VEDERAS                      
*REVDAT   1   08-SEP-99 1CW6    0                                                
! Leu A  
 set message=on echo=on end
! Table Under Honstruct1on
! strong noe 2.3 0.5  0.5 A
! med1um noe 3.5 1.7  0.5 A
! weak   noe 4.5 2.7  0.5 A
! very weak   noe 4.5 2.7 1.5   A
! low 1.8 A , h1gh +0.5
! psudoatom h1gh boundary 1s mod1f1ed as des. wuthr1ch book
! for Phe HD HE 1.0 A, methlene group, 0.5 A
  
assign (resid  1 and name HA  )(resid  2  and name HN ) 2.3 0.5  0.5
assign (resid  1 and name HA  )(resid  2  and name HB*  ) 4.5 2.7  0.5
assign (resid  1 and name HB* )(resid  2  and name HN ) 4.5 2.7  0.5
assign (resid  1 and name HB* )(resid  3  and name HD*  ) 4.5 2.7  1.5
assign (resid  1 and name HB* )(resid  3  and name HE*  ) 4.5 2.7  1.5
assign (resid  1 and name HG* )(resid  2  and name HN ) 4.5 2.7  0.5
assign (resid  1 and name HG* )(resid  3  and name HD*  ) 4.5 2.7  1.5
assign (resid  1 and name HG* )(resid  3  and name HE*  ) 4.5 2.7  1.5
assign (resid  1 and name HG* )(resid  2  and name HN ) 4.5 2.7  0.5
assign (resid  1 and name HG* )(resid  3  and name HE*  ) 4.5 2.7  1.5
assign (resid  1 and name HD* )(resid  3  and name HE*  ) 4.5 2.7  1.5
assign (resid  1 and name HE* )(resid  3  and name HE*  ) 4.5 2.7  1.5
assign (resid  2 and name HN  )(resid  2  and name HA ) 4.5 2.7  0.5
assign (resid  2 and name HN  )(resid  2  and name HB*  ) 3.5 1.7  0.5
assign (resid  2 and name HN  )(resid  2  and name HD* ) 3.5 1.7  0.5
assign (resid  2 and name HN  )(resid  2  and name HE* ) 4.5 2.7  2.0
assign (resid  2 and name HN  )(resid  3  and name HN ) 4.5 2.7  0.5
assign (resid  2 and name HA  )(resid  2  and name HD* ) 2.3 0.5  0.5
assign (resid  2 and name HA  )(resid  2  and name HE* ) 4.5 2.7  0.5
assign (resid  2 and name HA  )(resid  3  and name HN ) 3.5 1.7  0.5
assign (resid  2 and name HA  )(resid  3  and name HB*  ) 4.5 2.7  0.5
assign (resid  2 and name HA  )(resid  3  and name HD*  ) 4.5 2.7  0.5
assign (resid  2 and name HA  )(resid  8  and name HA ) 3.5 1.7  0.5
assign (resid  2 and name HB* )(resid  3  and name HN ) 4.5 2.7  0.5
assign (resid  2 and name HB* )(resid  8  and name HD2  ) 4.5 2.7  0.5
assign (resid  2 and name HE* )(resid  3  and name HN   ) 3.5 1.7  1.5
assign (resid  2 and name HD* )(resid  3  and name HN   ) 3.5 1.7  0.5
assign (resid  2 and name HE* )(resid  4  and name HA*  ) 4.5 2.7  1.5
assign (resid  2 and name HE* )(resid  6  and name HN   ) 3.5 1.7  0.5
assign (resid  2 and name HE* )(resid  7  and name HN   ) 3.5 1.7  0.5
assign (resid  2 and name HE* )(resid  8  and name HA   ) 4.5 2.7  1.5
assign (resid  2 and name HE* )(resid  8  and name HB1  ) 4.5 2.7  2.0
assign (resid  2 and name HE* )(resid  8  and name HB2  ) 4.5 2.7  2.0
assign (resid  2 and name HE* )(resid  8  and name HD*  ) 4.5 2.7  0.5
assign (resid  2 and name HE* )(resid  8  and name HE*  ) 3.5 1.7  0.5
assign (resid  2 and name HE* )(resid 20  and name HB*  ) 4.5 2.7  0.5
assign (resid  2 and name HD* )(resid  4  and name HA*  ) 4.5 2.7  0.5
assign (resid  2 and name HD* )(resid  6  and name HN   ) 3.5 1.7  0.5
assign (resid  2 and name HD* )(resid  7  and name HN   ) 4.5 2.7  0.5
assign (resid  2 and name HD* )(resid  8  and name HA   ) 4.5 2.7  0.5
assign (resid  2 and name HD* )(resid  8  and name HB*  ) 4.5 2.7  0.5
assign (resid  2 and name HD* )(resid  8  and name HD2  ) 4.5 2.7  0.5
assign (resid  2 and name HD* )(resid  8  and name HE1  ) 4.5 2.7  1.5
assign (resid  2 and name HD* )(resid 20  and name HB*  ) 4.5 2.7  1.5
assign (resid  3 and name HN  )(resid  3  and name HA   ) 3.5 1.7  0.5
assign (resid  3 and name HN  )(resid  3  and name HB1  ) 4.5 2.7  0.5
assign (resid  3 and name HN  )(resid  3  and name HB2  ) 4.5 2.7  0.5
assign (resid  3 and name HN  )(resid  4  and name HN   ) 4.5 2.7  0.5
assign (resid  3 and name HN  )(resid  8  and name HA   ) 4.5 2.7  0.5
assign (resid  3 and name HA  )(resid  3  and name HB1  ) 3.5 1.7  0.5
assign (resid  3 and name HA  )(resid  3  and name HB2  ) 3.5 1.7  0.5
assign (resid  3 and name HA  )(resid  3  and name HD*  ) 3.5 1.7  0.5
assign (resid  3 and name HA  )(resid  3  and name HE*  ) 4.5 2.7  0.5
assign (resid  3 and name HA  )(resid  4  and name HN   ) 4.5 2.7  0.5
assign (resid  3 and name HB1 )(resid  3  and name HD*  ) 2.3 0.5  0.5
assign (resid  3 and name HB1 )(resid  3  and name HE*  ) 4.5 2.7  0.5
assign (resid  3 and name HB1 )(resid  7  and name HB   ) 3.5 1.7  0.5
assign (resid  3 and name HB1 )(resid  7  and name HG*  ) 4.5 2.7  0.5
assign (resid  3 and name HB2 )(resid  3  and name HD*  ) 2.3 0.5  0.5
assign (resid  3 and name HB2 )(resid  3  and name HE*  ) 4.5 2.7  0.5
assign (resid  3 and name HB2 )(resid  7  and name HB   ) 3.5 1.7  0.5
assign (resid  3 and name HB2 )(resid  7  and name HG*  ) 4.5 2.7  1.5
assign (resid  3 and name HD* )(resid  7  and name HB   ) 4.5 2.7  0.5
assign (resid  4 and name HN  )(resid  4  and name HA*  ) 3.5 1.7  0.5
assign (resid  4 and name HA1 )(resid  5  and name HN ) 3.5 1.7  0.5
assign (resid  4 and name HA2 )(resid  5  and name HN ) 3.5 1.7  0.5
assign (resid  5 and name HN  )(resid  5  and name HA ) 3.5 1.7  0.5
assign (resid  5 and name HN  )(resid  6  and name HN ) 4.5 2.7  0.5
assign (resid  5 and name HA  )(resid  5  and name HB1  ) 3.5 1.7  0.5
assign (resid  5 and name HA  )(resid  5  and name HB2  ) 3.5 1.7  0.5
assign (resid  5 and name HA  )(resid  5  and name HD22 ) 4.5 2.7  0.5
assign (resid  5 and name HA  )(resid  6  and name HN ) 3.5 1.7  0.5
assign (resid  5 and name HA  )(resid 21  and name HB*  ) 4.5 2.7  0.5
assign (resid  5 and name HA  )(resid 24  and name HB*  ) 3.5 1.7  0.5
assign (resid  5 and name HB1 )(resid  5  and name HD21 ) 4.5 2.7  0.5
assign (resid  5 and name HB1 )(resid  5  and name HD22 ) 4.5 2.7  0.5
assign (resid  5 and name HB* )(resid  7  and name HG1* ) 4.5 2.7  1.5
assign (resid  5 and name HB* )(resid  7  and name HG2* ) 4.5 2.7  1.5
assign (resid  5 and name HB1 )(resid  5  and name HD21 ) 4.5 2.7  0.5
assign (resid  5 and name HB2 )(resid  5  and name HD22 ) 4.5 2.7  0.5
assign (resid  6 and name HN  )(resid  6  and name HA*  ) 3.5 1.7  0.5
assign (resid  6 and name HN  )(resid  6  and name HA*  ) 3.5 1.7  0.5
assign (resid  6 and name HN  )(resid  7  and name HN   ) 3.5 1.7  0.5
assign (resid  6 and name HA* )(resid  8  and name HE*  ) 4.5 2.7  0.5
assign (resid  7 and name HN  )(resid  7  and name HA   ) 3.5 1.7  0.5
assign (resid  7 and name HN  )(resid  7  and name HB   ) 2.3 0.5  0.5
assign (resid  7 and name HN  )(resid  7  and name HG1* ) 4.5 2.7  0.5
assign (resid  7 and name HN  )(resid  7  and name HG2* ) 4.5 2.7  0.5
assign (resid  7 and name HN  )(resid  8  and name HN   ) 4.5 2.7  0.5
assign (resid  7 and name HA  )(resid  7  and name HB   ) 3.5 1.7  0.5
assign (resid  7 and name HA  )(resid  7  and name HG1* ) 2.3 0.5  0.5
assign (resid  7 and name HA  )(resid  7  and name HG1* ) 2.3 0.5  0.5
assign (resid  7 and name HA  )(resid  8  and name HN   ) 2.3 0.5  0.5
assign (resid  7 and name HA  )(resid 15  and name HN   ) 4.5 2.7  0.5
assign (resid  7 and name HA  )(resid 16  and name HA   ) 2.3 0.5  0.5
assign (resid  7 and name HA  )(resid 16  and name HG1* ) 4.5 2.7  0.5
assign (resid  7 and name HA  )(resid 16  and name HG2* ) 4.5 2.7  0.5
assign (resid  7 and name HA  )(resid 17  and name HN   ) 3.5 1.7  0.5
assign (resid  7 and name HB  )(resid  8  and name HN   ) 4.5 2.7  0.5
assign (resid  7 and name HG1*)(resid  8  and name HN   ) 4.5 2.7  0.5
assign (resid  7 and name HG2*)(resid  8  and name HN   ) 4.5 2.7  0.5
assign (resid  7 and name HG1*)(resid 16  and name HA   ) 4.5 2.7  1.5
assign (resid  7 and name HG2*)(resid 16  and name HA   ) 4.5 2.7  1.5
assign (resid  7 and name HG1*)(resid 16  and name HG1* ) 4.5 1.7  2.0
assign (resid  7 and name HG1*)(resid 16  and name HG2* ) 4.5 1.7  2.0
assign (resid  7 and name HG2*)(resid 16  and name HG1* ) 4.5 1.7  2.0
assign (resid  7 and name HG2*)(resid 16  and name HG2* ) 4.5 1.7  2.0
assign (resid  8 and name HN  )(resid  8  and name HA   ) 4.5 2.7  0.5
assign (resid  8 and name HN  )(resid  8  and name HB*  ) 3.5 1.7  0.5
assign (resid  8 and name HN  )(resid  8  and name HE1  ) 4.5 2.7  0.5
assign (resid  8 and name HN  )(resid 15  and name HN   ) 4.5 2.7  0.5
assign (resid  8 and name HN  )(resid 16  and name HA   ) 3.5 1.7  0.5
assign (resid  8 and name HA  )(resid  9  and name HN   ) 2.3 0.5  0.5
assign (resid  8 and name HA  )(resid  9  and name HB*  ) 4.5 2.7  0.5
assign (resid  8 and name HB* )(resid  8  and name HD2  ) 4.5 2.7  0.5
assign (resid  8 and name HB* )(resid 15  and name HN   ) 4.5 2.7  0.5
assign (resid  8 and name HE1 )(resid 16  and name HA   ) 4.5 2.7  0.5
assign (resid  8 and name HE1 )(resid 17  and name HB*  ) 3.5 1.7  0.5
assign (resid  8 and name HE1 )(resid 17  and name HB*  ) 3.5 1.7  0.5
assign (resid  9 and name HN  )(resid 15  and name HN ) 4.5 2.7  0.5
assign (resid  9 and name HA  )(resid  9  and name HB*  ) 2.3 0.5  0.5
assign (resid  9 and name HA  )(resid 10  and name HN ) 2.3 0.5  0.5
assign (resid  9 and name HA  )(resid 10  and name HG*  ) 4.5 2.7  0.5
assign (resid  9 and name HA  )(resid 13  and name HN ) 4.5 2.7  0.5
assign (resid  9 and name HA  )(resid 14  and name HN ) 4.5 2.7  0.5
assign (resid  9 and name HA  )(resid 14  and name HA ) 2.3 0.5  0.5
assign (resid  9 and name HA  )(resid 14  and name HB*  ) 3.5 1.7  0.5
assign (resid  9 and name HA  )(resid 15  and name HN ) 3.5 1.7  0.5
assign (resid  9 and name HB* )(resid 14  and name HA ) 3.5 1.7  0.5
assign (resid  9 and name HB* )(resid 15  and name HN ) 4.5 2.7  0.5
assign (resid 10 and name HN  )(resid 10  and name HG*  ) 4.5 2.7  0.5
assign (resid 10 and name HN  )(resid 14  and name  HA  ) 3.5 1.7  0.5
assign (resid 10 and name HN  )(resid 14  and name  HB* ) 4.5 2.7  1.5
assign (resid 10 and name HA  )(resid 10  and name  HB  ) 3.5 1.7  0.5
assign (resid 10 and name HA  )(resid 10  and name  HG* ) 3.5 1.7  0.5
assign (resid 10 and name HA  )(resid 11  and name  HN  ) 3.5 1.7  0.5
assign (resid 10 and name HA  )(resid 11  and name  HB* ) 4.5 2.7  0.5
assign (resid 10 and name HA  )(resid 12  and name  HN  ) 4.5 2.7  0.5
assign (resid 10 and name HB  )(resid 11  and name  HN  ) 4.5 2.7  0.5
assign (resid 10 and name HG* )(resid 11  and name  HN  ) 4.5 2.7  0.5
assign (resid 11 and name HN  )(resid 11  and name  HA  ) 3.5 1.7  0.5
assign (resid 11 and name HN  )(resid 11  and name  HB* ) 3.5 1.7  0.5
assign (resid 11 and name HN  )(resid 11  and name  HG* ) 3.5 1.7  0.5
assign (resid 11 and name HN  )(resid 12  and name  HN  ) 3.5 1.7  0.5
assign (resid 11 and name HA  )(resid 12  and name  HN  ) 4.5 2.7  0.5
assign (resid 11 and name HB* )(resid 12  and name  HN  ) 4.5 2.7  0.5
assign (resid 11 and name HG* )(resid 12  and name  HN  ) 3.5 1.7  0.5
assign (resid 12 and name HN  )(resid 12  and name  HA  ) 3.5 1.7  0.5
assign (resid 12 and name HN  )(resid 12  and name  HB1 ) 4.5 2.7  0.5
assign (resid 12 and name HN  )(resid 12  and name  HB2 ) 4.5 2.7  0.5
assign (resid 12 and name HN  )(resid 13  and name  HN  ) 3.5 1.7  0.5
assign (resid 12 and name HA  )(resid 12  and name  HB1 ) 2.3 0.5  0.5
assign (resid 12 and name HA  )(resid 12  and name  HB2 ) 2.3 0.5  0.5
assign (resid 12 and name HA  )(resid 13  and name  HN  ) 3.5 1.7  0.5
assign (resid 12 and name HB1 )(resid 13  and name  HN  ) 4.5 2.7  0.5
assign (resid 12 and name HB2 )(resid 13  and name  HN  ) 4.5 2.7  0.5
assign (resid 13 and name HN  )(resid 14  and name  HN  ) 4.5 2.7  0.5
assign (resid 13 and name HA1 )(resid 14  and name  HN  ) 4.5 2.7  0.5
assign (resid 13 and name HA2 )(resid 14  and name  HN  ) 3.5 1.7  0.5
assign (resid 14 and name HN  )(resid 14  and name  HA  ) 3.5 1.7  0.5
assign (resid 14 and name HN  )(resid 14  and name  HB* ) 2.3 0.5  0.5
assign (resid 14 and name HN  )(resid 15  and name  HN  ) 4.5 2.7  0.5
assign (resid 14 and name HA  )(resid 15  and name  HN  ) 2.3 0.5  0.5
assign (resid 14 and name HA  )(resid 15  and name  HA  ) 4.5 2.7  0.5
assign (resid 14 and name HB* )(resid 15  and name  HA  ) 4.5 2.7  0.5
assign (resid 15 and name HN  )(resid 15  and name  HA  ) 4.5 2.7  0.5
assign (resid 15 and name HN  )(resid 15  and name  HB1 ) 4.5 2.7  0.5
assign (resid 15 and name HN  )(resid 15  and name  HB2 ) 4.5 2.7  0.5
assign (resid 15 and name HA  )(resid 15  and name  HB1 ) 3.5 1.7  0.5
assign (resid 15 and name HA  )(resid 15  and name  HB2 ) 3.5 1.7  0.5
assign (resid 15 and name HA  )(resid 16  and name  HN  ) 3.5 1.7  0.5
assign (resid 15 and name HA  )(resid 16  and name  HB  ) 4.5 2.7  0.5
assign (resid 15 and name HA  )(resid 16  and name  HG1*) 4.5 2.7  2.0
assign (resid 15 and name HA  )(resid 16  and name  HG2*) 4.5 2.7  2.0
assign (resid 15 and name HB1 )(resid 16  and name  HN  ) 4.5 2.7  0.5
assign (resid 15 and name HB2 )(resid 16  and name  HN  ) 4.5 2.7  0.5
assign (resid 16 and name HN  )(resid 16  and name  HB  ) 2.3 0.5  0.5
assign (resid 16 and name HN  )(resid 16  and name  HG1*) 4.5 2.7  0.5
assign (resid 16 and name HN  )(resid 16  and name  HG2*) 4.5 2.7  0.5
assign (resid 16 and name HN  )(resid 17  and name  HN  ) 4.5 2.7  0.5
assign (resid 16 and name HA  )(resid 16  and name  HB  ) 3.5 1.7  0.5
assign (resid 16 and name HA  )(resid 16  and name  HG1*) 3.5 1.7  0.5
assign (resid 16 and name HA  )(resid 16  and name  HG2*) 3.5 1.7  0.5
assign (resid 16 and name HA  )(resid 17  and name  HN  ) 3.5 1.7  0.5
assign (resid 16 and name HB  )(resid 17  and name  HN  ) 4.5 2.7  0.5
assign (resid 16 and name HG1*)(resid 17  and name  HN  ) 4.5 2.7  1.5
assign (resid 16 and name HG2*)(resid 17  and name  HN  ) 4.5 2.7  1.5
assign (resid 16 and name HB  )(resid 18  and name  HN  ) 4.5 2.7  0.5
assign (resid 16 and name HB  )(resid 18  and name  HD1 ) 4.5 2.7  0.5
assign (resid 16 and name HB  )(resid 18  and name  HZ2 ) 4.5 2.7  0.5
assign (resid 16 and name HG1*)(resid 18  and name  HZ2 ) 4.5 2.7  1.5
assign (resid 16 and name HG2*)(resid 18  and name  HZ2 ) 4.5 2.7  1.5
assign (resid 16 and name HG1*)(resid 18  and name  HZ3 ) 4.5 2.7  1.5
assign (resid 16 and name HG2*)(resid 18  and name  HZ3 ) 4.5 2.7  1.5
assign (resid 16 and name HG1*)(resid 18  and name  HN  ) 4.5 2.7  1.5
assign (resid 16 and name HG2*)(resid 18  and name  HN  ) 4.5 2.7  1.5
assign (resid 16 and name HG1*)(resid 18  and name  HA  ) 4.5 1.7  1.5
assign (resid 16 and name HG2*)(resid 18  and name  HA  ) 4.5 1.7  1.5
assign (resid 16 and name HG1*)(resid 18  and name  HD1 ) 4.5 2.7  1.5
assign (resid 16 and name HG2*)(resid 18  and name  HD1 ) 4.5 2.7  1.5
assign (resid 16 and name HG1*)(resid 18  and name  HE3 ) 4.5 2.7  1.5
assign (resid 16 and name HG2*)(resid 18  and name  HE3 ) 4.5 2.7  1.5
assign (resid 16 and name HG1*)(resid 18  and name  HH2 ) 4.5 2.7  0.5
assign (resid 16 and name HG2*)(resid 18  and name  HH2 ) 4.5 2.7  0.5
assign (resid 16 and name HG1*)(resid 18  and name  HE1 ) 4.5 2.7  1.5
assign (resid 16 and name HG2*)(resid 18  and name  HE1 ) 4.5 2.7  1.5
assign (resid 16 and name HB  )(resid 18  and name  HE1 ) 4.5 2.7  0.5 
assign (resid 17 and name HN  )(resid 17  and name  HB1 ) 3.5 1.7  0.5
assign (resid 17 and name HN  )(resid 17  and name  HB2 ) 3.5 1.7  0.5
assign (resid 17 and name HA  )(resid 17  and name  HB1 ) 3.5 1.7  0.5
assign (resid 17 and name HA  )(resid 17  and name  HB2 ) 3.5 1.7  0.5
assign (resid 17 and name HA  )(resid 18  and name  HN  ) 3.5 1.7  0.5
assign (resid 17 and name HA  )(resid 20  and name  HN  ) 4.5 2.7  0.5
assign (resid 17 and name HA  )(resid 20  and name  HB* ) 4.5 2.7  0.5
assign (resid 17 and name HB1 )(resid 17  and name  HD21) 4.5 2.7  0.5
assign (resid 17 and name HB1 )(resid 17  and name  HD22) 4.5 2.7  0.5
assign (resid 17 and name HB1 )(resid 18  and name  HN  ) 4.5 2.7  0.5
assign (resid 17 and name HB1 )(resid 20  and name  HN  ) 4.5 2.7  0.5
assign (resid 17 and name HB1 )(resid 20  and name  HB* ) 3.5 1.7  0.5
assign (resid 17 and name HB1 )(resid 20  and name  HG* ) 4.5 2.7  0.5
assign (resid 17 and name HB2 )(resid 17  and name  HD21) 4.5 2.7  0.5
assign (resid 17 and name HB2 )(resid 17  and name  HD22) 4.5 2.7  0.5
assign (resid 17 and name HB2 )(resid 18  and name  HN  ) 4.5 2.7  0.5
assign (resid 17 and name HB2 )(resid 20  and name  HN  ) 4.5 2.7  0.5
assign (resid 17 and name HB2 )(resid 20  and name  HB* ) 3.5 1.7  0.5
assign (resid 17 and name HD2*)(resid 20  and name  HG* ) 4.5 2.7  0.5
assign (resid 18 and name HN  )(resid 18  and name  HA  ) 3.5 1.7  0.5
assign (resid 18 and name HN  )(resid 18  and name  HB1 ) 4.5 2.7  0.5
assign (resid 18 and name HN  )(resid 18  and name  HB2 ) 4.5 2.7  0.5
assign (resid 18 and name HN  )(resid 18  and name  HD1 ) 3.5 1.7  0.5
assign (resid 18 and name HN  )(resid 18  and name  HE3 ) 4.5 2.7  0.5
assign (resid 18 and name HN  )(resid 19  and name  HN  ) 3.5 1.7  0.5
assign (resid 18 and name HA  )(resid 18  and name  HB1 ) 3.5 1.7  0.5
assign (resid 18 and name HA  )(resid 18  and name  HB* ) 3.5 1.7  0.5
assign (resid 18 and name HA  )(resid 18  and name  HD1 ) 4.5 2.7  0.5
assign (resid 18 and name HA  )(resid 18  and name  HE3 ) 2.3 0.5  0.5
assign (resid 18 and name HA  )(resid 19  and name  HN  ) 4.5 2.7  0.5
assign (resid 18 and name HA  )(resid 21  and name  HB* ) 2.3 0.5  0.5
assign (resid 18 and name HA  )(resid 22  and name  HN  ) 4.5 2.7  0.5
assign (resid 18 and name HB1 )(resid 18  and name  HD1 ) 4.5 2.7  0.5
assign (resid 18 and name HB1 )(resid 18  and name  HE3 ) 4.5 2.7  0.5
assign (resid 18 and name HB1 )(resid 19  and name  HN  ) 4.5 2.7  0.5
assign (resid 18 and name HB1 )(resid 21  and name  HB* ) 4.5 2.7  1.5
assign (resid 18 and name HB2 )(resid 18  and name  HE3 ) 4.5 2.7  0.5
assign (resid 18 and name HB2 )(resid 19  and name  HN  ) 4.5 2.7  0.5
assign (resid 18 and name HE3 )(resid 19  and name  HA* ) 4.5 2.7  1.5
assign (resid 18 and name HE3 )(resid 21  and name  HB* ) 3.5 1.7  0.5
assign (resid 18 and name HZ3 )(resid 21  and name  HB* ) 4.5 2.7  0.5
assign (resid 19 and name HN  )(resid 20  and name  HN  ) 2.3 0.5  0.5
assign (resid 19 and name HN  )(resid 21  and name  HN  ) 4.5 2.7  0.5
assign (resid 19 and name HA* )(resid 20  and name  HN  ) 3.5 1.7  0.5
assign (resid 19 and name HA* )(resid 22  and name  HN  ) 4.5 2.7  0.5
assign (resid 19 and name HA* )(resid 22  and name  HB* ) 2.3 0.5  0.5
assign (resid 19 and name HA* )(resid 23  and name  HN  ) 4.5 2.7  0.5
assign (resid 20 and name HN  )(resid 20  and name  HA  ) 3.5 1.7  0.5
assign (resid 20 and name HN  )(resid 20  and name  HB* ) 2.3 0.5  0.5
assign (resid 20 and name HN  )(resid 20  and name  HG* ) 3.5 1.7  0.5
assign (resid 20 and name HN  )(resid 21  and name  HN  ) 3.5 1.7  0.5
assign (resid 20 and name HN  )(resid 21  and name  HB* ) 4.5 2.7  0.5
assign (resid 20 and name HN  )(resid 22  and name  HN  ) 4.5 2.7  0.5
assign (resid 20 and name HA  )(resid 20  and name  HG* ) 2.3 0.5  0.5
assign (resid 20 and name HA  )(resid 21  and name  HN  ) 3.5 1.7  0.5
assign (resid 20 and name HA  )(resid 22  and name  HN  ) 4.5 2.7  0.5
assign (resid 20 and name HA  )(resid 23  and name  HN  ) 4.5 2.7  0.5
assign (resid 20 and name HB* )(resid 21  and name  HN  ) 3.5 1.7  0.5
assign (resid 20 and name HB* )(resid 21  and name  HB* ) 4.5 2.7  0.5
assign (resid 20 and name HG* )(resid 21  and name  HN  ) 4.5 2.7  0.5
assign (resid 21 and name HN  )(resid 21  and name  HA  ) 3.5 1.7  0.5
assign (resid 21 and name HN  )(resid 21  and name  HB* ) 2.3 0.5  0.5
assign (resid 21 and name HN  )(resid 22  and name  HN  ) 3.5 1.7  0.5
assign (resid 21 and name HA  )(resid 22  and name  HN  ) 4.5 2.7  0.5
assign (resid 21 and name HA  )(resid 24  and name  HN  ) 3.5 1.7  0.5
assign (resid 21 and name HA  )(resid 24  and name  HB* ) 2.3 0.5  0.5
assign (resid 21 and name HB* )(resid 22  and name  HN  ) 3.5 1.7  0.5
assign (resid 21 and name HB* )(resid 22  and name  HA  ) 4.5 2.7  0.5
assign (resid 21 and name HB* )(resid 23  and name  HN  ) 4.5 2.7  0.5
assign (resid 21 and name HB* )(resid 24  and name  HN  ) 4.5 2.7  0.5
assign (resid 21 and name HB* )(resid 25  and name  HN  ) 4.5 2.7  0.5
assign (resid 22 and name HN  )(resid 22  and name  HA  ) 3.5 1.7  0.5
assign (resid 22 and name HN  )(resid 22  and name  HB* ) 2.3 0.5  0.5
assign (resid 22 and name HN  )(resid 22  and name  HD* ) 4.5 2.7  0.5
assign (resid 22 and name HN  )(resid 23  and name  HN  ) 3.5 1.7  0.5
assign (resid 22 and name HN  )(resid 24  and name  HN  ) 4.5 2.7  0.5
assign (resid 22 and name HA  )(resid 22  and name  HD* ) 3.5 1.7  0.5
assign (resid 22 and name HA  )(resid 23  and name  HN  ) 4.5 2.7  0.5
assign (resid 22 and name HA  )(resid 24  and name  HN  ) 4.5 2.7  0.5
assign (resid 22 and name HA  )(resid 25  and name  HN  ) 4.5 2.7  0.5
assign (resid 22 and name HA  )(resid 26  and name  HN  ) 4.5 2.7  0.5
assign (resid 22 and name HB* )(resid 22  and name  HD* ) 3.5 1.7  0.5
assign (resid 22 and name HB* )(resid 23  and name  HN  ) 2.3 0.5  0.5
assign (resid 22 and name HB* )(resid 24  and name  HN  ) 4.5 2.7  0.5
assign (resid 22 and name HD* )(resid 23  and name  HN  ) 3.5 1.7  0.5
assign (resid 22 and name HD* )(resid 26  and name  HN  ) 4.5 2.7  0.5
assign (resid 22 and name HD* )(resid 26  and name  HG1*) 4.5 2.7  2.5
assign (resid 22 and name HD* )(resid 26  and name  HG2*) 4.5 2.7  2.5
assign (resid 22 and name HE* )(resid 26  and name  HG1*) 4.5 2.7  2.5
assign (resid 22 and name HE* )(resid 26  and name  HG2*) 4.5 2.7  2.5
assign (resid 23 and name HN  )(resid 23  and name  HA  ) 3.5 1.7  0.5
assign (resid 23 and name HN  )(resid 23  and name  HB* ) 3.5 1.7  0.5
assign (resid 23 and name HN  )(resid 24  and name  HN  ) 3.5 1.7  0.5
assign (resid 23 and name HA  )(resid 26  and name  HN  ) 3.5 1.7  0.5
assign (resid 23 and name HA  )(resid 26  and name  HB  ) 2.3 0.5  0.5
assign (resid 23 and name HA  )(resid 26  and name  HG1*) 4.5 2.7  0.5
assign (resid 23 and name HA  )(resid 26  and name  HG2*) 4.5 2.7  0.5
assign (resid 23 and name HB* )(resid 24  and name  HN  ) 3.5 1.7  0.5
assign (resid 24 and name HN  )(resid 24  and name  HB* ) 2.3 0.5  0.5
assign (resid 24 and name HN  )(resid 25  and name  HN  ) 3.5 1.7  0.5
assign (resid 24 and name HN  )(resid 26  and name  HN  ) 4.5 2.7  0.5
assign (resid 24 and name HB* )(resid 25  and name  HN  ) 2.3 0.5  0.5
assign (resid 25 and name HN  )(resid 25  and name  HA* ) 4.5 2.7  0.5
assign (resid 25 and name HA1 )(resid 26  and name  HN  ) 3.5 1.7  0.5
assign (resid 25 and name HA2 )(resid 26  and name  HN  ) 4.5 2.7  0.5 
assign (resid 25 and name HA1 )(resid 28  and name  HN  ) 4.5 2.7  0.5
assign (resid 25 and name HA2 )(resid 28  and name  HN  ) 4.5 2.7  0.5
assign (resid 25 and name HA1 )(resid 28  and name  HB* ) 4.5 2.7  0.5
assign (resid 25 and name HA1 )(resid 28  and name  HB* ) 4.5 2.7  1.5
assign (resid 25 and name HA2 )(resid 28  and name  HB* ) 4.5 2.7  1.5
assign (resid 25 and name HA1 )(resid 28  and name  HG* ) 4.5 2.7  1.5
assign (resid 25 and name HA2 )(resid 28  and name  HG* ) 4.5 2.7  1.5
assign (resid 26 and name HN  )(resid 26  and name  HA  ) 3.5 1.7  0.5
assign (resid 26 and name HN  )(resid 26  and name  HB  ) 2.3 0.5  0.5
assign (resid 26 and name HN  )(resid 26  and name  HG1*) 4.5 2.7  0.5
assign (resid 26 and name HN  )(resid 26  and name  HG2*) 4.5 2.7  0.5
assign (resid 26 and name HA  )(resid 26  and name  HB  ) 3.5 1.7  0.5
assign (resid 26 and name HA  )(resid 29  and name  HB1 ) 4.5 2.7  0.5
assign (resid 26 and name HA  )(resid 29  and name  HB2 ) 4.5 2.7  0.5
assign (resid 26 and name HA  )(resid 26  and name  HG1*) 2.3 0.5  0.5
assign (resid 26 and name HA  )(resid 26  and name  HG2*) 3.5 1.7  0.5
assign (resid 26 and name HA  )(resid 27   and name HN  ) 4.5 2.7  0.5
assign (resid 26 and name HA  )(resid 29   and name HN  ) 3.5 1.7  0.5
assign (resid 26 and name HA  )(resid 29   and name HA  ) 4.5 2.7  0.5
assign (resid 26 and name HA  )(resid 29   and name HG  ) 3.5 1.7  0.5
assign (resid 26 and name HA  )(resid 29   and name HD**) 4.5 2.7  0.5
assign (resid 26 and name HA  )(resid 30   and name HN  ) 4.5 2.7  0.5
assign (resid 26 and name HB  )(resid 27   and name HN  ) 3.5 1.7  0.5
assign (resid 26 and name HG1*)(resid 27   and name HN  ) 4.5 2.7  0.5
assign (resid 26 and name HG2*)(resid 27   and name HN  ) 4.5 2.7  0.5
assign (resid 26 and name HG1*)(resid 30   and name HN  ) 4.5 2.7  1.5
assign (resid 26 and name HG2*)(resid 30   and name HN  ) 4.5 2.7  1.5
assign (resid 26 and name HG1*)(resid 30   and name HB* ) 4.5 2.7  1.5
assign (resid 26 and name HG2*)(resid 30   and name HB* ) 4.5 2.7  1.5
assign (resid 27 and name HN  )(resid 27   and name HB* ) 4.5 2.7  0.5
assign (resid 27 and name HN  )(resid 27   and name HE1 ) 4.5 2.7  0.5
assign (resid 27 and name HA  )(resid 27   and name HB1 ) 3.5 1.7  0.5
assign (resid 27 and name HA  )(resid 27   and name HB* ) 3.5 1.7  0.5
assign (resid 27 and name HB* )(resid 27   and name HE1 ) 4.5 2.7  0.5
assign (resid 27 and name HB1 )(resid 28   and name HN  ) 4.5 2.7  0.5
assign (resid 27 and name HB2 )(resid 28   and name HN  ) 4.5 2.7  0.5
assign (resid 28 and name HN  )(resid 28   and name HB* ) 2.3 0.5  0.5
assign (resid 28 and name HN  )(resid 28   and name HG* ) 4.5 2.7  0.5
assign (resid 28 and name HA  )(resid 28   and name HE* ) 4.5 2.7  0.5
assign (resid 28 and name HA  )(resid 31   and name HN  ) 4.5 2.7  0.5
assign (resid 28 and name HA  )(resid 31   and name HB1 ) 3.5 1.7  0.5
assign (resid 28 and name HA  )(resid 31   and name HB2 ) 3.5 1.7  0.5
assign (resid 28 and name HB* )(resid 28   and name HE* ) 3.5 1.7  0.5
assign (resid 28 and name HG1 )(resid 28   and name HE* ) 4.5 2.7  0.5
assign (resid 28 and name HG2 )(resid 28   and name HE* ) 4.5 2.7  0.5
assign (resid 29 and name HN  )(resid 29   and name HB1 ) 3.5 1.7  0.5
assign (resid 29 and name HN  )(resid 29   and name HB2 ) 3.5 1.7  0.5
assign (resid 29 and name HN  )(resid 30   and name HN  ) 3.5 1.7  0.5
assign (resid 29 and name HN  )(resid 30   and name HB* ) 4.5 2.7  0.5
assign (resid 29 and name HA  )(resid 29   and name HB1 ) 3.5 1.7  0.5
assign (resid 29 and name HA  )(resid 29   and name HB2 ) 3.5 1.7  0.5
assign (resid 29 and name HB1 )(resid 30   and name HN  ) 4.5 2.7  0.5
assign (resid 29 and name HG  )(resid 30   and name HN  ) 3.5 1.7  0.5
assign (resid 29 and name HD1*)(resid 30   and name HN  ) 4.5 2.7  0.5
assign (resid 29 and name HD2*)(resid 30   and name HN  ) 4.5 2.7  0.5
assign (resid 30 and name HN  )(resid 30   and name HA ) 3.5 1.7  0.5
assign (resid 30 and name HN  )(resid 30   and name HB* ) 2.3 0.5  0.5
assign (resid 30 and name HN  )(resid 31   and name HN ) 3.5 1.7  0.5
assign (resid 30 and name HA  )(resid 31   and name HN ) 3.5 1.7  0.5
assign (resid 30 and name HB* )(resid 31   and name HN ) 3.5 1.7  0.5
assign (resid 30 and name HB* )(resid 31   and name HB* ) 4.5 2.7  1.5
assign (resid 31 and name HN  )(resid 31   and name HA ) 3.5 1.7  0.5
assign (resid 31 and name HN  )(resid 31   and name HB1 ) 3.5 1.7  0.5
assign (resid 31 and name HN  )(resid 31   and name HB2 ) 3.5 1.7  0.5
assign (resid 31 and name HN  )(resid 32   and name HN ) 3.5 1.7  0.5
assign (resid 31 and name HA  )(resid 31   and name HB1 ) 3.5 1.7  0.5
assign (resid 31 and name HA  )(resid 31   and name HB2 ) 3.5 1.7  0.5
assign (resid 31 and name HA  )(resid 32   and name HN ) 4.5 2.7  0.5
assign (resid 31 and name HB1 )(resid 31   and name HD21) 4.5 2.7  0.5
assign (resid 31 and name HB1 )(resid 31   and name HD22) 4.5 2.7  0.5
assign (resid 31 and name HB2 )(resid 31   and name HD21) 4.5 2.7  0.5
assign (resid 31 and name HB2 )(resid 31   and name HD22) 4.5 2.7  0.5
assign (resid 31 and name HB* )(resid 32   and name HN ) 4.5 2.7  1.5
assign (resid 32 and name HN  )(resid 32   and name HA* ) 4.5 2.7  0.5
assign (resid 32 and name HN  )(resid 33   and name HN ) 3.5 1.7  0.5
assign (resid 32 and name HA* )(resid 33   and name HN ) 4.5 2.7  0.5
assign (resid 33 and name HN  )(resid 33   and name HA1 ) 3.5 1.7  0.5
assign (resid 33 and name HN  )(resid 33   and name HA2 ) 3.5 1.7  0.5
assign (resid 33 and name HN  )(resid 34   and name HN ) 3.5 1.7  0.5
assign (resid 33 and name HA1 )(resid 34   and name HN  ) 3.5 1.7  0.5
assign (resid 33 and name HA2 )(resid 34   and name HN  ) 3.5 1.7  0.5
assign (resid 34 and name HN  )(resid 34   and name HB1 ) 3.5 1.7  0.5
assign (resid 34 and name HN  )(resid 34   and name HB2 ) 3.5 1.7  0.5
assign (resid 34 and name HN  )(resid 35   and name HN  ) 3.5 1.7  0.5
assign (resid 34 and name HA  )(resid 34   and name HB1 ) 4.5 2.7  0.5
assign (resid 34 and name HA  )(resid 34   and name HB2 ) 4.5 2.7  0.5
assign (resid 34 and name HA  )(resid 35   and name HN  ) 4.5 2.7  0.5
assign (resid 34 and name HB1 )(resid 34   and name HD2*) 4.5 2.7  0.5
assign (resid 34 and name HB1 )(resid 34   and name HD2*) 4.5 2.7  0.5
assign (resid 34 and name HB1 )(resid 35   and name HN  ) 4.5 2.7  0.5
assign (resid 34 and name HB2 )(resid 34   and name HD2*) 4.5 2.7  0.5
assign (resid 34 and name HB2 )(resid 34   and name HD2*) 4.5 2.7  0.5
assign (resid 34 and name HB2 )(resid 35   and name HN  ) 4.5 2.7  0.5
assign (resid 35 and name HN  )(resid 35   and name HA1 ) 3.5 1.7  0.5
assign (resid 35 and name HN  )(resid 35   and name HA2 ) 3.5 1.7  0.5
assign (resid 35 and name HN  )(resid 36   and name HN  ) 4.5 2.7  0.5
assign (resid 35 and name HA1 )(resid 36   and name HN  ) 4.5 2.7  0.5
assign (resid 35 and name HA2 )(resid 36   and name HN  ) 4.5 2.7  0.5
assign (resid 36 and name HN  )(resid 36   and name HA  ) 3.5 1.7  0.5
assign (resid 36 and name HN  )(resid 36   and name HB1 ) 3.5 1.7  0.5
assign (resid 36 and name HN  )(resid 36   and name HB2 ) 3.5 1.7  0.5
assign (resid 36 and name HA  )(resid 36   and name HB1 ) 3.5 1.7  0.5
assign (resid 36 and name HA  )(resid 36   and name HB2 ) 3.5 1.7  0.5
assign (resid 36 and name HA  )(resid 36   and name HD* ) 3.5 1.7  0.5
assign (resid 36 and name HA  )(resid 37   and name HN  ) 3.5 1.7  0.5
assign (resid 36 and name HB1 )(resid 36   and name HD* ) 3.5 1.7  0.5
assign (resid 36 and name HB1 )(resid 37   and name HN  ) 4.5 2.7  0.5
assign (resid 36 and name HB2 )(resid 36   and name HD* ) 3.5 1.7  0.5
assign (resid 36 and name HB2 )(resid 37   and name HN  ) 4.5 2.7  0.5
assign (resid 37 and name HN  )(resid 37   and name HB1 ) 4.5 2.7  0.5
assign (resid 37 and name HN  )(resid 37   and name HB2 ) 4.5 2.7  0.5
assign (resid 37 and name HB1 )(resid 37   and name HD1 ) 4.5 2.7  0.5
assign (resid 37 and name HB1 )(resid 37   and name HE3 ) 4.5 2.7  0.5
assign (resid 37 and name HB2 )(resid 37   and name HE3 ) 4.5 2.7  0.5
 

! H-bond
assign (resid 23 and name HN )(resid 19 and name O ) 2.2 0.5 0.2
assign (resid 23 and name  N )(resid 19 and name O ) 3.3 0.8 0.2
assign (resid 24 and name HN )(resid 20 and name O ) 2.2 0.5 0.2
assign (resid 24 and name  N )(resid 20 and name O ) 3.3 0.8 0.2
assign (resid 25 and name HN )(resid 21 and name O ) 2.2 0.5 0.2
assign (resid 25 and name  N )(resid 21 and name O ) 3.3 0.8 0.2
assign (resid 26 and name HN )(resid 22 and name O ) 2.2 0.5 0.2
assign (resid 26 and name  N )(resid 22 and name O ) 3.3 0.8 0.2
assign (resid 27 and name HN )(resid 23 and name O ) 2.2 0.5 0.2
assign (resid 27 and name  N )(resid 23 and name O ) 3.3 0.8 0.2
assign (resid 28 and name HN )(resid 24 and name O ) 2.2 0.5 0.2
assign (resid 28 and name  N )(resid 24 and name O ) 3.3 0.8 0.2
assign (resid 29 and name HN )(resid 25 and name O ) 2.2 0.5 0.2
assign (resid 29 and name  N )(resid 25 and name O ) 3.3 0.8 0.2
assign (resid 30 and name HN )(resid 26 and name O ) 2.2 0.5 0.2
assign (resid 30 and name  N )(resid 26 and name O ) 3.3 0.8 0.2  
 

! New by yjwang Nov 1998
assign (resid  1 and name HG* )(resid  8  and name  HD2 ) 4.5 2.7  2.5
assign (resid  3 and name HD* )(resid  7  and name  HG1*) 4.5 2.7  1.5
assign (resid  3 and name HD* )(resid  7  and name  HG2*) 4.5 2.7  1.5
assign (resid  3 and name HE* )(resid  7  and name  HG1*) 4.5 2.7  1.5
assign (resid  3 and name HE* )(resid  7  and name  HG1*) 4.5 2.7  1.5
assign (resid 16 and name HG1*)(resid 18  and name  HE1 ) 4.5 2.7  1.5
assign (resid 16 and name HG2*)(resid 18  and name  HE1 ) 4.5 2.7  1.5
assign (resid 16 and name HB  )(resid 18  and name  HE1 ) 4.5 2.7  1.5
assign (resid  6 and name HN  )(resid 20  and name  HB* ) 4.5 2.7  1.5
assign (resid  6 and name HN  )(resid 24  and name  HB* ) 4.5 2.7  1.5
assign (resid  7 and name HG1*)(resid  8  and name  HA  ) 4.5 2.7  2.0
assign (resid  7 and name HG2*)(resid  8  and name  HA  ) 4.5 2.7  2.0
assign (resid  7 and name HG1*)(resid 14  and name  HA  ) 4.5 2.7  2.5
assign (resid  7 and name HG2*)(resid 14  and name  HA  ) 4.5 2.7  2.5
assign (resid  7 and name HG1*)(resid 15  and name  HN  ) 4.5 2.7  1.5
assign (resid  7 and name HG2*)(resid 15  and name  HN  ) 4.5 2.7  1.5
assign (resid  8 and name HE1 )(resid 10  and name  HG* ) 4.5 2.7  1.5
assign (resid  8 and name HD2 )(resid 16  and name  HG1*) 4.5 2.7  1.5
assign (resid  8 and name HD2 )(resid 16  and name  HG2*) 4.5 2.7  1.5
assign (resid  8 and name HD2 )(resid 20  and name  HB* ) 4.5 2.7  1.5
assign (resid 10 and name HG* )(resid 13  and name  HN  ) 4.5 2.7  1.5
assign (resid 11 and name HB* )(resid 13  and name  HN  ) 4.5 2.7  1.5
assign (resid 16 and name HG1*)(resid 21  and name  HN  ) 4.5 2.7  2.5
assign (resid 16 and name HG2*)(resid 21  and name  HN  ) 4.5 2.7  2.5
assign (resid 24 and name HA  )(resid 27  and name  HE1 ) 4.5 2.7  1.5
assign (resid 26 and name HG1*)(resid 27  and name  HE1 ) 4.5 2.7  1.5
assign (resid 26 and name HG2*)(resid 27  and name  HE1 ) 4.5 2.7  1.5




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   LYS   1           HA       LYS   1  -6.596  -6.052   6.497
    2   1HB   LYS   1          2HB       LYS   1  -7.547  -7.062   4.506
    3   2HB   LYS   1          1HB       LYS   1  -8.816  -6.815   5.696
    4   1HG   LYS   1          2HG       LYS   1  -9.421  -4.716   4.463
    5   2HG   LYS   1          1HG       LYS   1  -8.291  -5.218   3.204
    6   1HD   LYS   1          2HD       LYS   1 -10.335  -6.009   2.429
    7   2HD   LYS   1          1HD       LYS   1  -9.619  -7.426   3.198
    8   1HE   LYS   1          2HE       LYS   1 -10.918  -6.563   5.302
    9   2HE   LYS   1          1HE       LYS   1 -11.891  -5.711   4.103
   10   1HZ   LYS   1          1HZ       LYS   1 -12.709  -7.649   3.250
   11   2HZ   LYS   1          2HZ       LYS   1 -12.521  -8.107   4.868
   12   3HZ   LYS   1          3HZ       LYS   1 -11.370  -8.572   3.719
   13    H    TYR   2           H        TYR   2  -4.633  -5.250   5.923
   14    HA   TYR   2           HA       TYR   2  -4.392  -3.052   4.090
   15   1HB   TYR   2          2HB       TYR   2  -2.853  -4.014   6.132
   16   2HB   TYR   2          1HB       TYR   2  -1.950  -4.533   4.711
   17    HD1  TYR   2          1HD       TYR   2  -0.665  -2.965   3.488
   18    HD2  TYR   2          2HD       TYR   2  -3.496  -1.654   6.335
   19    HE1  TYR   2          1HE       TYR   2   0.215  -0.698   3.287
   20    HE2  TYR   2          2HE       TYR   2  -2.618   0.631   6.172
   21    HH   TYR   2           HH       TYR   2   0.320   1.346   4.598
   22    H    TYR   3           H        TYR   3  -3.691  -3.135   1.981
   23    HA   TYR   3           HA       TYR   3  -3.410  -5.835   0.814
   24   1HB   TYR   3          2HB       TYR   3  -4.622  -3.299  -0.209
   25   2HB   TYR   3          1HB       TYR   3  -3.915  -4.423  -1.366
   26    HD1  TYR   3          1HD       TYR   3  -6.799  -3.654   0.599
   27    HD2  TYR   3          2HD       TYR   3  -4.728  -6.847  -1.299
   28    HE1  TYR   3          1HE       TYR   3  -8.855  -5.002   0.642
   29    HE2  TYR   3          2HE       TYR   3  -6.776  -8.206  -1.258
   30    HH   TYR   3           HH       TYR   3  -9.603  -7.278  -1.068
   31    H    GLY   4           H        GLY   4  -1.234  -4.637   2.077
   32   1HA   GLY   4          2HA       GLY   4   0.940  -3.964   1.766
   33   2HA   GLY   4          1HA       GLY   4   0.852  -5.000   0.348
   34    H    ASN   5           H        ASN   5  -1.265  -2.277   0.403
   35    HA   ASN   5           HA       ASN   5   0.604  -0.572  -1.051
   36   1HB   ASN   5          2HB       ASN   5  -1.580  -2.101  -2.281
   37   2HB   ASN   5          1HB       ASN   5  -1.662  -0.378  -2.627
   38   1HD2  ASN   5          1HD2      ASN   5  -1.135  -0.547  -4.759
   39   2HD2  ASN   5          2HD2      ASN   5   0.432  -1.021  -5.313
   40    H    GLY   6           H        GLY   6  -0.190   0.026   1.429
   41   1HA   GLY   6          2HA       GLY   6  -1.429   1.475   2.741
   42   2HA   GLY   6          1HA       GLY   6  -1.223   2.540   1.372
   43    H    VAL   7           H        VAL   7  -3.091  -0.438   1.577
   44    HA   VAL   7           HA       VAL   7  -5.561   1.138   1.276
   45    HB   VAL   7           HB       VAL   7  -4.742  -1.231  -0.404
   46   1HG1  VAL   7          1HG1      VAL   7  -6.928  -1.770   0.260
   47   2HG1  VAL   7          2HG1      VAL   7  -7.120  -0.972  -1.304
   48   3HG1  VAL   7          3HG1      VAL   7  -7.442  -0.085   0.191
   49   1HG2  VAL   7          1HG2      VAL   7  -6.086   1.115  -1.558
   50   2HG2  VAL   7          2HG2      VAL   7  -4.696   0.197  -2.149
   51   3HG2  VAL   7          3HG2      VAL   7  -4.477   1.422  -0.900
   52    H    HIS   8           H        HIS   8  -6.725   0.737   2.983
   53    HA   HIS   8           HA       HIS   8  -6.925  -2.035   3.907
   54   1HB   HIS   8          2HB       HIS   8  -7.445  -0.367   6.119
   55   2HB   HIS   8          1HB       HIS   8  -6.086  -1.462   5.897
   56    HD1  HIS   8          1HD       HIS   8  -6.423   1.653   7.104
   57    HD2  HIS   8          2HD       HIS   8  -4.262   0.244   3.844
   58    HE1  HIS   8          1HE       HIS   8  -4.646   3.372   6.684
   59    HE2  HIS   8          2HE       HIS   8  -3.327   2.490   4.728
   60    H    CYS   9           H        CYS   9  -8.904  -2.684   4.685
   61    HA   CYS   9           HA       CYS   9 -11.086  -0.880   3.976
   62   1HB   CYS   9          2HB       CYS   9 -11.335  -3.860   4.231
   63   2HB   CYS   9          1HB       CYS   9 -12.421  -2.736   3.425
   64    H    THR  10           H        THR  10 -11.479   0.157   5.817
   65    HA   THR  10           HA       THR  10 -11.773  -1.381   8.290
   66    HB   THR  10           HB       THR  10 -11.734   0.771   9.434
   67    HG1  THR  10          1HG       THR  10 -11.955   1.749   6.824
   68   1HG2  THR  10          1HG2      THR  10  -9.561  -0.340   8.485
   69   2HG2  THR  10          2HG2      THR  10  -9.518   1.256   9.235
   70   3HG2  THR  10          3HG2      THR  10  -9.527   1.109   7.477
   71    H    LYS  11           H        LYS  11 -13.544  -0.968   9.699
   72    HA   LYS  11           HA       LYS  11 -15.800  -1.298   9.997
   73   1HB   LYS  11          2HB       LYS  11 -16.947   0.785  10.004
   74   2HB   LYS  11          1HB       LYS  11 -15.260   1.106  10.389
   75   1HG   LYS  11          2HG       LYS  11 -14.842   2.078   8.325
   76   2HG   LYS  11          1HG       LYS  11 -16.264   1.348   7.585
   77   1HD   LYS  11          2HD       LYS  11 -17.059   2.977   9.810
   78   2HD   LYS  11          1HD       LYS  11 -16.018   3.914   8.738
   79   1HE   LYS  11          2HE       LYS  11 -17.835   4.269   7.498
   80   2HE   LYS  11          1HE       LYS  11 -17.704   2.581   7.004
   81   1HZ   LYS  11          1HZ       LYS  11 -19.070   2.089   9.067
   82   2HZ   LYS  11          2HZ       LYS  11 -19.878   2.824   7.777
   83   3HZ   LYS  11          3HZ       LYS  11 -19.414   3.745   9.117
   84    H    SER  12           H        SER  12 -14.974  -2.371   7.487
   85    HA   SER  12           HA       SER  12 -15.959  -3.425   5.729
   86   1HB   SER  12          2HB       SER  12 -18.252  -3.675   5.631
   87   2HB   SER  12          1HB       SER  12 -18.053  -3.186   7.312
   88    HG   SER  12           HG       SER  12 -18.715  -1.142   6.790
   89    H    GLY  13           H        GLY  13 -14.442  -1.266   5.222
   90   1HA   GLY  13          2HA       GLY  13 -15.489  -0.396   2.681
   91   2HA   GLY  13          1HA       GLY  13 -15.338   0.906   3.854
   92    H    CYS  14           H        CYS  14 -13.815  -0.308   1.295
   93    HA   CYS  14           HA       CYS  14 -11.118  -0.304   2.374
   94   1HB   CYS  14          2HB       CYS  14 -11.991  -0.596  -0.489
   95   2HB   CYS  14          1HB       CYS  14 -10.391  -0.915   0.170
   96    H    SER  15           H        SER  15  -9.831   1.300   2.462
   97    HA   SER  15           HA       SER  15 -10.092   3.528   0.596
   98   1HB   SER  15          2HB       SER  15 -11.523   4.106   2.559
   99   2HB   SER  15          1HB       SER  15 -10.094   3.989   3.586
  100    HG   SER  15           HG       SER  15 -10.887   6.111   2.394
  101    H    VAL  16           H        VAL  16  -8.279   5.199   1.119
  102    HA   VAL  16           HA       VAL  16  -5.844   3.682   1.812
  103    HB   VAL  16           HB       VAL  16  -6.016   5.923  -0.207
  104   1HG1  VAL  16          1HG1      VAL  16  -3.795   5.914  -0.179
  105   2HG1  VAL  16          2HG1      VAL  16  -3.765   4.178  -0.475
  106   3HG1  VAL  16          3HG1      VAL  16  -3.843   4.785   1.173
  107   1HG2  VAL  16          1HG2      VAL  16  -7.093   4.197  -1.292
  108   2HG2  VAL  16          2HG2      VAL  16  -6.104   2.966  -0.491
  109   3HG2  VAL  16          3HG2      VAL  16  -5.404   3.974  -1.764
  110    H    ASN  17           H        ASN  17  -4.773   4.429   3.494
  111    HA   ASN  17           HA       ASN  17  -5.392   6.939   4.716
  112   1HB   ASN  17          2HB       ASN  17  -3.838   4.588   5.376
  113   2HB   ASN  17          1HB       ASN  17  -2.929   6.050   5.741
  114   1HD2  ASN  17          1HD2      ASN  17  -3.349   7.081   7.560
  115   2HD2  ASN  17          2HD2      ASN  17  -4.697   6.784   8.599
  116    H    TRP  18           H        TRP  18  -3.386   5.931   2.209
  117    HA   TRP  18           HA       TRP  18  -1.905   6.917   0.848
  118   1HB   TRP  18          2HB       TRP  18  -3.145   9.337   2.139
  119   2HB   TRP  18          1HB       TRP  18  -1.876   9.485   0.917
  120    HD1  TRP  18           HD       TRP  18  -5.520   9.280   1.164
  121    HE1  TRP  18          1HE       TRP  18  -6.572   8.674  -1.103
  122    HE3  TRP  18          3HE       TRP  18  -1.329   7.724  -1.248
  123    HZ2  TRP  18          2HZ       TRP  18  -5.719   7.646  -3.592
  124    HZ3  TRP  18          3HZ       TRP  18  -1.518   6.928  -3.570
  125    HH2  TRP  18           HH       TRP  18  -3.676   6.880  -4.704
  126    H    GLY  19           H        GLY  19  -1.610   8.819   3.883
  127   1HA   GLY  19          2HA       GLY  19   1.164   9.067   3.738
  128   2HA   GLY  19          1HA       GLY  19   0.243   9.063   5.246
  129    H    GLU  20           H        GLU  20  -0.862   6.403   4.704
  130    HA   GLU  20           HA       GLU  20   1.211   4.821   5.883
  131   1HB   GLU  20          2HB       GLU  20  -1.617   4.277   4.981
  132   2HB   GLU  20          1HB       GLU  20  -0.567   2.964   5.501
  133   1HG   GLU  20          2HG       GLU  20  -0.499   5.107   7.409
  134   2HG   GLU  20          1HG       GLU  20  -2.160   4.609   7.095
  135    H    ALA  21           H        ALA  21  -0.351   5.069   2.731
  136    HA   ALA  21           HA       ALA  21   1.043   2.899   1.500
  137   1HB   ALA  21          1HB       ALA  21   0.205   5.041  -0.277
  138   2HB   ALA  21          2HB       ALA  21  -1.070   4.547   0.837
  139   3HB   ALA  21          3HB       ALA  21  -0.310   3.357  -0.223
  140    H    PHE  22           H        PHE  22   1.456   6.383   1.679
  141    HA   PHE  22           HA       PHE  22   3.581   6.725  -0.093
  142   1HB   PHE  22          2HB       PHE  22   2.386   8.617   0.833
  143   2HB   PHE  22          1HB       PHE  22   2.876   8.169   2.467
  144    HD1  PHE  22          1HD       PHE  22   4.260   9.210  -0.814
  145    HD2  PHE  22          2HD       PHE  22   4.793   9.066   3.391
  146    HE1  PHE  22          1HE       PHE  22   6.244  10.643  -1.024
  147    HE2  PHE  22          2HE       PHE  22   6.781  10.494   3.195
  148    HZ   PHE  22           HZ       PHE  22   7.510  11.284   0.984
  149    H    SER  23           H        SER  23   3.439   5.718   3.244
  150    HA   SER  23           HA       SER  23   6.276   5.748   3.682
  151   1HB   SER  23          2HB       SER  23   5.813   4.774   5.786
  152   2HB   SER  23          1HB       SER  23   4.381   5.747   5.460
  153    HG   SER  23           HG       SER  23   4.700   2.953   5.341
  154    H    ALA  24           H        ALA  24   3.941   3.544   2.367
  155    HA   ALA  24           HA       ALA  24   5.595   1.211   2.404
  156   1HB   ALA  24          1HB       ALA  24   2.988   1.459   2.127
  157   2HB   ALA  24          2HB       ALA  24   3.851   0.140   1.333
  158   3HB   ALA  24          3HB       ALA  24   3.397   1.577   0.415
  159    H    GLY  25           H        GLY  25   4.674   3.607  -0.043
  160   1HA   GLY  25          2HA       GLY  25   6.191   2.540  -2.163
  161   2HA   GLY  25          1HA       GLY  25   5.650   4.204  -2.039
  162    H    VAL  26           H        VAL  26   7.006   5.115   0.195
  163    HA   VAL  26           HA       VAL  26   9.535   5.744  -0.845
  164    HB   VAL  26           HB       VAL  26   8.626   5.800   2.043
  165   1HG1  VAL  26          1HG1      VAL  26  10.991   5.917   2.082
  166   2HG1  VAL  26          2HG1      VAL  26  10.417   7.578   2.223
  167   3HG1  VAL  26          3HG1      VAL  26  11.033   6.985   0.679
  168   1HG2  VAL  26          1HG2      VAL  26   8.728   7.993  -0.010
  169   2HG2  VAL  26          2HG2      VAL  26   8.135   8.106   1.650
  170   3HG2  VAL  26          3HG2      VAL  26   7.277   7.106   0.469
  171    H    HIS  27           H        HIS  27   8.584   3.174   1.414
  172    HA   HIS  27           HA       HIS  27  11.197   2.402   2.135
  173   1HB   HIS  27          2HB       HIS  27   8.647   0.775   1.983
  174   2HB   HIS  27          1HB       HIS  27  10.143   0.203   2.713
  175    HD1  HIS  27          1HD       HIS  27   9.646   3.711   3.396
  176    HD2  HIS  27          2HD       HIS  27   8.388   0.125   5.071
  177    HE1  HIS  27          1HE       HIS  27   8.829   4.292   5.683
  178    HE2  HIS  27          2HE       HIS  27   8.184   2.096   6.734
  179    H    ARG  28           H        ARG  28   9.059   1.447  -0.487
  180    HA   ARG  28           HA       ARG  28  10.836  -0.480  -1.620
  181   1HB   ARG  28          2HB       ARG  28   8.509  -0.748  -2.033
  182   2HB   ARG  28          1HB       ARG  28   8.345   0.905  -2.602
  183   1HG   ARG  28          2HG       ARG  28   8.225  -0.575  -4.469
  184   2HG   ARG  28          1HG       ARG  28   9.741   0.324  -4.556
  185   1HD   ARG  28          2HD       ARG  28   9.878  -2.230  -3.103
  186   2HD   ARG  28          1HD       ARG  28   9.538  -2.366  -4.829
  187    HE   ARG  28           HE       ARG  28  11.678  -0.594  -4.460
  188   1HH1  ARG  28          1HH1      ARG  28  10.949  -3.989  -4.124
  189   2HH1  ARG  28          2HH1      ARG  28  12.572  -4.499  -4.446
  190   1HH2  ARG  28          1HH2      ARG  28  13.815  -1.263  -4.888
  191   2HH2  ARG  28          2HH2      ARG  28  14.199  -2.952  -4.880
  192    H    LEU  29           H        LEU  29  10.039   2.896  -2.313
  193    HA   LEU  29           HA       LEU  29  11.678   3.102  -4.629
  194   1HB   LEU  29          2HB       LEU  29   9.800   4.543  -4.440
  195   2HB   LEU  29          1HB       LEU  29  10.324   5.131  -2.875
  196    HG   LEU  29           HG       LEU  29  12.121   6.378  -3.861
  197   1HD1  LEU  29          1HD1      LEU  29  12.754   4.762  -5.587
  198   2HD1  LEU  29          2HD1      LEU  29  12.561   6.383  -6.254
  199   3HD1  LEU  29          3HD1      LEU  29  11.303   5.172  -6.500
  200   1HD2  LEU  29          1HD2      LEU  29  10.000   7.014  -5.820
  201   2HD2  LEU  29          2HD2      LEU  29  10.858   8.064  -4.693
  202   3HD2  LEU  29          3HD2      LEU  29   9.544   7.040  -4.117
  203    H    ALA  30           H        ALA  30  12.015   4.342  -1.336
  204    HA   ALA  30           HA       ALA  30  14.566   5.491  -1.741
  205   1HB   ALA  30          1HB       ALA  30  12.653   5.787   0.102
  206   2HB   ALA  30          2HB       ALA  30  14.325   6.297   0.348
  207   3HB   ALA  30          3HB       ALA  30  13.767   4.753   0.996
  208    H    ASN  31           H        ASN  31  13.825   2.261  -1.657
  209    HA   ASN  31           HA       ASN  31  16.049   1.394  -0.032
  210   1HB   ASN  31          2HB       ASN  31  14.029   0.018  -0.132
  211   2HB   ASN  31          1HB       ASN  31  14.227  -0.176  -1.871
  212   1HD2  ASN  31          1HD2      ASN  31  14.139  -2.466  -1.258
  213   2HD2  ASN  31          2HD2      ASN  31  15.606  -3.251  -0.793
  214    H    GLY  32           H        GLY  32  15.338   1.825  -3.446
  215   1HA   GLY  32          2HA       GLY  32  17.808   0.583  -4.298
  216   2HA   GLY  32          1HA       GLY  32  16.636   1.394  -5.325
  217    H    GLY  33           H        GLY  33  18.810   2.299  -2.639
  218   1HA   GLY  33          2HA       GLY  33  19.410   4.801  -4.061
  219   2HA   GLY  33          1HA       GLY  33  19.729   4.476  -2.365
  220    H    ASN  34           H        ASN  34  20.759   3.648  -5.646
  221    HA   ASN  34           HA       ASN  34  22.794   3.192  -6.527
  222   1HB   ASN  34          2HB       ASN  34  23.956   4.128  -3.896
  223   2HB   ASN  34          1HB       ASN  34  24.772   4.041  -5.453
  224   1HD2  ASN  34          1HD2      ASN  34  24.860   6.363  -4.146
  225   2HD2  ASN  34          2HD2      ASN  34  23.845   7.540  -4.900
  226    H    GLY  35           H        GLY  35  23.072   2.309  -3.062
  227   1HA   GLY  35          2HA       GLY  35  23.418  -0.483  -3.866
  228   2HA   GLY  35          1HA       GLY  35  24.756   0.274  -3.011
  229    H    PHE  36           H        PHE  36  24.641  -1.018  -1.198
  230    HA   PHE  36           HA       PHE  36  23.929  -1.758   0.832
  231   1HB   PHE  36          2HB       PHE  36  23.071   1.009   0.582
  232   2HB   PHE  36          1HB       PHE  36  22.019   0.098   1.660
  233    HD1  PHE  36          1HD       PHE  36  22.732  -0.542   3.814
  234    HD2  PHE  36          2HD       PHE  36  25.511   1.119   1.052
  235    HE1  PHE  36          1HE       PHE  36  24.387  -0.316   5.621
  236    HE2  PHE  36          2HE       PHE  36  27.172   1.348   2.853
  237    HZ   PHE  36           HZ       PHE  36  26.611   0.629   5.141
  238    H    TRP  37           H        TRP  37  22.875  -3.570  -0.193
  239    HA   TRP  37           HA       TRP  37  20.072  -3.449  -0.805
  240   1HB   TRP  37          2HB       TRP  37  21.882  -5.041  -1.783
  241   2HB   TRP  37          1HB       TRP  37  21.578  -6.006  -0.341
  242    HD1  TRP  37           HD       TRP  37  19.627  -4.581  -3.367
  243    HE1  TRP  37          1HE       TRP  37  17.679  -6.181  -3.883
  244    HE3  TRP  37          3HE       TRP  37  20.224  -7.862   0.508
  245    HZ2  TRP  37          2HZ       TRP  37  16.546  -8.526  -2.792
  246    HZ3  TRP  37          3HZ       TRP  37  18.666  -9.757   0.700
  247    HH2  TRP  37           HH       TRP  37  16.865 -10.080  -0.917
  Start of MODEL    2
    1    HA   LYS   1           HA       LYS   1  -5.982  -6.118   6.263
    2   1HB   LYS   1          2HB       LYS   1  -7.501  -7.477   5.225
    3   2HB   LYS   1          1HB       LYS   1  -8.394  -6.127   4.537
    4   1HG   LYS   1          2HG       LYS   1  -7.080  -6.032   2.657
    5   2HG   LYS   1          1HG       LYS   1  -5.691  -6.756   3.462
    6   1HD   LYS   1          2HD       LYS   1  -7.966  -8.564   3.364
    7   2HD   LYS   1          1HD       LYS   1  -7.449  -8.040   1.758
    8   1HE   LYS   1          2HE       LYS   1  -5.599  -9.161   3.857
    9   2HE   LYS   1          1HE       LYS   1  -6.325 -10.113   2.563
   10   1HZ   LYS   1          1HZ       LYS   1  -5.161  -8.856   0.942
   11   2HZ   LYS   1          2HZ       LYS   1  -4.027  -9.308   2.113
   12   3HZ   LYS   1          3HZ       LYS   1  -4.629  -7.727   2.084
   13    H    TYR   2           H        TYR   2  -4.091  -5.153   5.736
   14    HA   TYR   2           HA       TYR   2  -3.981  -2.883   4.014
   15   1HB   TYR   2          2HB       TYR   2  -2.470  -3.718   6.051
   16   2HB   TYR   2          1HB       TYR   2  -1.510  -4.349   4.706
   17    HD1  TYR   2          1HD       TYR   2  -3.007  -1.392   6.159
   18    HD2  TYR   2          2HD       TYR   2  -0.296  -2.873   3.291
   19    HE1  TYR   2          1HE       TYR   2  -2.134   0.884   5.821
   20    HE2  TYR   2          2HE       TYR   2   0.572  -0.624   2.913
   21    HH   TYR   2           HH       TYR   2   0.586   1.644   4.679
   22    H    TYR   3           H        TYR   3  -3.464  -2.822   1.896
   23    HA   TYR   3           HA       TYR   3  -2.881  -5.380   0.546
   24   1HB   TYR   3          2HB       TYR   3  -4.334  -2.905  -0.212
   25   2HB   TYR   3          1HB       TYR   3  -3.441  -3.715  -1.502
   26    HD1  TYR   3          1HD       TYR   3  -3.935  -6.177  -1.926
   27    HD2  TYR   3          2HD       TYR   3  -6.408  -3.716   0.503
   28    HE1  TYR   3          1HE       TYR   3  -5.758  -7.811  -2.140
   29    HE2  TYR   3          2HE       TYR   3  -8.244  -5.338   0.291
   30    HH   TYR   3           HH       TYR   3  -8.492  -7.557  -1.947
   31    H    GLY   4           H        GLY   4  -0.811  -4.152   1.935
   32   1HA   GLY   4          2HA       GLY   4   1.278  -3.202   1.734
   33   2HA   GLY   4          1HA       GLY   4   1.352  -4.253   0.326
   34    H    ASN   5           H        ASN   5  -0.915  -1.616   0.421
   35    HA   ASN   5           HA       ASN   5   0.835   0.173  -1.068
   36   1HB   ASN   5          2HB       ASN   5  -1.380  -1.391  -2.254
   37   2HB   ASN   5          1HB       ASN   5  -1.371   0.322  -2.653
   38   1HD2  ASN   5          1HD2      ASN   5  -0.892  -0.047  -4.790
   39   2HD2  ASN   5          2HD2      ASN   5   0.664  -0.579  -5.316
   40    H    GLY   6           H        GLY   6  -0.266   0.379   1.526
   41   1HA   GLY   6          2HA       GLY   6  -1.465   1.859   2.829
   42   2HA   GLY   6          1HA       GLY   6  -1.401   2.931   1.455
   43    H    VAL   7           H        VAL   7  -2.847  -0.165   1.046
   44    HA   VAL   7           HA       VAL   7  -5.505   1.135   1.036
   45    HB   VAL   7           HB       VAL   7  -4.473  -1.071  -0.739
   46   1HG1  VAL   7          1HG1      VAL   7  -6.570  -1.894  -0.103
   47   2HG1  VAL   7          2HG1      VAL   7  -6.904  -1.002  -1.590
   48   3HG1  VAL   7          3HG1      VAL   7  -7.263  -0.274  -0.023
   49   1HG2  VAL   7          1HG2      VAL   7  -6.082   1.168  -1.752
   50   2HG2  VAL   7          2HG2      VAL   7  -4.636   0.412  -2.432
   51   3HG2  VAL   7          3HG2      VAL   7  -4.488   1.596  -1.133
   52    H    HIS   8           H        HIS   8  -6.334   0.641   2.953
   53    HA   HIS   8           HA       HIS   8  -6.322  -2.180   3.723
   54   1HB   HIS   8          2HB       HIS   8  -7.219  -0.520   5.874
   55   2HB   HIS   8          1HB       HIS   8  -5.806  -1.567   5.808
   56    HD1  HIS   8          1HD       HIS   8  -6.187   1.447   7.043
   57    HD2  HIS   8          2HD       HIS   8  -4.073   0.265   3.663
   58    HE1  HIS   8          1HE       HIS   8  -4.464   3.239   6.669
   59    HE2  HIS   8          2HE       HIS   8  -3.221   2.529   4.597
   60    H    CYS   9           H        CYS   9  -8.271  -2.948   4.828
   61    HA   CYS   9           HA       CYS   9 -10.642  -1.550   3.866
   62   1HB   CYS   9          2HB       CYS   9 -10.415  -4.542   4.013
   63   2HB   CYS   9          1HB       CYS   9 -11.702  -3.592   3.282
   64    H    THR  10           H        THR  10 -10.868  -0.568   5.838
   65    HA   THR  10           HA       THR  10 -11.408  -2.303   8.143
   66    HB   THR  10           HB       THR  10 -10.934  -0.480   9.545
   67    HG1  THR  10          1HG       THR  10 -10.563   1.657   8.392
   68   1HG2  THR  10          1HG2      THR  10  -8.774   0.207   9.034
   69   2HG2  THR  10          2HG2      THR  10  -9.071   0.165   7.296
   70   3HG2  THR  10          3HG2      THR  10  -8.938  -1.342   8.207
   71    H    LYS  11           H        LYS  11 -13.189  -2.235   9.294
   72    HA   LYS  11           HA       LYS  11 -15.519  -2.406   9.293
   73   1HB   LYS  11          2HB       LYS  11 -15.032   0.510   9.786
   74   2HB   LYS  11          1HB       LYS  11 -16.284  -0.499  10.497
   75   1HG   LYS  11          2HG       LYS  11 -13.422  -1.185  10.943
   76   2HG   LYS  11          1HG       LYS  11 -14.146   0.145  11.845
   77   1HD   LYS  11          2HD       LYS  11 -15.699  -2.366  11.751
   78   2HD   LYS  11          1HD       LYS  11 -14.193  -2.416  12.671
   79   1HE   LYS  11          2HE       LYS  11 -16.151  -0.186  13.069
   80   2HE   LYS  11          1HE       LYS  11 -16.390  -1.739  13.867
   81   1HZ   LYS  11          1HZ       LYS  11 -14.432  -1.499  15.080
   82   2HZ   LYS  11          2HZ       LYS  11 -15.115   0.048  15.122
   83   3HZ   LYS  11          3HZ       LYS  11 -13.829  -0.279  14.073
   84    H    SER  12           H        SER  12 -14.867   0.746   7.747
   85    HA   SER  12           HA       SER  12 -17.394   0.645   6.377
   86   1HB   SER  12          2HB       SER  12 -16.908   2.863   5.634
   87   2HB   SER  12          1HB       SER  12 -16.354   2.741   7.304
   88    HG   SER  12           HG       SER  12 -14.940   3.599   5.373
   89    H    GLY  13           H        GLY  13 -14.646  -0.952   5.658
   90   1HA   GLY  13          2HA       GLY  13 -14.736  -2.215   3.557
   91   2HA   GLY  13          1HA       GLY  13 -15.187  -0.718   2.759
   92    H    CYS  14           H        CYS  14 -13.455  -1.033   1.277
   93    HA   CYS  14           HA       CYS  14 -10.747  -0.878   2.338
   94   1HB   CYS  14          2HB       CYS  14 -11.647  -1.136  -0.516
   95   2HB   CYS  14          1HB       CYS  14  -9.998  -1.270   0.081
   96    H    SER  15           H        SER  15  -9.599   0.825   2.470
   97    HA   SER  15           HA       SER  15 -10.093   3.113   0.729
   98   1HB   SER  15          2HB       SER  15 -10.283   4.713   2.534
   99   2HB   SER  15          1HB       SER  15 -11.514   3.471   2.762
  100    HG   SER  15           HG       SER  15  -9.134   3.913   4.195
  101    H    VAL  16           H        VAL  16  -8.394   4.872   1.192
  102    HA   VAL  16           HA       VAL  16  -5.834   3.550   1.818
  103    HB   VAL  16           HB       VAL  16  -6.169   5.868  -0.081
  104   1HG1  VAL  16          1HG1      VAL  16  -3.950   5.920  -0.105
  105   2HG1  VAL  16          2HG1      VAL  16  -3.901   4.236  -0.610
  106   3HG1  VAL  16          3HG1      VAL  16  -3.910   4.641   1.103
  107   1HG2  VAL  16          1HG2      VAL  16  -6.346   2.954  -0.538
  108   2HG2  VAL  16          2HG2      VAL  16  -5.541   3.963  -1.748
  109   3HG2  VAL  16          3HG2      VAL  16  -7.225   4.281  -1.314
  110    H    ASN  17           H        ASN  17  -4.769   4.355   3.482
  111    HA   ASN  17           HA       ASN  17  -5.631   6.782   4.767
  112   1HB   ASN  17          2HB       ASN  17  -3.858   4.563   5.392
  113   2HB   ASN  17          1HB       ASN  17  -3.141   6.106   5.845
  114   1HD2  ASN  17          1HD2      ASN  17  -3.716   6.963   7.710
  115   2HD2  ASN  17          2HD2      ASN  17  -5.069   6.483   8.670
  116    H    TRP  18           H        TRP  18  -3.593   6.011   2.227
  117    HA   TRP  18           HA       TRP  18  -2.223   7.153   0.879
  118   1HB   TRP  18          2HB       TRP  18  -3.521   9.451   2.343
  119   2HB   TRP  18          1HB       TRP  18  -2.338   9.702   1.053
  120    HD1  TRP  18           HD       TRP  18  -5.961   9.224   1.521
  121    HE1  TRP  18          1HE       TRP  18  -7.105   8.646  -0.704
  122    HE3  TRP  18          3HE       TRP  18  -1.828   8.136  -1.225
  123    HZ2  TRP  18          2HZ       TRP  18  -6.342   7.821  -3.293
  124    HZ3  TRP  18          3HZ       TRP  18  -2.107   7.449  -3.573
  125    HH2  TRP  18           HH       TRP  18  -4.326   7.279  -4.571
  126    H    GLY  19           H        GLY  19  -1.864   9.044   3.923
  127   1HA   GLY  19          2HA       GLY  19   0.905   9.301   3.683
  128   2HA   GLY  19          1HA       GLY  19   0.037   9.314   5.223
  129    H    GLU  20           H        GLU  20  -1.053   6.604   4.643
  130    HA   GLU  20           HA       GLU  20   1.058   5.050   5.807
  131   1HB   GLU  20          2HB       GLU  20  -1.804   4.742   5.259
  132   2HB   GLU  20          1HB       GLU  20  -0.896   3.266   4.988
  133   1HG   GLU  20          2HG       GLU  20  -0.623   4.836   7.523
  134   2HG   GLU  20          1HG       GLU  20  -1.897   3.638   7.297
  135    H    ALA  21           H        ALA  21  -0.559   5.331   2.692
  136    HA   ALA  21           HA       ALA  21   0.817   3.218   1.376
  137   1HB   ALA  21          1HB       ALA  21  -1.313   4.780   0.790
  138   2HB   ALA  21          2HB       ALA  21  -0.441   3.815  -0.404
  139   3HB   ALA  21          3HB       ALA  21  -0.071   5.529  -0.211
  140    H    PHE  22           H        PHE  22   1.319   6.661   1.797
  141    HA   PHE  22           HA       PHE  22   3.454   7.056   0.026
  142   1HB   PHE  22          2HB       PHE  22   2.179   8.859   1.206
  143   2HB   PHE  22          1HB       PHE  22   2.974   8.392   2.706
  144    HD1  PHE  22          1HD       PHE  22   5.543   8.495   2.741
  145    HD2  PHE  22          2HD       PHE  22   3.145  10.437  -0.190
  146    HE1  PHE  22          1HE       PHE  22   7.412  10.005   2.218
  147    HE2  PHE  22          2HE       PHE  22   5.013  11.952  -0.718
  148    HZ   PHE  22           HZ       PHE  22   7.149  11.735   0.486
  149    H    SER  23           H        SER  23   3.233   5.907   3.316
  150    HA   SER  23           HA       SER  23   6.055   5.731   3.795
  151   1HB   SER  23          2HB       SER  23   3.630   4.565   5.170
  152   2HB   SER  23          1HB       SER  23   5.268   4.170   5.688
  153    HG   SER  23           HG       SER  23   4.983   5.918   6.845
  154    H    ALA  24           H        ALA  24   3.623   3.668   2.402
  155    HA   ALA  24           HA       ALA  24   5.184   1.266   2.461
  156   1HB   ALA  24          1HB       ALA  24   2.941   1.725   0.539
  157   2HB   ALA  24          2HB       ALA  24   2.609   1.556   2.263
  158   3HB   ALA  24          3HB       ALA  24   3.403   0.247   1.384
  159    H    GLY  25           H        GLY  25   4.319   3.623  -0.038
  160   1HA   GLY  25          2HA       GLY  25   5.785   2.426  -2.127
  161   2HA   GLY  25          1HA       GLY  25   5.258   4.100  -2.074
  162    H    VAL  26           H        VAL  26   6.685   4.866   0.280
  163    HA   VAL  26           HA       VAL  26   9.178   5.554  -0.875
  164    HB   VAL  26           HB       VAL  26   8.312   5.665   2.033
  165   1HG1  VAL  26          1HG1      VAL  26  10.720   6.778   0.617
  166   2HG1  VAL  26          2HG1      VAL  26  10.670   5.742   2.044
  167   3HG1  VAL  26          3HG1      VAL  26  10.138   7.420   2.155
  168   1HG2  VAL  26          1HG2      VAL  26   7.215   7.046   0.016
  169   2HG2  VAL  26          2HG2      VAL  26   8.570   8.108   0.398
  170   3HG2  VAL  26          3HG2      VAL  26   7.397   7.689   1.647
  171    H    HIS  27           H        HIS  27   8.243   3.048   1.454
  172    HA   HIS  27           HA       HIS  27  10.865   2.241   2.104
  173   1HB   HIS  27          2HB       HIS  27   8.279   0.667   2.047
  174   2HB   HIS  27          1HB       HIS  27   9.785   0.058   2.723
  175    HD1  HIS  27          1HD       HIS  27   9.270   3.601   3.381
  176    HD2  HIS  27          2HD       HIS  27   8.246   0.003   5.185
  177    HE1  HIS  27          1HE       HIS  27   8.584   4.192   5.710
  178    HE2  HIS  27          2HE       HIS  27   8.071   1.994   6.828
  179    H    ARG  28           H        ARG  28   8.649   1.363  -0.488
  180    HA   ARG  28           HA       ARG  28  10.277  -0.669  -1.626
  181   1HB   ARG  28          2HB       ARG  28   7.978   0.967  -2.680
  182   2HB   ARG  28          1HB       ARG  28   8.803  -0.230  -3.669
  183   1HG   ARG  28          2HG       ARG  28   8.289  -1.786  -1.604
  184   2HG   ARG  28          1HG       ARG  28   7.009  -0.601  -1.331
  185   1HD   ARG  28          2HD       ARG  28   6.063  -2.312  -2.664
  186   2HD   ARG  28          1HD       ARG  28   6.342  -0.941  -3.737
  187    HE   ARG  28           HE       ARG  28   8.583  -2.381  -4.065
  188   1HH1  ARG  28          1HH1      ARG  28   5.209  -3.272  -4.152
  189   2HH1  ARG  28          2HH1      ARG  28   5.452  -4.562  -5.281
  190   1HH2  ARG  28          1HH2      ARG  28   8.901  -4.075  -5.553
  191   2HH2  ARG  28          2HH2      ARG  28   7.546  -5.019  -6.076
  192    H    LEU  29           H        LEU  29   9.781   2.772  -2.423
  193    HA   LEU  29           HA       LEU  29  11.597   2.790  -4.600
  194   1HB   LEU  29          2HB       LEU  29  10.857   5.198  -2.980
  195   2HB   LEU  29          1HB       LEU  29  11.309   5.126  -4.673
  196    HG   LEU  29           HG       LEU  29   8.727   4.241  -3.431
  197   1HD1  LEU  29          1HD1      LEU  29   7.727   5.936  -4.704
  198   2HD1  LEU  29          2HD1      LEU  29   9.178   6.167  -5.679
  199   3HD1  LEU  29          3HD1      LEU  29   9.163   6.666  -3.986
  200   1HD2  LEU  29          1HD2      LEU  29  10.022   3.401  -5.923
  201   2HD2  LEU  29          2HD2      LEU  29   8.337   3.905  -6.072
  202   3HD2  LEU  29          3HD2      LEU  29   8.778   2.606  -4.961
  203    H    ALA  30           H        ALA  30  11.797   4.002  -1.334
  204    HA   ALA  30           HA       ALA  30  14.460   4.907  -1.451
  205   1HB   ALA  30          1HB       ALA  30  13.156   4.065   1.101
  206   2HB   ALA  30          2HB       ALA  30  12.558   5.458   0.201
  207   3HB   ALA  30          3HB       ALA  30  14.222   5.435   0.788
  208    H    ASN  31           H        ASN  31  13.211   1.699  -0.981
  209    HA   ASN  31           HA       ASN  31  15.621   0.770   0.330
  210   1HB   ASN  31          2HB       ASN  31  13.403  -0.245   0.831
  211   2HB   ASN  31          1HB       ASN  31  13.360  -0.890  -0.812
  212   1HD2  ASN  31          1HD2      ASN  31  14.486  -1.302   2.368
  213   2HD2  ASN  31          2HD2      ASN  31  15.407  -2.740   2.109
  214    H    GLY  32           H        GLY  32  16.757   1.826  -1.653
  215   1HA   GLY  32          2HA       GLY  32  18.309   0.137  -2.986
  216   2HA   GLY  32          1HA       GLY  32  16.851   0.045  -3.963
  217    H    GLY  33           H        GLY  33  16.357   2.982  -3.266
  218   1HA   GLY  33          2HA       GLY  33  18.534   4.313  -4.673
  219   2HA   GLY  33          1HA       GLY  33  17.000   4.248  -5.531
  220    H    ASN  34           H        ASN  34  18.871   6.051  -3.463
  221    HA   ASN  34           HA       ASN  34  16.664   7.875  -2.947
  222   1HB   ASN  34          2HB       ASN  34  17.218   8.062  -0.535
  223   2HB   ASN  34          1HB       ASN  34  16.610   6.465  -0.965
  224   1HD2  ASN  34          1HD2      ASN  34  18.098   4.731  -1.126
  225   2HD2  ASN  34          2HD2      ASN  34  19.601   4.774  -0.275
  226    H    GLY  35           H        GLY  35  17.534   9.547  -4.044
  227   1HA   GLY  35          2HA       GLY  35  20.242  10.440  -3.232
  228   2HA   GLY  35          1HA       GLY  35  19.615  10.625  -4.865
  229    H    PHE  36           H        PHE  36  17.774  11.174  -1.921
  230    HA   PHE  36           HA       PHE  36  17.020  13.797  -2.815
  231   1HB   PHE  36          2HB       PHE  36  16.284  11.993  -0.569
  232   2HB   PHE  36          1HB       PHE  36  16.024  13.717  -0.324
  233    HD1  PHE  36          1HD       PHE  36  14.128  14.750  -1.172
  234    HD2  PHE  36          2HD       PHE  36  15.287  10.942  -2.679
  235    HE1  PHE  36          1HE       PHE  36  12.027  14.619  -2.447
  236    HE2  PHE  36          2HE       PHE  36  13.188  10.804  -3.955
  237    HZ   PHE  36           HZ       PHE  36  11.555  12.644  -3.840
  238    H    TRP  37           H        TRP  37  17.891  15.703  -2.274
  239    HA   TRP  37           HA       TRP  37  20.270  15.768  -0.662
  240   1HB   TRP  37          2HB       TRP  37  18.951  17.514  -2.581
  241   2HB   TRP  37          1HB       TRP  37  19.561  18.407  -1.191
  242    HD1  TRP  37           HD       TRP  37  20.692  16.638  -4.322
  243    HE1  TRP  37          1HE       TRP  37  23.241  16.889  -4.574
  244    HE3  TRP  37          3HE       TRP  37  21.775  18.594   0.276
  245    HZ2  TRP  37          2HZ       TRP  37  25.422  17.797  -3.028
  246    HZ3  TRP  37          3HZ       TRP  37  24.116  19.127   0.809
  247    HH2  TRP  37           HH       TRP  37  25.901  18.735  -0.810
  Start of MODEL    3
    1    HA   LYS   1           HA       LYS   1  -6.686  -5.941   6.966
    2   1HB   LYS   1          2HB       LYS   1  -7.520  -6.825   4.775
    3   2HB   LYS   1          1HB       LYS   1  -8.669  -6.998   6.104
    4   1HG   LYS   1          2HG       LYS   1  -9.538  -4.685   5.173
    5   2HG   LYS   1          1HG       LYS   1  -8.772  -5.267   3.694
    6   1HD   LYS   1          2HD       LYS   1 -10.915  -6.678   5.291
    7   2HD   LYS   1          1HD       LYS   1 -11.118  -5.903   3.720
    8   1HE   LYS   1          2HE       LYS   1 -10.725  -7.922   2.848
    9   2HE   LYS   1          1HE       LYS   1  -9.038  -7.646   3.278
   10   1HZ   LYS   1          1HZ       LYS   1 -10.910  -8.822   5.232
   11   2HZ   LYS   1          2HZ       LYS   1  -9.225  -8.947   5.168
   12   3HZ   LYS   1          3HZ       LYS   1 -10.178  -9.793   4.056
   13    H    TYR   2           H        TYR   2  -4.786  -4.974   6.407
   14    HA   TYR   2           HA       TYR   2  -4.613  -2.844   4.559
   15   1HB   TYR   2          2HB       TYR   2  -3.131  -3.592   6.622
   16   2HB   TYR   2          1HB       TYR   2  -2.314  -4.564   5.410
   17    HD1  TYR   2          1HD       TYR   2  -0.380  -3.213   6.260
   18    HD2  TYR   2          2HD       TYR   2  -3.568  -1.535   4.058
   19    HE1  TYR   2          1HE       TYR   2   1.029  -1.273   5.731
   20    HE2  TYR   2          2HE       TYR   2  -2.205   0.408   3.519
   21    HH   TYR   2           HH       TYR   2   1.143   0.490   3.958
   22    H    TYR   3           H        TYR   3  -3.122  -3.098   2.654
   23    HA   TYR   3           HA       TYR   3  -3.386  -5.778   1.448
   24   1HB   TYR   3          2HB       TYR   3  -4.292  -3.119   0.473
   25   2HB   TYR   3          1HB       TYR   3  -3.606  -4.205  -0.731
   26    HD1  TYR   3          1HD       TYR   3  -4.510  -6.779  -0.186
   27    HD2  TYR   3          2HD       TYR   3  -6.574  -3.148   0.458
   28    HE1  TYR   3          1HE       TYR   3  -6.651  -7.985  -0.349
   29    HE2  TYR   3          2HE       TYR   3  -8.724  -4.314   0.287
   30    HH   TYR   3           HH       TYR   3  -9.398  -6.764  -1.003
   31    H    GLY   4           H        GLY   4  -1.423  -3.027   2.069
   32   1HA   GLY   4          2HA       GLY   4   0.946  -3.244   2.044
   33   2HA   GLY   4          1HA       GLY   4   0.797  -4.349   0.681
   34    H    ASN   5           H        ASN   5  -1.251  -1.668   0.481
   35    HA   ASN   5           HA       ASN   5   0.659  -0.087  -1.081
   36   1HB   ASN   5          2HB       ASN   5  -1.839  -1.395  -2.058
   37   2HB   ASN   5          1HB       ASN   5  -1.498   0.232  -2.637
   38   1HD2  ASN   5          1HD2      ASN   5  -1.498  -2.428  -3.984
   39   2HD2  ASN   5          2HD2      ASN   5   0.049  -2.539  -4.746
   40    H    GLY   6           H        GLY   6  -1.066  -0.009   1.557
   41   1HA   GLY   6          2HA       GLY   6  -1.628   1.974   2.713
   42   2HA   GLY   6          1HA       GLY   6  -1.793   2.793   1.167
   43    H    VAL   7           H        VAL   7  -3.297   0.116   0.457
   44    HA   VAL   7           HA       VAL   7  -5.918   1.220   0.972
   45    HB   VAL   7           HB       VAL   7  -5.039  -1.181  -0.630
   46   1HG1  VAL   7          1HG1      VAL   7  -7.760   0.016  -0.226
   47   2HG1  VAL   7          2HG1      VAL   7  -7.234  -1.604   0.226
   48   3HG1  VAL   7          3HG1      VAL   7  -7.365  -1.166  -1.477
   49   1HG2  VAL   7          1HG2      VAL   7  -4.638   1.284  -1.371
   50   2HG2  VAL   7          2HG2      VAL   7  -6.365   1.234  -1.729
   51   3HG2  VAL   7          3HG2      VAL   7  -5.266   0.098  -2.513
   52    H    HIS   8           H        HIS   8  -6.772   0.821   2.886
   53    HA   HIS   8           HA       HIS   8  -6.810  -1.970   3.805
   54   1HB   HIS   8          2HB       HIS   8  -7.427  -0.126   5.943
   55   2HB   HIS   8          1HB       HIS   8  -6.188  -1.372   5.883
   56    HD1  HIS   8          1HD       HIS   8  -6.054   1.661   7.046
   57    HD2  HIS   8          2HD       HIS   8  -4.307   0.135   3.608
   58    HE1  HIS   8          1HE       HIS   8  -4.142   3.190   6.531
   59    HE2  HIS   8          2HE       HIS   8  -2.988   2.151   4.556
   60    H    CYS   9           H        CYS   9  -8.745  -2.680   4.726
   61    HA   CYS   9           HA       CYS   9 -11.030  -1.007   3.998
   62   1HB   CYS   9          2HB       CYS   9 -11.162  -3.993   4.243
   63   2HB   CYS   9          1HB       CYS   9 -12.268  -2.906   3.413
   64    H    THR  10           H        THR  10 -11.080   0.033   5.928
   65    HA   THR  10           HA       THR  10 -11.352  -1.510   8.376
   66    HB   THR  10           HB       THR  10 -10.929   0.434   9.542
   67    HG1  THR  10          1HG       THR  10 -11.337   2.449   7.848
   68   1HG2  THR  10          1HG2      THR  10  -9.235   0.036   7.467
   69   2HG2  THR  10          2HG2      THR  10  -8.997   1.216   8.751
   70   3HG2  THR  10          3HG2      THR  10  -9.707   1.716   7.216
   71    H    LYS  11           H        LYS  11 -13.174  -1.836   9.449
   72    HA   LYS  11           HA       LYS  11 -15.347  -1.709  10.099
   73   1HB   LYS  11          2HB       LYS  11 -14.895   0.867   9.019
   74   2HB   LYS  11          1HB       LYS  11 -16.434   0.312   8.379
   75   1HG   LYS  11          2HG       LYS  11 -17.393   0.150  10.448
   76   2HG   LYS  11          1HG       LYS  11 -15.840   0.054  11.280
   77   1HD   LYS  11          2HD       LYS  11 -15.449   2.440  10.478
   78   2HD   LYS  11          1HD       LYS  11 -17.161   2.463  10.056
   79   1HE   LYS  11          2HE       LYS  11 -17.286   1.524  12.586
   80   2HE   LYS  11          1HE       LYS  11 -15.854   2.549  12.691
   81   1HZ   LYS  11          1HZ       LYS  11 -18.074   3.626  13.177
   82   2HZ   LYS  11          2HZ       LYS  11 -18.389   3.521  11.519
   83   3HZ   LYS  11          3HZ       LYS  11 -17.073   4.428  12.073
   84    H    SER  12           H        SER  12 -15.925  -0.512   6.840
   85    HA   SER  12           HA       SER  12 -16.595  -3.151   5.857
   86   1HB   SER  12          2HB       SER  12 -18.916  -1.982   5.141
   87   2HB   SER  12          1HB       SER  12 -18.730  -2.936   6.612
   88    HG   SER  12           HG       SER  12 -19.486  -0.453   6.458
   89    H    GLY  13           H        GLY  13 -14.830  -0.772   5.211
   90   1HA   GLY  13          2HA       GLY  13 -15.392  -0.816   2.356
   91   2HA   GLY  13          1HA       GLY  13 -15.447   0.763   3.121
   92    H    CYS  14           H        CYS  14 -13.643  -0.355   1.045
   93    HA   CYS  14           HA       CYS  14 -11.077  -0.369   2.413
   94   1HB   CYS  14          2HB       CYS  14 -11.624  -0.691  -0.527
   95   2HB   CYS  14          1HB       CYS  14 -10.105  -0.998   0.310
   96    H    SER  15           H        SER  15  -9.798   1.248   2.567
   97    HA   SER  15           HA       SER  15  -9.967   3.479   0.694
   98   1HB   SER  15          2HB       SER  15 -10.149   3.933   3.680
   99   2HB   SER  15          1HB       SER  15 -10.205   5.159   2.413
  100    HG   SER  15           HG       SER  15 -12.295   4.643   3.137
  101    H    VAL  16           H        VAL  16  -8.121   4.825   0.692
  102    HA   VAL  16           HA       VAL  16  -5.744   3.470   1.726
  103    HB   VAL  16           HB       VAL  16  -5.798   5.772  -0.204
  104   1HG1  VAL  16          1HG1      VAL  16  -3.746   4.013   0.928
  105   2HG1  VAL  16          2HG1      VAL  16  -3.601   5.624   0.234
  106   3HG1  VAL  16          3HG1      VAL  16  -3.649   4.217  -0.823
  107   1HG2  VAL  16          1HG2      VAL  16  -5.221   3.605  -1.724
  108   2HG2  VAL  16          2HG2      VAL  16  -6.795   4.415  -1.647
  109   3HG2  VAL  16          3HG2      VAL  16  -6.482   2.987  -0.648
  110    H    ASN  17           H        ASN  17  -4.651   4.241   3.397
  111    HA   ASN  17           HA       ASN  17  -5.389   6.697   4.658
  112   1HB   ASN  17          2HB       ASN  17  -3.683   4.435   5.260
  113   2HB   ASN  17          1HB       ASN  17  -2.908   5.952   5.710
  114   1HD2  ASN  17          1HD2      ASN  17  -3.546   6.966   7.491
  115   2HD2  ASN  17          2HD2      ASN  17  -4.881   6.499   8.484
  116    H    TRP  18           H        TRP  18  -3.302   5.848   2.134
  117    HA   TRP  18           HA       TRP  18  -1.878   6.990   0.813
  118   1HB   TRP  18          2HB       TRP  18  -3.215   9.283   2.242
  119   2HB   TRP  18          1HB       TRP  18  -1.995   9.534   0.988
  120    HD1  TRP  18           HD       TRP  18  -5.620   9.163   1.325
  121    HE1  TRP  18          1HE       TRP  18  -6.705   8.554  -0.924
  122    HE3  TRP  18          3HE       TRP  18  -1.432   7.839  -1.215
  123    HZ2  TRP  18          2HZ       TRP  18  -5.869   7.613  -3.454
  124    HZ3  TRP  18          3HZ       TRP  18  -1.643   7.079  -3.547
  125    HH2  TRP  18           HH       TRP  18  -3.820   6.954  -4.630
  126    H    GLY  19           H        GLY  19  -1.699   8.599   4.025
  127   1HA   GLY  19          2HA       GLY  19   1.082   8.997   3.868
  128   2HA   GLY  19          1HA       GLY  19   0.152   8.919   5.370
  129    H    GLU  20           H        GLU  20  -0.850   6.216   4.587
  130    HA   GLU  20           HA       GLU  20   1.273   4.670   5.756
  131   1HB   GLU  20          2HB       GLU  20  -1.556   4.176   4.930
  132   2HB   GLU  20          1HB       GLU  20  -0.486   2.789   5.071
  133   1HG   GLU  20          2HG       GLU  20  -1.586   2.999   7.139
  134   2HG   GLU  20          1HG       GLU  20   0.060   3.566   7.389
  135    H    ALA  21           H        ALA  21  -0.340   5.005   2.645
  136    HA   ALA  21           HA       ALA  21   1.099   2.982   1.262
  137   1HB   ALA  21          1HB       ALA  21  -0.148   3.612  -0.519
  138   2HB   ALA  21          2HB       ALA  21   0.154   5.328  -0.246
  139   3HB   ALA  21          3HB       ALA  21  -1.072   4.491   0.702
  140    H    PHE  22           H        PHE  22   1.526   6.427   1.772
  141    HA   PHE  22           HA       PHE  22   3.636   6.902  -0.008
  142   1HB   PHE  22          2HB       PHE  22   2.437   8.712   1.069
  143   2HB   PHE  22          1HB       PHE  22   2.957   8.158   2.660
  144    HD1  PHE  22          1HD       PHE  22   4.429   9.214  -0.598
  145    HD2  PHE  22          2HD       PHE  22   4.727   9.193   3.630
  146    HE1  PHE  22          1HE       PHE  22   6.371  10.718  -0.739
  147    HE2  PHE  22          2HE       PHE  22   6.673  10.699   3.507
  148    HZ   PHE  22           HZ       PHE  22   7.493  11.459   1.319
  149    H    SER  23           H        SER  23   3.476   5.675   3.249
  150    HA   SER  23           HA       SER  23   6.300   5.579   3.722
  151   1HB   SER  23          2HB       SER  23   4.329   5.439   5.441
  152   2HB   SER  23          1HB       SER  23   4.336   3.720   5.052
  153    HG   SER  23           HG       SER  23   6.101   3.488   6.173
  154    H    ALA  24           H        ALA  24   3.949   3.533   2.193
  155    HA   ALA  24           HA       ALA  24   5.553   1.164   2.050
  156   1HB   ALA  24          1HB       ALA  24   3.352   1.774   0.124
  157   2HB   ALA  24          2HB       ALA  24   2.972   1.449   1.815
  158   3HB   ALA  24          3HB       ALA  24   3.805   0.230   0.849
  159    H    GLY  25           H        GLY  25   4.714   3.791  -0.164
  160   1HA   GLY  25          2HA       GLY  25   6.192   2.874  -2.381
  161   2HA   GLY  25          1HA       GLY  25   5.709   4.541  -2.095
  162    H    VAL  26           H        VAL  26   7.062   5.122   0.258
  163    HA   VAL  26           HA       VAL  26   9.642   5.759  -0.694
  164    HB   VAL  26           HB       VAL  26   8.702   5.593   2.184
  165   1HG1  VAL  26          1HG1      VAL  26  11.092   5.660   2.135
  166   2HG1  VAL  26          2HG1      VAL  26  10.510   7.267   2.571
  167   3HG1  VAL  26          3HG1      VAL  26  11.081   6.949   0.932
  168   1HG2  VAL  26          1HG2      VAL  26   7.411   7.062   0.597
  169   2HG2  VAL  26          2HG2      VAL  26   8.879   8.039   0.460
  170   3HG2  VAL  26          3HG2      VAL  26   8.088   7.845   2.028
  171    H    HIS  27           H        HIS  27   8.491   3.075   1.313
  172    HA   HIS  27           HA       HIS  27  11.031   2.073   2.013
  173   1HB   HIS  27          2HB       HIS  27   8.365   0.678   1.667
  174   2HB   HIS  27          1HB       HIS  27   9.793  -0.098   2.345
  175    HD1  HIS  27          1HD       HIS  27   9.572   3.361   3.371
  176    HD2  HIS  27          2HD       HIS  27   8.016  -0.260   4.680
  177    HE1  HIS  27          1HE       HIS  27   8.795   3.773   5.708
  178    HE2  HIS  27          2HE       HIS  27   7.750   1.608   6.450
  179    H    ARG  28           H        ARG  28   8.922   1.611  -0.744
  180    HA   ARG  28           HA       ARG  28  10.523  -0.361  -2.047
  181   1HB   ARG  28          2HB       ARG  28   8.147  -0.221  -2.481
  182   2HB   ARG  28          1HB       ARG  28   8.306   1.432  -3.048
  183   1HG   ARG  28          2HG       ARG  28   8.044  -0.011  -4.929
  184   2HG   ARG  28          1HG       ARG  28   9.698   0.604  -4.919
  185   1HD   ARG  28          2HD       ARG  28   9.340  -1.910  -3.459
  186   2HD   ARG  28          1HD       ARG  28   8.992  -2.022  -5.185
  187    HE   ARG  28           HE       ARG  28  11.442  -0.658  -4.684
  188   1HH1  ARG  28          1HH1      ARG  28  10.008  -3.832  -4.860
  189   2HH1  ARG  28          2HH1      ARG  28  11.492  -4.617  -5.281
  190   1HH2  ARG  28          1HH2      ARG  28  13.395  -1.687  -5.242
  191   2HH2  ARG  28          2HH2      ARG  28  13.416  -3.400  -5.498
  192    H    LEU  29           H        LEU  29  10.065   3.151  -2.507
  193    HA   LEU  29           HA       LEU  29  11.933   3.291  -4.646
  194   1HB   LEU  29          2HB       LEU  29  11.347   5.476  -4.887
  195   2HB   LEU  29          1HB       LEU  29   9.926   4.838  -4.091
  196    HG   LEU  29           HG       LEU  29  11.213   5.660  -1.916
  197   1HD1  LEU  29          1HD1      LEU  29  12.398   7.229  -4.179
  198   2HD1  LEU  29          2HD1      LEU  29  13.210   6.479  -2.806
  199   3HD1  LEU  29          3HD1      LEU  29  12.230   7.925  -2.568
  200   1HD2  LEU  29          1HD2      LEU  29   9.011   6.396  -2.496
  201   2HD2  LEU  29          2HD2      LEU  29   9.630   7.366  -3.832
  202   3HD2  LEU  29          3HD2      LEU  29   9.992   7.824  -2.167
  203    H    ALA  30           H        ALA  30  12.092   4.053  -1.230
  204    HA   ALA  30           HA       ALA  30  14.706   5.175  -1.320
  205   1HB   ALA  30          1HB       ALA  30  14.503   5.445   0.984
  206   2HB   ALA  30          2HB       ALA  30  13.421   4.061   1.144
  207   3HB   ALA  30          3HB       ALA  30  12.842   5.550   0.397
  208    H    ASN  31           H        ASN  31  13.563   1.926  -1.237
  209    HA   ASN  31           HA       ASN  31  15.859   0.833   0.091
  210   1HB   ASN  31          2HB       ASN  31  13.785  -0.395   0.199
  211   2HB   ASN  31          1HB       ASN  31  13.686  -0.482  -1.561
  212   1HD2  ASN  31          1HD2      ASN  31  14.808  -1.945   1.272
  213   2HD2  ASN  31          2HD2      ASN  31  15.716  -3.223   0.548
  214    H    GLY  32           H        GLY  32  17.545   1.828  -1.105
  215   1HA   GLY  32          2HA       GLY  32  18.667   0.184  -3.102
  216   2HA   GLY  32          1HA       GLY  32  17.957   1.603  -3.860
  217    H    GLY  33           H        GLY  33  18.502   3.575  -2.028
  218   1HA   GLY  33          2HA       GLY  33  21.448   3.678  -2.174
  219   2HA   GLY  33          1HA       GLY  33  20.386   5.074  -2.223
  220    H    ASN  34           H        ASN  34  19.217   2.977   0.092
  221    HA   ASN  34           HA       ASN  34  20.301   4.649   2.209
  222   1HB   ASN  34          2HB       ASN  34  17.842   4.071   2.036
  223   2HB   ASN  34          1HB       ASN  34  18.278   2.424   2.487
  224   1HD2  ASN  34          1HD2      ASN  34  16.855   4.907   3.733
  225   2HD2  ASN  34          2HD2      ASN  34  17.455   4.901   5.353
  226    H    GLY  35           H        GLY  35  20.115   1.191   1.385
  227   1HA   GLY  35          2HA       GLY  35  22.651   0.468   2.080
  228   2HA   GLY  35          1HA       GLY  35  21.781   0.434   3.605
  229    H    PHE  36           H        PHE  36  22.876  -1.503   1.281
  230    HA   PHE  36           HA       PHE  36  22.526  -3.695   0.808
  231   1HB   PHE  36          2HB       PHE  36  21.093  -3.273   3.246
  232   2HB   PHE  36          1HB       PHE  36  20.156  -4.357   2.234
  233    HD1  PHE  36          1HD       PHE  36  22.083  -5.975   0.872
  234    HD2  PHE  36          2HD       PHE  36  22.194  -4.472   4.853
  235    HE1  PHE  36          1HE       PHE  36  23.567  -7.824   1.526
  236    HE2  PHE  36          2HE       PHE  36  23.678  -6.320   5.513
  237    HZ   PHE  36           HZ       PHE  36  24.367  -7.998   3.848
  238    H    TRP  37           H        TRP  37  19.948  -5.050   0.602
  239    HA   TRP  37           HA       TRP  37  18.347  -3.484  -1.241
  240   1HB   TRP  37          2HB       TRP  37  20.316  -5.496  -2.139
  241   2HB   TRP  37          1HB       TRP  37  18.702  -5.709  -2.802
  242    HD1  TRP  37           HD       TRP  37  17.901  -2.697  -3.322
  243    HE1  TRP  37          1HE       TRP  37  19.105  -1.351  -5.159
  244    HE3  TRP  37          3HE       TRP  37  22.173  -5.475  -3.694
  245    HZ2  TRP  37          2HZ       TRP  37  21.545  -1.459  -6.581
  246    HZ3  TRP  37          3HZ       TRP  37  23.892  -4.791  -5.316
  247    HH2  TRP  37           HH       TRP  37  23.583  -2.824  -6.729
  Start of MODEL    4
    1    HA   LYS   1           HA       LYS   1  -7.237  -5.818   8.214
    2   1HB   LYS   1          2HB       LYS   1  -8.032  -6.567   5.907
    3   2HB   LYS   1          1HB       LYS   1  -9.155  -6.809   7.236
    4   1HG   LYS   1          2HG       LYS   1 -10.081  -4.480   6.486
    5   2HG   LYS   1          1HG       LYS   1  -9.291  -4.891   4.963
    6   1HD   LYS   1          2HD       LYS   1 -11.293  -6.646   6.383
    7   2HD   LYS   1          1HD       LYS   1 -11.680  -5.552   5.054
    8   1HE   LYS   1          2HE       LYS   1  -9.447  -7.218   4.352
    9   2HE   LYS   1          1HE       LYS   1 -10.806  -8.209   4.884
   10   1HZ   LYS   1          1HZ       LYS   1 -12.197  -6.858   3.314
   11   2HZ   LYS   1          2HZ       LYS   1 -11.070  -7.884   2.580
   12   3HZ   LYS   1          3HZ       LYS   1 -10.759  -6.224   2.686
   13    H    TYR   2           H        TYR   2  -5.289  -4.822   7.944
   14    HA   TYR   2           HA       TYR   2  -4.959  -2.723   6.009
   15   1HB   TYR   2          2HB       TYR   2  -3.595  -3.464   8.293
   16   2HB   TYR   2          1HB       TYR   2  -2.483  -3.876   6.987
   17    HD1  TYR   2          1HD       TYR   2  -4.614  -1.166   8.251
   18    HD2  TYR   2          2HD       TYR   2  -1.203  -2.206   5.973
   19    HE1  TYR   2          1HE       TYR   2  -3.997   1.218   8.096
   20    HE2  TYR   2          2HE       TYR   2  -0.577   0.146   5.779
   21    HH   TYR   2           HH       TYR   2  -2.354   2.560   6.095
   22    H    TYR   3           H        TYR   3  -3.901  -2.828   4.071
   23    HA   TYR   3           HA       TYR   3  -3.486  -5.527   2.987
   24   1HB   TYR   3          2HB       TYR   3  -4.435  -2.944   1.936
   25   2HB   TYR   3          1HB       TYR   3  -3.434  -3.878   0.820
   26    HD1  TYR   3          1HD       TYR   3  -6.228  -4.423   3.214
   27    HD2  TYR   3          2HD       TYR   3  -4.567  -5.308  -0.584
   28    HE1  TYR   3          1HE       TYR   3  -8.152  -5.886   2.734
   29    HE2  TYR   3          2HE       TYR   3  -6.487  -6.776  -1.090
   30    HH   TYR   3           HH       TYR   3  -9.306  -6.845   0.893
   31    H    GLY   4           H        GLY   4  -1.494  -4.212   4.671
   32   1HA   GLY   4          2HA       GLY   4   0.728  -3.594   4.704
   33   2HA   GLY   4          1HA       GLY   4   0.879  -4.890   3.524
   34    H    ASN   5           H        ASN   5  -1.033  -2.123   2.732
   35    HA   ASN   5           HA       ASN   5   1.121  -0.769   1.322
   36   1HB   ASN   5          2HB       ASN   5  -1.092  -2.300   0.027
   37   2HB   ASN   5          1HB       ASN   5  -0.646  -0.755  -0.692
   38   1HD2  ASN   5          1HD2      ASN   5   0.103  -4.042  -0.418
   39   2HD2  ASN   5          2HD2      ASN   5   1.603  -4.024  -1.276
   40    H    GLY   6           H        GLY   6  -0.394  -0.069   3.592
   41   1HA   GLY   6          2HA       GLY   6  -1.727   1.600   4.435
   42   2HA   GLY   6          1HA       GLY   6  -1.215   2.514   3.026
   43    H    VAL   7           H        VAL   7  -3.211  -0.421   3.302
   44    HA   VAL   7           HA       VAL   7  -5.519   1.088   2.324
   45    HB   VAL   7           HB       VAL   7  -4.416  -1.347   0.929
   46   1HG1  VAL   7          1HG1      VAL   7  -6.695  -1.804   1.045
   47   2HG1  VAL   7          2HG1      VAL   7  -6.529  -0.959  -0.496
   48   3HG1  VAL   7          3HG1      VAL   7  -7.131  -0.098   0.925
   49   1HG2  VAL   7          1HG2      VAL   7  -4.075  -0.020  -0.884
   50   2HG2  VAL   7          2HG2      VAL   7  -3.805   1.166   0.395
   51   3HG2  VAL   7          3HG2      VAL   7  -5.359   1.102  -0.434
   52    H    HIS   8           H        HIS   8  -6.922   0.753   3.897
   53    HA   HIS   8           HA       HIS   8  -7.271  -1.982   4.887
   54   1HB   HIS   8          2HB       HIS   8  -8.714  -0.082   6.482
   55   2HB   HIS   8          1HB       HIS   8  -7.411  -1.158   6.969
   56    HD1  HIS   8          1HD       HIS   8  -7.996   1.933   7.785
   57    HD2  HIS   8          2HD       HIS   8  -4.998   0.443   5.327
   58    HE1  HIS   8          1HE       HIS   8  -6.182   3.663   7.827
   59    HE2  HIS   8          2HE       HIS   8  -4.403   2.777   6.276
   60    H    CYS   9           H        CYS   9  -9.452  -2.773   5.082
   61    HA   CYS   9           HA       CYS   9 -11.334  -1.244   3.431
   62   1HB   CYS   9          2HB       CYS   9 -10.318  -3.782   2.902
   63   2HB   CYS   9          1HB       CYS   9 -11.953  -4.061   3.487
   64    H    THR  10           H        THR  10 -11.966  -0.252   5.378
   65    HA   THR  10           HA       THR  10 -13.371  -1.928   7.305
   66    HB   THR  10           HB       THR  10 -13.086  -0.259   8.833
   67    HG1  THR  10          1HG       THR  10 -13.257   1.677   6.773
   68   1HG2  THR  10          1HG2      THR  10 -11.112   0.792   6.820
   69   2HG2  THR  10          2HG2      THR  10 -10.817  -0.568   7.905
   70   3HG2  THR  10          3HG2      THR  10 -11.087   1.046   8.564
   71    H    LYS  11           H        LYS  11 -15.473  -2.009   7.581
   72    HA   LYS  11           HA       LYS  11 -17.695  -1.551   7.452
   73   1HB   LYS  11          2HB       LYS  11 -16.800   0.824   5.820
   74   2HB   LYS  11          1HB       LYS  11 -18.489   0.425   6.070
   75   1HG   LYS  11          2HG       LYS  11 -16.790   0.601   8.466
   76   2HG   LYS  11          1HG       LYS  11 -17.139   2.100   7.607
   77   1HD   LYS  11          2HD       LYS  11 -19.404   0.259   8.135
   78   2HD   LYS  11          1HD       LYS  11 -18.741   1.147   9.510
   79   1HE   LYS  11          2HE       LYS  11 -18.923   3.179   7.834
   80   2HE   LYS  11          1HE       LYS  11 -20.149   2.154   7.088
   81   1HZ   LYS  11          1HZ       LYS  11 -20.133   2.910   9.957
   82   2HZ   LYS  11          2HZ       LYS  11 -21.358   2.087   9.131
   83   3HZ   LYS  11          3HZ       LYS  11 -21.038   3.708   8.769
   84    H    SER  12           H        SER  12 -17.087  -0.309   4.261
   85    HA   SER  12           HA       SER  12 -17.628  -2.888   3.019
   86   1HB   SER  12          2HB       SER  12 -19.455  -1.705   1.594
   87   2HB   SER  12          1HB       SER  12 -19.875  -2.295   3.202
   88    HG   SER  12           HG       SER  12 -19.689   0.291   2.252
   89    H    GLY  13           H        GLY  13 -15.533  -0.687   3.094
   90   1HA   GLY  13          2HA       GLY  13 -14.961  -0.779   0.259
   91   2HA   GLY  13          1HA       GLY  13 -15.251   0.835   0.891
   92    H    CYS  14           H        CYS  14 -12.806   0.011  -0.257
   93    HA   CYS  14           HA       CYS  14 -11.055  -0.372   2.025
   94   1HB   CYS  14          2HB       CYS  14 -10.601  -0.496  -0.927
   95   2HB   CYS  14          1HB       CYS  14  -9.260  -0.365   0.200
   96    H    SER  15           H        SER  15  -9.830   1.067   2.899
   97    HA   SER  15           HA       SER  15  -9.895   3.795   1.783
   98   1HB   SER  15          2HB       SER  15  -9.517   2.929   4.663
   99   2HB   SER  15          1HB       SER  15  -9.586   4.594   4.085
  100    HG   SER  15           HG       SER  15 -11.682   2.714   3.750
  101    H    VAL  16           H        VAL  16  -7.925   5.056   2.924
  102    HA   VAL  16           HA       VAL  16  -5.519   3.437   2.876
  103    HB   VAL  16           HB       VAL  16  -5.852   5.805   1.041
  104   1HG1  VAL  16          1HG1      VAL  16  -3.519   4.298   0.487
  105   2HG1  VAL  16          2HG1      VAL  16  -3.538   4.617   2.219
  106   3HG1  VAL  16          3HG1      VAL  16  -3.628   5.956   1.079
  107   1HG2  VAL  16          1HG2      VAL  16  -5.938   2.875   0.635
  108   2HG2  VAL  16          2HG2      VAL  16  -5.141   3.865  -0.594
  109   3HG2  VAL  16          3HG2      VAL  16  -6.836   4.158  -0.188
  110    H    ASN  17           H        ASN  17  -3.941   4.210   4.168
  111    HA   ASN  17           HA       ASN  17  -4.503   6.734   5.567
  112   1HB   ASN  17          2HB       ASN  17  -4.256   4.623   6.913
  113   2HB   ASN  17          1HB       ASN  17  -2.580   4.543   6.373
  114   1HD2  ASN  17          1HD2      ASN  17  -2.314   4.580   8.767
  115   2HD2  ASN  17          2HD2      ASN  17  -2.161   6.124   9.527
  116    H    TRP  18           H        TRP  18  -3.401   6.399   2.915
  117    HA   TRP  18           HA       TRP  18  -1.424   6.636   1.681
  118   1HB   TRP  18          2HB       TRP  18  -2.499   9.232   2.732
  119   2HB   TRP  18          1HB       TRP  18  -1.176   9.201   1.562
  120    HD1  TRP  18           HD       TRP  18  -4.797   9.430   1.579
  121    HE1  TRP  18          1HE       TRP  18  -5.821   8.653  -0.643
  122    HE3  TRP  18          3HE       TRP  18  -0.738   7.067  -0.389
  123    HZ2  TRP  18          2HZ       TRP  18  -5.019   7.206  -2.925
  124    HZ3  TRP  18          3HZ       TRP  18  -0.945   5.999  -2.593
  125    HH2  TRP  18           HH       TRP  18  -3.046   6.066  -3.827
  126    H    GLY  19           H        GLY  19  -0.899   8.748   4.547
  127   1HA   GLY  19          2HA       GLY  19   1.831   8.944   4.338
  128   2HA   GLY  19          1HA       GLY  19   0.990   8.872   5.887
  129    H    GLU  20           H        GLU  20  -0.059   6.194   5.425
  130    HA   GLU  20           HA       GLU  20   2.192   4.677   6.364
  131   1HB   GLU  20          2HB       GLU  20  -0.675   4.349   6.272
  132   2HB   GLU  20          1HB       GLU  20   0.109   2.894   5.664
  133   1HG   GLU  20          2HG       GLU  20   1.187   4.041   8.161
  134   2HG   GLU  20          1HG       GLU  20  -0.413   3.308   8.242
  135    H    ALA  21           H        ALA  21   0.209   4.764   3.435
  136    HA   ALA  21           HA       ALA  21   1.597   2.705   2.044
  137   1HB   ALA  21          1HB       ALA  21   0.213   4.954   0.669
  138   2HB   ALA  21          2HB       ALA  21  -0.728   3.818   1.634
  139   3HB   ALA  21          3HB       ALA  21   0.224   3.236   0.267
  140    H    PHE  22           H        PHE  22   1.929   6.165   2.362
  141    HA   PHE  22           HA       PHE  22   3.696   6.725   0.271
  142   1HB   PHE  22          2HB       PHE  22   2.544   8.414   1.710
  143   2HB   PHE  22          1HB       PHE  22   3.620   7.973   3.033
  144    HD1  PHE  22          1HD       PHE  22   6.105   8.350   2.734
  145    HD2  PHE  22          2HD       PHE  22   3.180   9.980   0.105
  146    HE1  PHE  22          1HE       PHE  22   7.748   9.996   1.933
  147    HE2  PHE  22          2HE       PHE  22   4.817  11.630  -0.697
  148    HZ   PHE  22           HZ       PHE  22   7.106  11.638   0.214
  149    H    SER  23           H        SER  23   4.151   5.508   3.512
  150    HA   SER  23           HA       SER  23   7.016   5.549   3.475
  151   1HB   SER  23          2HB       SER  23   5.348   3.657   5.138
  152   2HB   SER  23          1HB       SER  23   6.915   4.366   5.528
  153    HG   SER  23           HG       SER  23   5.121   5.356   6.624
  154    H    ALA  24           H        ALA  24   4.528   3.338   2.460
  155    HA   ALA  24           HA       ALA  24   6.218   1.065   2.049
  156   1HB   ALA  24          1HB       ALA  24   4.324   0.003   1.264
  157   2HB   ALA  24          2HB       ALA  24   3.675   1.478   0.545
  158   3HB   ALA  24          3HB       ALA  24   3.614   1.248   2.294
  159    H    GLY  25           H        GLY  25   4.844   3.576  -0.017
  160   1HA   GLY  25          2HA       GLY  25   5.938   2.618  -2.447
  161   2HA   GLY  25          1HA       GLY  25   5.316   4.236  -2.164
  162    H    VAL  26           H        VAL  26   7.106   4.963  -0.061
  163    HA   VAL  26           HA       VAL  26   9.270   5.920  -1.606
  164    HB   VAL  26           HB       VAL  26   8.969   5.791   1.409
  165   1HG1  VAL  26          1HG1      VAL  26  11.299   6.005   0.877
  166   2HG1  VAL  26          2HG1      VAL  26  10.702   7.581   1.395
  167   3HG1  VAL  26          3HG1      VAL  26  10.957   7.253  -0.321
  168   1HG2  VAL  26          1HG2      VAL  26   8.063   7.919   1.331
  169   2HG2  VAL  26          2HG2      VAL  26   7.340   7.150  -0.083
  170   3HG2  VAL  26          3HG2      VAL  26   8.705   8.247  -0.280
  171    H    HIS  27           H        HIS  27   8.993   3.202   0.653
  172    HA   HIS  27           HA       HIS  27  11.723   2.558   0.765
  173   1HB   HIS  27          2HB       HIS  27   9.331   0.705   0.936
  174   2HB   HIS  27          1HB       HIS  27  10.969   0.298   1.425
  175    HD1  HIS  27          1HD       HIS  27  10.456   3.663   2.411
  176    HD2  HIS  27          2HD       HIS  27   9.302  -0.028   3.921
  177    HE1  HIS  27          1HE       HIS  27   9.862   4.073   4.805
  178    HE2  HIS  27          2HE       HIS  27   9.060   1.854   5.677
  179    H    ARG  28           H        ARG  28   9.149   1.413  -1.401
  180    HA   ARG  28           HA       ARG  28  10.844  -0.227  -2.980
  181   1HB   ARG  28          2HB       ARG  28   8.118   0.962  -3.486
  182   2HB   ARG  28          1HB       ARG  28   8.919  -0.116  -4.621
  183   1HG   ARG  28          2HG       ARG  28   9.097  -1.571  -2.355
  184   2HG   ARG  28          1HG       ARG  28   7.591  -0.697  -2.068
  185   1HD   ARG  28          2HD       ARG  28   6.630  -2.319  -3.276
  186   2HD   ARG  28          1HD       ARG  28   7.317  -1.491  -4.673
  187    HE   ARG  28           HE       ARG  28   8.673  -3.290  -4.978
  188   1HH1  ARG  28          1HH1      ARG  28   7.688  -3.242  -1.628
  189   2HH1  ARG  28          2HH1      ARG  28   8.489  -4.727  -1.243
  190   1HH2  ARG  28          1HH2      ARG  28   9.725  -5.245  -4.470
  191   2HH2  ARG  28          2HH2      ARG  28   9.645  -5.864  -2.853
  192    H    LEU  29           H        LEU  29   9.634   3.087  -3.363
  193    HA   LEU  29           HA       LEU  29  10.759   3.521  -5.931
  194   1HB   LEU  29          2HB       LEU  29   9.863   5.449  -3.808
  195   2HB   LEU  29          1HB       LEU  29  10.327   5.918  -5.433
  196    HG   LEU  29           HG       LEU  29   7.947   4.302  -4.590
  197   1HD1  LEU  29          1HD1      LEU  29   7.521   6.607  -4.442
  198   2HD1  LEU  29          2HD1      LEU  29   6.822   6.095  -5.978
  199   3HD1  LEU  29          3HD1      LEU  29   8.371   6.939  -5.949
  200   1HD2  LEU  29          1HD2      LEU  29   9.103   4.691  -7.333
  201   2HD2  LEU  29          2HD2      LEU  29   7.463   4.118  -7.023
  202   3HD2  LEU  29          3HD2      LEU  29   8.851   3.170  -6.479
  203    H    ALA  30           H        ALA  30  11.590   4.760  -2.791
  204    HA   ALA  30           HA       ALA  30  13.950   6.079  -3.536
  205   1HB   ALA  30          1HB       ALA  30  12.529   6.414  -1.472
  206   2HB   ALA  30          2HB       ALA  30  14.278   6.490  -1.248
  207   3HB   ALA  30          3HB       ALA  30  13.388   5.040  -0.780
  208    H    ASN  31           H        ASN  31  13.451   2.712  -3.073
  209    HA   ASN  31           HA       ASN  31  16.203   2.205  -2.321
  210   1HB   ASN  31          2HB       ASN  31  14.326   0.765  -1.506
  211   2HB   ASN  31          1HB       ASN  31  14.120   0.179  -3.158
  212   1HD2  ASN  31          1HD2      ASN  31  15.422  -1.402  -3.886
  213   2HD2  ASN  31          2HD2      ASN  31  16.712  -2.107  -2.977
  214    H    GLY  32           H        GLY  32  14.202   2.031  -5.205
  215   1HA   GLY  32          2HA       GLY  32  14.721   1.613  -7.411
  216   2HA   GLY  32          1HA       GLY  32  16.192   2.493  -7.038
  217    H    GLY  33           H        GLY  33  14.791  -0.605  -7.663
  218   1HA   GLY  33          2HA       GLY  33  16.042  -2.376  -8.599
  219   2HA   GLY  33          1HA       GLY  33  17.485  -1.730  -7.830
  220    H    ASN  34           H        ASN  34  16.367  -4.435  -7.805
  221    HA   ASN  34           HA       ASN  34  15.407  -4.861  -5.112
  222   1HB   ASN  34          2HB       ASN  34  15.756  -6.493  -7.545
  223   2HB   ASN  34          1HB       ASN  34  16.048  -7.355  -6.038
  224   1HD2  ASN  34          1HD2      ASN  34  14.302  -8.563  -5.775
  225   2HD2  ASN  34          2HD2      ASN  34  12.673  -7.989  -5.768
  226    H    GLY  35           H        GLY  35  17.394  -3.707  -4.296
  227   1HA   GLY  35          2HA       GLY  35  19.894  -5.136  -4.386
  228   2HA   GLY  35          1HA       GLY  35  19.545  -3.693  -3.449
  229    H    PHE  36           H        PHE  36  17.284  -4.757  -2.036
  230    HA   PHE  36           HA       PHE  36  16.709  -6.069  -0.248
  231   1HB   PHE  36          2HB       PHE  36  18.120  -7.851  -1.709
  232   2HB   PHE  36          1HB       PHE  36  19.160  -7.741  -0.294
  233    HD1  PHE  36          1HD       PHE  36  17.841  -7.870   2.008
  234    HD2  PHE  36          2HD       PHE  36  16.471  -9.441  -1.701
  235    HE1  PHE  36          1HE       PHE  36  16.372  -9.430   3.216
  236    HE2  PHE  36          2HE       PHE  36  14.998 -11.004  -0.500
  237    HZ   PHE  36           HZ       PHE  36  14.947 -10.999   1.963
  238    H    TRP  37           H        TRP  37  16.871  -4.929   1.560
  239    HA   TRP  37           HA       TRP  37  19.276  -4.964   3.119
  240   1HB   TRP  37          2HB       TRP  37  18.782  -2.689   1.406
  241   2HB   TRP  37          1HB       TRP  37  18.739  -2.200   3.095
  242    HD1  TRP  37           HD       TRP  37  21.112  -3.741   0.494
  243    HE1  TRP  37          1HE       TRP  37  23.531  -3.414   1.308
  244    HE3  TRP  37          3HE       TRP  37  20.160  -1.826   5.143
  245    HZ2  TRP  37          2HZ       TRP  37  24.862  -2.473   3.611
  246    HZ3  TRP  37          3HZ       TRP  37  22.065  -1.239   6.587
  247    HH2  TRP  37           HH       TRP  37  24.366  -1.557   5.836
  Start of MODEL    5
    1    HA   LYS   1           HA       LYS   1  -7.329  -5.557   7.696
    2   1HB   LYS   1          2HB       LYS   1  -9.000  -6.545   6.427
    3   2HB   LYS   1          1HB       LYS   1  -9.397  -5.045   5.599
    4   1HG   LYS   1          2HG       LYS   1  -7.737  -5.297   4.038
    5   2HG   LYS   1          1HG       LYS   1  -6.761  -6.328   5.085
    6   1HD   LYS   1          2HD       LYS   1  -9.423  -7.203   3.986
    7   2HD   LYS   1          1HD       LYS   1  -7.910  -7.459   3.114
    8   1HE   LYS   1          2HE       LYS   1  -7.153  -9.015   4.607
    9   2HE   LYS   1          1HE       LYS   1  -8.052  -8.317   5.954
   10   1HZ   LYS   1          1HZ       LYS   1  -8.759 -10.565   4.741
   11   2HZ   LYS   1          2HZ       LYS   1  -9.645  -9.466   3.809
   12   3HZ   LYS   1          3HZ       LYS   1  -9.873  -9.532   5.484
   13    H    TYR   2           H        TYR   2  -5.373  -4.423   7.749
   14    HA   TYR   2           HA       TYR   2  -4.859  -2.365   5.813
   15   1HB   TYR   2          2HB       TYR   2  -3.811  -2.965   8.283
   16   2HB   TYR   2          1HB       TYR   2  -2.511  -3.419   7.179
   17    HD1  TYR   2          1HD       TYR   2  -4.872  -0.722   7.946
   18    HD2  TYR   2          2HD       TYR   2  -1.117  -1.757   6.296
   19    HE1  TYR   2          1HE       TYR   2  -4.320   1.663   7.731
   20    HE2  TYR   2          2HE       TYR   2  -0.553   0.616   6.049
   21    HH   TYR   2           HH       TYR   2  -2.321   3.090   7.564
   22    H    TYR   3           H        TYR   3  -3.613  -2.501   4.008
   23    HA   TYR   3           HA       TYR   3  -2.914  -5.225   3.121
   24   1HB   TYR   3          2HB       TYR   3  -3.898  -2.775   1.758
   25   2HB   TYR   3          1HB       TYR   3  -2.789  -3.798   0.843
   26    HD1  TYR   3          1HD       TYR   3  -6.169  -3.340   1.948
   27    HD2  TYR   3          2HD       TYR   3  -3.391  -6.262   0.587
   28    HE1  TYR   3          1HE       TYR   3  -8.032  -4.849   1.399
   29    HE2  TYR   3          2HE       TYR   3  -5.246  -7.780   0.035
   30    HH   TYR   3           HH       TYR   3  -8.343  -6.853  -0.304
   31    H    GLY   4           H        GLY   4  -1.197  -3.753   4.888
   32   1HA   GLY   4          2HA       GLY   4   0.953  -2.925   5.092
   33   2HA   GLY   4          1HA       GLY   4   1.307  -4.229   3.967
   34    H    ASN   5           H        ASN   5  -0.722  -1.608   2.968
   35    HA   ASN   5           HA       ASN   5   1.458  -0.166   1.680
   36   1HB   ASN   5          2HB       ASN   5  -0.452  -1.936   0.299
   37   2HB   ASN   5          1HB       ASN   5  -0.342  -0.320  -0.390
   38   1HD2  ASN   5          1HD2      ASN   5   0.895  -0.434  -2.113
   39   2HD2  ASN   5          2HD2      ASN   5   2.428  -1.224  -2.212
   40    H    GLY   6           H        GLY   6  -0.402   0.426   3.831
   41   1HA   GLY   6          2HA       GLY   6  -1.788   2.128   4.515
   42   2HA   GLY   6          1HA       GLY   6  -1.205   3.006   3.113
   43    H    VAL   7           H        VAL   7  -3.138   0.048   3.417
   44    HA   VAL   7           HA       VAL   7  -5.461   1.389   2.280
   45    HB   VAL   7           HB       VAL   7  -3.980  -0.780   0.832
   46   1HG1  VAL   7          1HG1      VAL   7  -6.188  -0.712  -0.581
   47   2HG1  VAL   7          2HG1      VAL   7  -6.889  -0.205   0.958
   48   3HG1  VAL   7          3HG1      VAL   7  -6.063  -1.760   0.835
   49   1HG2  VAL   7          1HG2      VAL   7  -5.262   1.096  -0.842
   50   2HG2  VAL   7          2HG2      VAL   7  -3.531   0.913  -0.547
   51   3HG2  VAL   7          3HG2      VAL   7  -4.491   2.005   0.454
   52    H    HIS   8           H        HIS   8  -6.937   0.902   3.703
   53    HA   HIS   8           HA       HIS   8  -7.202  -1.898   4.536
   54   1HB   HIS   8          2HB       HIS   8  -8.563  -0.442   6.454
   55   2HB   HIS   8          1HB       HIS   8  -6.966  -1.155   6.645
   56    HD1  HIS   8          1HD       HIS   8  -8.467   1.822   7.443
   57    HD2  HIS   8          2HD       HIS   8  -5.065   0.901   5.246
   58    HE1  HIS   8          1HE       HIS   8  -7.076   3.918   7.466
   59    HE2  HIS   8          2HE       HIS   8  -4.954   3.288   6.257
   60    H    CYS   9           H        CYS   9  -9.308  -2.698   4.772
   61    HA   CYS   9           HA       CYS   9 -11.376  -1.032   3.543
   62   1HB   CYS   9          2HB       CYS   9 -11.220  -3.997   3.096
   63   2HB   CYS   9          1HB       CYS   9 -12.176  -2.803   2.229
   64    H    THR  10           H        THR  10 -12.270  -0.497   5.466
   65    HA   THR  10           HA       THR  10 -13.060  -2.641   7.283
   66    HB   THR  10           HB       THR  10 -13.239  -1.059   8.968
   67    HG1  THR  10          1HG       THR  10 -13.717   0.821   6.915
   68   1HG2  THR  10          1HG2      THR  10 -11.384   0.457   8.899
   69   2HG2  THR  10          2HG2      THR  10 -11.281   0.310   7.144
   70   3HG2  THR  10          3HG2      THR  10 -10.910  -1.077   8.170
   71    H    LYS  11           H        LYS  11 -14.925  -3.532   7.153
   72    HA   LYS  11           HA       LYS  11 -17.199  -3.735   7.196
   73   1HB   LYS  11          2HB       LYS  11 -17.318  -0.861   6.263
   74   2HB   LYS  11          1HB       LYS  11 -18.699  -1.858   6.670
   75   1HG   LYS  11          2HG       LYS  11 -16.547  -1.470   8.678
   76   2HG   LYS  11          1HG       LYS  11 -17.711  -0.181   8.385
   77   1HD   LYS  11          2HD       LYS  11 -18.671  -2.971   8.846
   78   2HD   LYS  11          1HD       LYS  11 -18.182  -1.980  10.221
   79   1HE   LYS  11          2HE       LYS  11 -20.505  -1.650   9.990
   80   2HE   LYS  11          1HE       LYS  11 -19.747  -0.204   9.323
   81   1HZ   LYS  11          1HZ       LYS  11 -21.641  -1.358   8.030
   82   2HZ   LYS  11          2HZ       LYS  11 -20.440  -2.447   7.547
   83   3HZ   LYS  11          3HZ       LYS  11 -20.286  -0.803   7.181
   84    H    SER  12           H        SER  12 -17.107  -1.462   4.515
   85    HA   SER  12           HA       SER  12 -17.061  -3.628   2.575
   86   1HB   SER  12          2HB       SER  12 -19.187  -2.883   1.515
   87   2HB   SER  12          1HB       SER  12 -19.418  -3.550   3.131
   88    HG   SER  12           HG       SER  12 -19.321  -1.282   3.848
   89    H    GLY  13           H        GLY  13 -15.350  -1.358   3.184
   90   1HA   GLY  13          2HA       GLY  13 -15.119  -0.323   0.496
   91   2HA   GLY  13          1HA       GLY  13 -15.542   0.893   1.694
   92    H    CYS  14           H        CYS  14 -13.077   0.424   0.023
   93    HA   CYS  14           HA       CYS  14 -11.111  -0.005   2.134
   94   1HB   CYS  14          2HB       CYS  14 -10.666   0.295  -0.824
   95   2HB   CYS  14          1HB       CYS  14  -9.456  -0.127   0.383
   96    H    SER  15           H        SER  15  -9.718   1.428   2.832
   97    HA   SER  15           HA       SER  15  -9.888   4.175   1.761
   98   1HB   SER  15          2HB       SER  15  -9.462   4.917   4.169
   99   2HB   SER  15          1HB       SER  15 -11.069   4.277   3.827
  100    HG   SER  15           HG       SER  15  -8.951   2.703   4.860
  101    H    VAL  16           H        VAL  16  -7.937   5.511   2.606
  102    HA   VAL  16           HA       VAL  16  -5.540   3.826   2.764
  103    HB   VAL  16           HB       VAL  16  -5.770   6.211   0.924
  104   1HG1  VAL  16          1HG1      VAL  16  -3.520   5.085   2.103
  105   2HG1  VAL  16          2HG1      VAL  16  -3.555   6.151   0.699
  106   3HG1  VAL  16          3HG1      VAL  16  -3.557   4.402   0.480
  107   1HG2  VAL  16          1HG2      VAL  16  -5.181   4.189  -0.702
  108   2HG2  VAL  16          2HG2      VAL  16  -6.837   4.703  -0.360
  109   3HG2  VAL  16          3HG2      VAL  16  -6.139   3.323   0.505
  110    H    ASN  17           H        ASN  17  -3.974   4.557   4.086
  111    HA   ASN  17           HA       ASN  17  -4.474   7.092   5.480
  112   1HB   ASN  17          2HB       ASN  17  -4.239   5.100   6.908
  113   2HB   ASN  17          1HB       ASN  17  -2.652   4.784   6.210
  114   1HD2  ASN  17          1HD2      ASN  17  -1.581   4.943   8.151
  115   2HD2  ASN  17          2HD2      ASN  17  -1.369   6.442   8.985
  116    H    TRP  18           H        TRP  18  -3.404   6.770   2.804
  117    HA   TRP  18           HA       TRP  18  -1.465   7.040   1.543
  118   1HB   TRP  18          2HB       TRP  18  -2.432   9.626   2.725
  119   2HB   TRP  18          1HB       TRP  18  -1.188   9.585   1.470
  120    HD1  TRP  18           HD       TRP  18  -4.836   9.776   1.773
  121    HE1  TRP  18          1HE       TRP  18  -5.992   9.097  -0.417
  122    HE3  TRP  18          3HE       TRP  18  -0.870   7.621  -0.582
  123    HZ2  TRP  18          2HZ       TRP  18  -5.306   7.804  -2.828
  124    HZ3  TRP  18          3HZ       TRP  18  -1.198   6.674  -2.828
  125    HH2  TRP  18           HH       TRP  18  -3.378   6.754  -3.915
  126    H    GLY  19           H        GLY  19  -0.780   9.142   4.388
  127   1HA   GLY  19          2HA       GLY  19   1.947   9.193   4.117
  128   2HA   GLY  19          1HA       GLY  19   1.144   9.196   5.686
  129    H    GLU  20           H        GLU  20  -0.037   6.538   5.244
  130    HA   GLU  20           HA       GLU  20   2.170   4.948   6.182
  131   1HB   GLU  20          2HB       GLU  20  -0.671   4.778   6.282
  132   2HB   GLU  20          1HB       GLU  20  -0.089   3.314   5.497
  133   1HG   GLU  20          2HG       GLU  20   1.128   4.273   8.054
  134   2HG   GLU  20          1HG       GLU  20  -0.364   3.334   8.049
  135    H    ALA  21           H        ALA  21   0.149   5.088   3.286
  136    HA   ALA  21           HA       ALA  21   1.430   2.951   1.903
  137   1HB   ALA  21          1HB       ALA  21   0.121   3.604   0.060
  138   2HB   ALA  21          2HB       ALA  21   0.009   5.269   0.636
  139   3HB   ALA  21          3HB       ALA  21  -0.866   3.986   1.472
  140    H    PHE  22           H        PHE  22   1.885   6.406   2.156
  141    HA   PHE  22           HA       PHE  22   3.668   6.842   0.041
  142   1HB   PHE  22          2HB       PHE  22   2.553   8.597   1.479
  143   2HB   PHE  22          1HB       PHE  22   3.686   8.184   2.759
  144    HD1  PHE  22          1HD       PHE  22   3.126  10.123  -0.188
  145    HD2  PHE  22          2HD       PHE  22   6.155   8.489   2.312
  146    HE1  PHE  22          1HE       PHE  22   4.747  11.725  -1.116
  147    HE2  PHE  22          2HE       PHE  22   7.785  10.089   1.389
  148    HZ   PHE  22           HZ       PHE  22   7.081  11.710  -0.326
  149    H    SER  23           H        SER  23   4.039   5.707   3.315
  150    HA   SER  23           HA       SER  23   6.890   5.624   3.360
  151   1HB   SER  23          2HB       SER  23   5.768   5.622   5.471
  152   2HB   SER  23          1HB       SER  23   4.771   4.240   5.016
  153    HG   SER  23           HG       SER  23   7.074   4.195   6.269
  154    H    ALA  24           H        ALA  24   4.365   3.488   2.283
  155    HA   ALA  24           HA       ALA  24   6.011   1.161   2.000
  156   1HB   ALA  24          1HB       ALA  24   3.486   1.546   0.457
  157   2HB   ALA  24          2HB       ALA  24   3.410   1.391   2.213
  158   3HB   ALA  24          3HB       ALA  24   4.112   0.095   1.242
  159    H    GLY  25           H        GLY  25   4.657   3.551  -0.256
  160   1HA   GLY  25          2HA       GLY  25   5.861   2.450  -2.572
  161   2HA   GLY  25          1HA       GLY  25   5.216   4.075  -2.426
  162    H    VAL  26           H        VAL  26   6.963   4.853  -0.226
  163    HA   VAL  26           HA       VAL  26   9.170   5.787  -1.746
  164    HB   VAL  26           HB       VAL  26   8.757   5.765   1.253
  165   1HG1  VAL  26          1HG1      VAL  26  10.528   7.619   1.118
  166   2HG1  VAL  26          2HG1      VAL  26  10.933   6.927  -0.453
  167   3HG1  VAL  26          3HG1      VAL  26  11.076   5.946   1.007
  168   1HG2  VAL  26          1HG2      VAL  26   7.311   7.150  -0.484
  169   2HG2  VAL  26          2HG2      VAL  26   8.702   8.231  -0.397
  170   3HG2  VAL  26          3HG2      VAL  26   7.807   7.825   1.067
  171    H    HIS  27           H        HIS  27   8.782   3.161   0.596
  172    HA   HIS  27           HA       HIS  27  11.513   2.468   0.765
  173   1HB   HIS  27          2HB       HIS  27   9.061   0.713   1.084
  174   2HB   HIS  27          1HB       HIS  27  10.692   0.273   1.572
  175    HD1  HIS  27          1HD       HIS  27  10.309   3.711   2.350
  176    HD2  HIS  27          2HD       HIS  27   9.077   0.160   4.114
  177    HE1  HIS  27          1HE       HIS  27   9.788   4.286   4.728
  178    HE2  HIS  27          2HE       HIS  27   9.155   2.107   5.813
  179    H    ARG  28           H        ARG  28   8.871   1.084  -1.169
  180    HA   ARG  28           HA       ARG  28  10.469  -0.651  -2.705
  181   1HB   ARG  28          2HB       ARG  28   8.115  -1.029  -2.596
  182   2HB   ARG  28          1HB       ARG  28   7.758   0.596  -3.158
  183   1HG   ARG  28          2HG       ARG  28   7.307  -0.830  -4.964
  184   2HG   ARG  28          1HG       ARG  28   8.847  -0.058  -5.342
  185   1HD   ARG  28          2HD       ARG  28   8.895  -2.649  -3.886
  186   2HD   ARG  28          1HD       ARG  28   8.489  -2.671  -5.601
  187    HE   ARG  28           HE       ARG  28  11.058  -2.078  -4.420
  188   1HH1  ARG  28          1HH1      ARG  28   9.051  -1.839  -7.267
  189   2HH1  ARG  28          2HH1      ARG  28  10.391  -1.653  -8.347
  190   1HH2  ARG  28          1HH2      ARG  28  12.819  -1.832  -5.840
  191   2HH2  ARG  28          2HH2      ARG  28  12.530  -1.649  -7.538
  192    H    LEU  29           H        LEU  29   9.524   2.709  -3.117
  193    HA   LEU  29           HA       LEU  29  10.496   3.000  -5.778
  194   1HB   LEU  29          2HB       LEU  29   8.800   4.480  -4.955
  195   2HB   LEU  29          1HB       LEU  29   9.810   4.974  -3.613
  196    HG   LEU  29           HG       LEU  29   9.549   6.626  -5.500
  197   1HD1  LEU  29          1HD1      LEU  29  11.510   6.344  -3.755
  198   2HD1  LEU  29          2HD1      LEU  29  11.548   7.574  -5.020
  199   3HD1  LEU  29          3HD1      LEU  29  12.440   6.065  -5.228
  200   1HD2  LEU  29          1HD2      LEU  29  10.636   6.334  -7.539
  201   2HD2  LEU  29          2HD2      LEU  29   9.868   4.773  -7.246
  202   3HD2  LEU  29          3HD2      LEU  29  11.593   4.980  -6.939
  203    H    ALA  30           H        ALA  30  11.625   4.346  -2.744
  204    HA   ALA  30           HA       ALA  30  14.097   5.268  -3.691
  205   1HB   ALA  30          1HB       ALA  30  13.706   4.647  -0.814
  206   2HB   ALA  30          2HB       ALA  30  12.654   5.839  -1.578
  207   3HB   ALA  30          3HB       ALA  30  14.405   6.076  -1.579
  208    H    ASN  31           H        ASN  31  13.177   2.097  -2.553
  209    HA   ASN  31           HA       ASN  31  15.890   1.349  -1.907
  210   1HB   ASN  31          2HB       ASN  31  13.818   0.337  -0.824
  211   2HB   ASN  31          1HB       ASN  31  13.585  -0.558  -2.325
  212   1HD2  ASN  31          1HD2      ASN  31  15.356  -1.959  -3.009
  213   2HD2  ASN  31          2HD2      ASN  31  16.323  -2.727  -1.801
  214    H    GLY  32           H        GLY  32  16.594   2.165  -4.090
  215   1HA   GLY  32          2HA       GLY  32  15.967   0.846  -6.477
  216   2HA   GLY  32          1HA       GLY  32  17.466   1.708  -6.162
  217    H    GLY  33           H        GLY  33  18.456   0.139  -4.059
  218   1HA   GLY  33          2HA       GLY  33  18.986  -2.186  -3.610
  219   2HA   GLY  33          1HA       GLY  33  18.773  -2.510  -5.325
  220    H    ASN  34           H        ASN  34  21.018  -2.186  -2.964
  221    HA   ASN  34           HA       ASN  34  23.159  -1.921  -4.900
  222   1HB   ASN  34          2HB       ASN  34  22.597   0.410  -4.001
  223   2HB   ASN  34          1HB       ASN  34  23.228  -0.155  -2.457
  224   1HD2  ASN  34          1HD2      ASN  34  23.977   1.310  -5.346
  225   2HD2  ASN  34          2HD2      ASN  34  25.697   1.148  -5.292
  226    H    GLY  35           H        GLY  35  22.320  -2.221  -1.462
  227   1HA   GLY  35          2HA       GLY  35  22.907  -3.969  -0.032
  228   2HA   GLY  35          1HA       GLY  35  23.988  -4.590  -1.270
  229    H    PHE  36           H        PHE  36  24.256  -3.953   1.685
  230    HA   PHE  36           HA       PHE  36  26.948  -2.982   1.540
  231   1HB   PHE  36          2HB       PHE  36  25.291  -0.925   1.607
  232   2HB   PHE  36          1HB       PHE  36  25.214  -1.315   3.322
  233    HD1  PHE  36          1HD       PHE  36  27.173  -1.064   4.741
  234    HD2  PHE  36          2HD       PHE  36  27.290  -0.036   0.613
  235    HE1  PHE  36          1HE       PHE  36  29.267   0.171   5.113
  236    HE2  PHE  36          2HE       PHE  36  29.385   1.201   0.978
  237    HZ   PHE  36           HZ       PHE  36  30.376   1.305   3.229
  238    H    TRP  37           H        TRP  37  25.627  -5.354   2.426
  239    HA   TRP  37           HA       TRP  37  25.491  -5.354   5.291
  240   1HB   TRP  37          2HB       TRP  37  25.460  -7.534   3.207
  241   2HB   TRP  37          1HB       TRP  37  25.451  -7.892   4.931
  242    HD1  TRP  37           HD       TRP  37  23.338  -6.287   6.226
  243    HE1  TRP  37          1HE       TRP  37  20.873  -6.255   5.487
  244    HE3  TRP  37          3HE       TRP  37  23.909  -7.932   1.419
  245    HZ2  TRP  37          2HZ       TRP  37  19.369  -6.849   3.173
  246    HZ3  TRP  37          3HZ       TRP  37  21.906  -8.174   0.009
  247    HH2  TRP  37           HH       TRP  37  19.684  -7.644   0.870
  Start of MODEL    6
    1    HA   LYS   1           HA       LYS   1  -7.388  -6.148   6.992
    2   1HB   LYS   1          2HB       LYS   1  -8.011  -7.141   4.840
    3   2HB   LYS   1          1HB       LYS   1  -9.393  -7.097   5.928
    4   1HG   LYS   1          2HG       LYS   1 -10.243  -5.123   4.766
    5   2HG   LYS   1          1HG       LYS   1  -8.851  -5.166   3.682
    6   1HD   LYS   1          2HD       LYS   1 -10.786  -6.182   2.615
    7   2HD   LYS   1          1HD       LYS   1  -9.530  -7.386   2.899
    8   1HE   LYS   1          2HE       LYS   1 -10.711  -8.370   4.662
    9   2HE   LYS   1          1HE       LYS   1 -11.763  -6.970   4.859
   10   1HZ   LYS   1          1HZ       LYS   1 -12.089  -9.247   3.178
   11   2HZ   LYS   1          2HZ       LYS   1 -12.185  -7.815   2.285
   12   3HZ   LYS   1          3HZ       LYS   1 -13.216  -8.059   3.602
   13    H    TYR   2           H        TYR   2  -5.442  -5.213   6.633
   14    HA   TYR   2           HA       TYR   2  -5.199  -3.026   4.758
   15   1HB   TYR   2          2HB       TYR   2  -3.842  -3.779   7.041
   16   2HB   TYR   2          1HB       TYR   2  -2.697  -4.068   5.737
   17    HD1  TYR   2          1HD       TYR   2  -4.859  -1.584   7.284
   18    HD2  TYR   2          2HD       TYR   2  -1.664  -2.291   4.623
   19    HE1  TYR   2          1HE       TYR   2  -4.370   0.835   7.256
   20    HE2  TYR   2          2HE       TYR   2  -1.168   0.092   4.538
   21    HH   TYR   2           HH       TYR   2  -2.647   2.355   6.723
   22    H    TYR   3           H        TYR   3  -4.110  -3.118   2.791
   23    HA   TYR   3           HA       TYR   3  -3.544  -5.836   1.802
   24   1HB   TYR   3          2HB       TYR   3  -4.505  -3.326   0.480
   25   2HB   TYR   3          1HB       TYR   3  -3.650  -4.531  -0.477
   26    HD1  TYR   3          1HD       TYR   3  -4.592  -6.859  -0.628
   27    HD2  TYR   3          2HD       TYR   3  -6.769  -3.646   1.107
   28    HE1  TYR   3          1HE       TYR   3  -6.675  -8.140  -0.881
   29    HE2  TYR   3          2HE       TYR   3  -8.858  -4.908   0.850
   30    HH   TYR   3           HH       TYR   3  -9.383  -7.229  -1.074
   31    H    GLY   4           H        GLY   4  -1.570  -4.647   3.371
   32   1HA   GLY   4          2HA       GLY   4   0.627  -3.920   3.375
   33   2HA   GLY   4          1HA       GLY   4   0.757  -5.077   2.056
   34    H    ASN   5           H        ASN   5  -1.235  -2.243   1.694
   35    HA   ASN   5           HA       ASN   5   0.864  -0.780   0.289
   36   1HB   ASN   5          2HB       ASN   5  -1.035  -2.397  -1.078
   37   2HB   ASN   5          1HB       ASN   5  -1.484  -0.718  -1.363
   38   1HD2  ASN   5          1HD2      ASN   5  -0.301   0.485  -2.727
   39   2HD2  ASN   5          2HD2      ASN   5   1.112  -0.073  -3.552
   40    H    GLY   6           H        GLY   6  -0.744  -0.384   2.735
   41   1HA   GLY   6          2HA       GLY   6  -1.596   1.534   3.754
   42   2HA   GLY   6          1HA       GLY   6  -1.539   2.327   2.197
   43    H    VAL   7           H        VAL   7  -3.098  -0.246   1.299
   44    HA   VAL   7           HA       VAL   7  -5.707   1.005   1.587
   45    HB   VAL   7           HB       VAL   7  -4.705  -1.223  -0.172
   46   1HG1  VAL   7          1HG1      VAL   7  -6.811  -2.036   0.110
   47   2HG1  VAL   7          2HG1      VAL   7  -7.159  -0.819  -1.121
   48   3HG1  VAL   7          3HG1      VAL   7  -7.457  -0.464   0.581
   49   1HG2  VAL   7          1HG2      VAL   7  -4.947   0.264  -1.933
   50   2HG2  VAL   7          2HG2      VAL   7  -4.383   1.319  -0.637
   51   3HG2  VAL   7          3HG2      VAL   7  -6.097   1.269  -1.050
   52    H    HIS   8           H        HIS   8  -7.294   0.348   2.822
   53    HA   HIS   8           HA       HIS   8  -7.362  -2.415   3.743
   54   1HB   HIS   8          2HB       HIS   8  -8.247  -1.158   5.990
   55   2HB   HIS   8          1HB       HIS   8  -6.606  -1.759   5.772
   56    HD1  HIS   8          1HD       HIS   8  -8.096   1.044   7.085
   57    HD2  HIS   8          2HD       HIS   8  -5.175   0.522   4.187
   58    HE1  HIS   8          1HE       HIS   8  -6.856   3.221   6.994
   59    HE2  HIS   8          2HE       HIS   8  -4.927   2.774   5.444
   60    H    CYS   9           H        CYS   9  -9.333  -3.261   3.525
   61    HA   CYS   9           HA       CYS   9 -11.544  -1.387   3.135
   62   1HB   CYS   9          2HB       CYS   9 -10.735  -3.375   1.468
   63   2HB   CYS   9          1HB       CYS   9 -12.002  -4.189   2.385
   64    H    THR  10           H        THR  10 -12.042  -1.065   5.249
   65    HA   THR  10           HA       THR  10 -12.774  -3.379   6.880
   66    HB   THR  10           HB       THR  10 -11.425  -1.970   8.145
   67    HG1  THR  10          1HG       THR  10 -12.831  -0.949   9.651
   68   1HG2  THR  10          1HG2      THR  10 -12.235   0.570   8.306
   69   2HG2  THR  10          2HG2      THR  10 -12.675   0.222   6.634
   70   3HG2  THR  10          3HG2      THR  10 -11.009   0.010   7.169
   71    H    LYS  11           H        LYS  11 -14.623  -2.296   8.553
   72    HA   LYS  11           HA       LYS  11 -17.007  -2.794   7.238
   73   1HB   LYS  11          2HB       LYS  11 -18.087  -2.134   9.262
   74   2HB   LYS  11          1HB       LYS  11 -16.567  -2.911   9.689
   75   1HG   LYS  11          2HG       LYS  11 -15.610  -0.531   9.783
   76   2HG   LYS  11          1HG       LYS  11 -17.296  -0.012   9.832
   77   1HD   LYS  11          2HD       LYS  11 -17.512  -1.744  11.752
   78   2HD   LYS  11          1HD       LYS  11 -15.752  -1.626  11.827
   79   1HE   LYS  11          2HE       LYS  11 -15.889   0.279  12.959
   80   2HE   LYS  11          1HE       LYS  11 -16.875   1.003  11.690
   81   1HZ   LYS  11          1HZ       LYS  11 -17.766   0.665  14.136
   82   2HZ   LYS  11          2HZ       LYS  11 -18.195  -0.851  13.519
   83   3HZ   LYS  11          3HZ       LYS  11 -18.788   0.557  12.792
   84    H    SER  12           H        SER  12 -15.162   0.108   7.357
   85    HA   SER  12           HA       SER  12 -17.418   1.741   6.479
   86   1HB   SER  12          2HB       SER  12 -15.900   3.638   6.693
   87   2HB   SER  12          1HB       SER  12 -15.838   2.665   8.162
   88    HG   SER  12           HG       SER  12 -13.787   3.406   6.943
   89    H    GLY  13           H        GLY  13 -15.901  -0.472   4.940
   90   1HA   GLY  13          2HA       GLY  13 -15.824  -0.753   2.612
   91   2HA   GLY  13          1HA       GLY  13 -15.815   0.995   2.423
   92    H    CYS  14           H        CYS  14 -14.065   0.758   0.920
   93    HA   CYS  14           HA       CYS  14 -11.530  -0.164   2.012
   94   1HB   CYS  14          2HB       CYS  14 -12.398   0.676  -0.729
   95   2HB   CYS  14          1HB       CYS  14 -10.703   0.495  -0.311
   96    H    SER  15           H        SER  15  -9.972   1.124   2.745
   97    HA   SER  15           HA       SER  15  -9.958   3.935   2.001
   98   1HB   SER  15          2HB       SER  15  -9.795   3.528   4.929
   99   2HB   SER  15          1HB       SER  15 -10.526   4.842   4.009
  100    HG   SER  15           HG       SER  15 -12.293   3.857   4.655
  101    H    VAL  16           H        VAL  16  -7.957   4.194   1.357
  102    HA   VAL  16           HA       VAL  16  -5.767   2.828   2.700
  103    HB   VAL  16           HB       VAL  16  -5.686   2.580   0.361
  104   1HG1  VAL  16          1HG1      VAL  16  -7.175   4.042  -0.480
  105   2HG1  VAL  16          2HG1      VAL  16  -5.641   4.643  -1.113
  106   3HG1  VAL  16          3HG1      VAL  16  -6.396   5.426   0.279
  107   1HG2  VAL  16          1HG2      VAL  16  -3.477   3.078   1.217
  108   2HG2  VAL  16          2HG2      VAL  16  -3.786   4.794   1.045
  109   3HG2  VAL  16          3HG2      VAL  16  -3.666   3.773  -0.391
  110    H    ASN  17           H        ASN  17  -4.791   3.876   4.298
  111    HA   ASN  17           HA       ASN  17  -5.147   6.513   5.037
  112   1HB   ASN  17          2HB       ASN  17  -4.198   4.854   6.553
  113   2HB   ASN  17          1HB       ASN  17  -2.758   4.736   5.547
  114   1HD2  ASN  17          1HD2      ASN  17  -3.849   5.941   8.328
  115   2HD2  ASN  17          2HD2      ASN  17  -2.822   7.319   8.504
  116    H    TRP  18           H        TRP  18  -3.087   5.150   2.640
  117    HA   TRP  18           HA       TRP  18  -1.807   6.044   1.018
  118   1HB   TRP  18          2HB       TRP  18  -3.271   8.501   1.921
  119   2HB   TRP  18          1HB       TRP  18  -1.956   8.632   0.745
  120    HD1  TRP  18           HD       TRP  18  -5.578   7.805   0.950
  121    HE1  TRP  18          1HE       TRP  18  -6.399   6.820  -1.265
  122    HE3  TRP  18          3HE       TRP  18  -1.070   7.007  -1.287
  123    HZ2  TRP  18          2HZ       TRP  18  -5.293   5.783  -3.617
  124    HZ3  TRP  18          3HZ       TRP  18  -1.041   5.988  -3.525
  125    HH2  TRP  18           HH       TRP  18  -3.114   5.386  -4.650
  126    H    GLY  19           H        GLY  19  -1.551   8.250   3.850
  127   1HA   GLY  19          2HA       GLY  19   1.179   8.777   3.566
  128   2HA   GLY  19          1HA       GLY  19   0.326   8.741   5.112
  129    H    GLU  20           H        GLU  20  -0.527   5.954   4.617
  130    HA   GLU  20           HA       GLU  20   1.700   4.603   5.805
  131   1HB   GLU  20          2HB       GLU  20  -1.107   4.196   5.571
  132   2HB   GLU  20          1HB       GLU  20  -0.320   2.778   4.883
  133   1HG   GLU  20          2HG       GLU  20   0.655   3.777   7.499
  134   2HG   GLU  20          1HG       GLU  20  -0.907   2.961   7.449
  135    H    ALA  21           H        ALA  21   0.019   4.547   2.687
  136    HA   ALA  21           HA       ALA  21   1.676   2.532   1.515
  137   1HB   ALA  21          1HB       ALA  21  -0.045   4.634   0.220
  138   2HB   ALA  21          2HB       ALA  21  -0.571   3.016   0.682
  139   3HB   ALA  21          3HB       ALA  21   0.637   3.222  -0.585
  140    H    PHE  22           H        PHE  22   1.690   6.024   1.692
  141    HA   PHE  22           HA       PHE  22   3.667   6.599  -0.219
  142   1HB   PHE  22          2HB       PHE  22   2.215   8.287   0.914
  143   2HB   PHE  22          1HB       PHE  22   3.111   8.010   2.404
  144    HD1  PHE  22          1HD       PHE  22   2.905   9.918  -0.573
  145    HD2  PHE  22          2HD       PHE  22   5.649   8.433   2.318
  146    HE1  PHE  22          1HE       PHE  22   4.535  11.634  -1.244
  147    HE2  PHE  22          2HE       PHE  22   7.284  10.147   1.654
  148    HZ   PHE  22           HZ       PHE  22   6.728  11.751  -0.129
  149    H    SER  23           H        SER  23   3.726   5.585   3.113
  150    HA   SER  23           HA       SER  23   6.535   5.866   3.529
  151   1HB   SER  23          2HB       SER  23   4.239   4.779   5.003
  152   2HB   SER  23          1HB       SER  23   5.731   3.879   5.274
  153    HG   SER  23           HG       SER  23   5.599   6.700   5.458
  154    H    ALA  24           H        ALA  24   4.444   3.426   2.203
  155    HA   ALA  24           HA       ALA  24   6.384   1.314   2.165
  156   1HB   ALA  24          1HB       ALA  24   4.039   1.360   0.326
  157   2HB   ALA  24          2HB       ALA  24   3.759   1.238   2.063
  158   3HB   ALA  24          3HB       ALA  24   4.728   0.015   1.238
  159    H    GLY  25           H        GLY  25   5.009   3.498  -0.275
  160   1HA   GLY  25          2HA       GLY  25   6.543   2.574  -2.447
  161   2HA   GLY  25          1HA       GLY  25   5.766   4.148  -2.338
  162    H    VAL  26           H        VAL  26   7.196   4.989   0.037
  163    HA   VAL  26           HA       VAL  26   9.492   6.110  -1.211
  164    HB   VAL  26           HB       VAL  26   8.714   6.035   1.719
  165   1HG1  VAL  26          1HG1      VAL  26  10.993   6.455   1.814
  166   2HG1  VAL  26          2HG1      VAL  26  10.312   8.080   1.733
  167   3HG1  VAL  26          3HG1      VAL  26  10.995   7.337   0.286
  168   1HG2  VAL  26          1HG2      VAL  26   8.644   8.547   0.188
  169   2HG2  VAL  26          2HG2      VAL  26   7.528   7.919   1.399
  170   3HG2  VAL  26          3HG2      VAL  26   7.437   7.343  -0.265
  171    H    HIS  27           H        HIS  27   9.024   3.436   1.069
  172    HA   HIS  27           HA       HIS  27  11.761   2.999   1.596
  173   1HB   HIS  27          2HB       HIS  27   9.527   0.953   1.578
  174   2HB   HIS  27          1HB       HIS  27  11.084   0.789   2.378
  175    HD1  HIS  27          1HD       HIS  27  10.645   4.012   3.207
  176    HD2  HIS  27          2HD       HIS  27   8.466   0.636   4.257
  177    HE1  HIS  27          1HE       HIS  27   9.459   4.612   5.326
  178    HE2  HIS  27          2HE       HIS  27   8.141   2.562   5.955
  179    H    ARG  28           H        ARG  28   9.556   1.468  -0.741
  180    HA   ARG  28           HA       ARG  28  11.562  -0.087  -2.001
  181   1HB   ARG  28          2HB       ARG  28   8.854   0.829  -2.989
  182   2HB   ARG  28          1HB       ARG  28   9.862  -0.355  -3.811
  183   1HG   ARG  28          2HG       ARG  28   9.769  -1.528  -1.437
  184   2HG   ARG  28          1HG       ARG  28   8.265  -0.611  -1.328
  185   1HD   ARG  28          2HD       ARG  28   8.968  -2.400  -3.649
  186   2HD   ARG  28          1HD       ARG  28   8.043  -2.940  -2.248
  187    HE   ARG  28           HE       ARG  28   6.965  -0.599  -3.529
  188   1HH1  ARG  28          1HH1      ARG  28   7.012  -4.089  -3.502
  189   2HH1  ARG  28          2HH1      ARG  28   5.467  -4.240  -4.270
  190   1HH2  ARG  28          1HH2      ARG  28   4.932  -0.798  -4.539
  191   2HH2  ARG  28          2HH2      ARG  28   4.286  -2.374  -4.859
  192    H    LEU  29           H        LEU  29  10.224   3.118  -2.629
  193    HA   LEU  29           HA       LEU  29  11.564   3.499  -5.111
  194   1HB   LEU  29          2HB       LEU  29   9.558   4.717  -4.684
  195   2HB   LEU  29          1HB       LEU  29  10.224   5.405  -3.215
  196    HG   LEU  29           HG       LEU  29  11.742   6.787  -4.462
  197   1HD1  LEU  29          1HD1      LEU  29  10.656   5.589  -7.000
  198   2HD1  LEU  29          2HD1      LEU  29  12.165   5.072  -6.247
  199   3HD1  LEU  29          3HD1      LEU  29  11.990   6.731  -6.823
  200   1HD2  LEU  29          1HD2      LEU  29  10.222   8.279  -5.435
  201   2HD2  LEU  29          2HD2      LEU  29   9.284   7.410  -4.221
  202   3HD2  LEU  29          3HD2      LEU  29   9.130   6.984  -5.926
  203    H    ALA  30           H        ALA  30  12.127   4.714  -1.859
  204    HA   ALA  30           HA       ALA  30  14.443   6.199  -2.494
  205   1HB   ALA  30          1HB       ALA  30  14.634   6.573  -0.141
  206   2HB   ALA  30          2HB       ALA  30  13.597   5.189   0.210
  207   3HB   ALA  30          3HB       ALA  30  12.924   6.617  -0.577
  208    H    ASN  31           H        ASN  31  13.995   2.852  -1.490
  209    HA   ASN  31           HA       ASN  31  16.792   2.522  -0.857
  210   1HB   ASN  31          2HB       ASN  31  14.665   1.186   0.030
  211   2HB   ASN  31          1HB       ASN  31  15.054   0.145  -1.339
  212   1HD2  ASN  31          1HD2      ASN  31  16.606   1.772   1.403
  213   2HD2  ASN  31          2HD2      ASN  31  17.689   0.479   1.780
  214    H    GLY  32           H        GLY  32  17.062   3.538  -3.174
  215   1HA   GLY  32          2HA       GLY  32  17.097   1.440  -5.227
  216   2HA   GLY  32          1HA       GLY  32  17.296   3.162  -5.508
  217    H    GLY  33           H        GLY  33  18.889   0.400  -3.942
  218   1HA   GLY  33          2HA       GLY  33  21.319   0.658  -5.255
  219   2HA   GLY  33          1HA       GLY  33  21.443   1.630  -3.796
  220    H    ASN  34           H        ASN  34  19.819  -0.015  -2.136
  221    HA   ASN  34           HA       ASN  34  21.757  -2.097  -1.546
  222   1HB   ASN  34          2HB       ASN  34  19.448  -0.873  -0.065
  223   2HB   ASN  34          1HB       ASN  34  20.108  -2.419   0.458
  224   1HD2  ASN  34          1HD2      ASN  34  20.783   0.972  -0.011
  225   2HD2  ASN  34          2HD2      ASN  34  22.168   1.039   1.019
  226    H    GLY  35           H        GLY  35  18.255  -1.836  -2.107
  227   1HA   GLY  35          2HA       GLY  35  17.983  -4.719  -2.292
  228   2HA   GLY  35          1HA       GLY  35  16.699  -3.532  -2.472
  229    H    PHE  36           H        PHE  36  15.882  -4.542  -4.327
  230    HA   PHE  36           HA       PHE  36  17.541  -4.997  -6.624
  231   1HB   PHE  36          2HB       PHE  36  15.471  -5.619  -7.748
  232   2HB   PHE  36          1HB       PHE  36  15.565  -6.385  -6.165
  233    HD1  PHE  36          1HD       PHE  36  14.063  -3.566  -8.009
  234    HD2  PHE  36          2HD       PHE  36  13.898  -6.052  -4.568
  235    HE1  PHE  36          1HE       PHE  36  11.862  -2.613  -7.436
  236    HE2  PHE  36          2HE       PHE  36  11.698  -5.110  -3.980
  237    HZ   PHE  36           HZ       PHE  36  10.677  -3.386  -5.417
  238    H    TRP  37           H        TRP  37  17.884  -3.723  -8.349
  239    HA   TRP  37           HA       TRP  37  17.197  -0.943  -8.162
  240   1HB   TRP  37          2HB       TRP  37  18.367  -0.860 -10.437
  241   2HB   TRP  37          1HB       TRP  37  19.338  -1.378  -9.061
  242    HD1  TRP  37           HD       TRP  37  16.980  -3.478 -11.323
  243    HE1  TRP  37          1HE       TRP  37  18.333  -5.464 -12.242
  244    HE3  TRP  37          3HE       TRP  37  21.551  -2.335  -9.338
  245    HZ2  TRP  37          2HZ       TRP  37  20.987  -6.420 -12.141
  246    HZ3  TRP  37          3HZ       TRP  37  23.445  -3.837  -9.798
  247    HH2  TRP  37           HH       TRP  37  23.167  -5.837 -11.170
  Start of MODEL    7
    1    HA   LYS   1           HA       LYS   1  -6.944  -5.464   7.484
    2   1HB   LYS   1          2HB       LYS   1  -7.739  -6.664   5.484
    3   2HB   LYS   1          1HB       LYS   1  -9.040  -6.393   6.636
    4   1HG   LYS   1          2HG       LYS   1  -9.736  -4.430   5.267
    5   2HG   LYS   1          1HG       LYS   1  -8.536  -4.914   4.066
    6   1HD   LYS   1          2HD       LYS   1 -10.502  -5.885   3.282
    7   2HD   LYS   1          1HD       LYS   1  -9.702  -7.207   4.137
    8   1HE   LYS   1          2HE       LYS   1 -11.183  -6.020   6.117
    9   2HE   LYS   1          1HE       LYS   1 -12.230  -5.854   4.708
   10   1HZ   LYS   1          1HZ       LYS   1 -11.740  -8.320   4.354
   11   2HZ   LYS   1          2HZ       LYS   1 -12.797  -7.902   5.606
   12   3HZ   LYS   1          3HZ       LYS   1 -11.197  -8.321   5.956
   13    H    TYR   2           H        TYR   2  -4.919  -4.832   6.904
   14    HA   TYR   2           HA       TYR   2  -4.522  -2.863   4.850
   15   1HB   TYR   2          2HB       TYR   2  -3.070  -3.664   7.030
   16   2HB   TYR   2          1HB       TYR   2  -2.150  -4.326   5.678
   17    HD1  TYR   2          1HD       TYR   2  -3.487  -1.324   7.186
   18    HD2  TYR   2          2HD       TYR   2  -1.029  -2.868   4.129
   19    HE1  TYR   2          1HE       TYR   2  -2.557   0.918   6.826
   20    HE2  TYR   2          2HE       TYR   2  -0.098  -0.651   3.723
   21    HH   TYR   2           HH       TYR   2   0.221   1.437   4.930
   22    H    TYR   3           H        TYR   3  -3.884  -3.230   2.767
   23    HA   TYR   3           HA       TYR   3  -3.881  -6.032   1.899
   24   1HB   TYR   3          2HB       TYR   3  -4.519  -3.425   0.628
   25   2HB   TYR   3          1HB       TYR   3  -3.894  -4.696  -0.423
   26    HD1  TYR   3          1HD       TYR   3  -5.117  -6.882  -0.544
   27    HD2  TYR   3          2HD       TYR   3  -6.743  -3.489   1.440
   28    HE1  TYR   3          1HE       TYR   3  -7.351  -7.901  -0.645
   29    HE2  TYR   3          2HE       TYR   3  -8.983  -4.491   1.335
   30    HH   TYR   3           HH       TYR   3 -10.009  -6.514  -0.506
   31    H    GLY   4           H        GLY   4  -1.854  -3.196   2.001
   32   1HA   GLY   4          2HA       GLY   4   0.578  -3.987   2.201
   33   2HA   GLY   4          1HA       GLY   4   0.277  -4.664   0.601
   34    H    ASN   5           H        ASN   5  -1.480  -2.374  -0.066
   35    HA   ASN   5           HA       ASN   5   0.640  -0.438  -0.720
   36   1HB   ASN   5          2HB       ASN   5  -1.760  -1.455  -2.162
   37   2HB   ASN   5          1HB       ASN   5  -1.345   0.240  -2.397
   38   1HD2  ASN   5          1HD2      ASN   5  -0.690   0.093  -4.475
   39   2HD2  ASN   5          2HD2      ASN   5   0.703  -0.791  -4.986
   40    H    GLY   6           H        GLY   6  -0.274  -0.148   1.798
   41   1HA   GLY   6          2HA       GLY   6  -1.343   1.285   3.233
   42   2HA   GLY   6          1HA       GLY   6  -1.182   2.461   1.953
   43    H    VAL   7           H        VAL   7  -2.994  -0.454   1.472
   44    HA   VAL   7           HA       VAL   7  -5.464   1.160   1.407
   45    HB   VAL   7           HB       VAL   7  -4.700  -1.320  -0.134
   46   1HG1  VAL   7          1HG1      VAL   7  -6.882  -1.843   0.405
   47   2HG1  VAL   7          2HG1      VAL   7  -7.098  -0.917  -1.083
   48   3HG1  VAL   7          3HG1      VAL   7  -7.364  -0.148   0.486
   49   1HG2  VAL   7          1HG2      VAL   7  -4.344   1.281  -0.767
   50   2HG2  VAL   7          2HG2      VAL   7  -5.963   1.005  -1.412
   51   3HG2  VAL   7          3HG2      VAL   7  -4.613   0.007  -1.956
   52    H    HIS   8           H        HIS   8  -6.588   0.904   3.240
   53    HA   HIS   8           HA       HIS   8  -6.797  -1.824   4.291
   54   1HB   HIS   8          2HB       HIS   8  -7.771   0.103   6.187
   55   2HB   HIS   8          1HB       HIS   8  -6.484  -1.078   6.371
   56    HD1  HIS   8          1HD       HIS   8  -6.691   2.042   7.312
   57    HD2  HIS   8          2HD       HIS   8  -4.302   0.369   4.354
   58    HE1  HIS   8          1HE       HIS   8  -4.766   3.619   7.043
   59    HE2  HIS   8          2HE       HIS   8  -3.267   2.531   5.332
   60    H    CYS   9           H        CYS   9  -8.790  -2.647   4.819
   61    HA   CYS   9           HA       CYS   9 -11.070  -1.104   3.817
   62   1HB   CYS   9          2HB       CYS   9 -10.187  -3.508   2.862
   63   2HB   CYS   9          1HB       CYS   9 -11.416  -4.015   4.018
   64    H    THR  10           H        THR  10 -11.180  -0.144   5.874
   65    HA   THR  10           HA       THR  10 -11.887  -1.857   8.119
   66    HB   THR  10           HB       THR  10 -11.363  -0.104   9.513
   67    HG1  THR  10          1HG       THR  10 -12.172   1.615   7.418
   68   1HG2  THR  10          1HG2      THR  10  -9.451   1.128   8.752
   69   2HG2  THR  10          2HG2      THR  10  -9.867   0.813   7.068
   70   3HG2  THR  10          3HG2      THR  10  -9.362  -0.514   8.114
   71    H    LYS  11           H        LYS  11 -13.800  -2.102   8.967
   72    HA   LYS  11           HA       LYS  11 -15.983  -1.791   9.509
   73   1HB   LYS  11          2HB       LYS  11 -15.925   0.617   7.678
   74   2HB   LYS  11          1HB       LYS  11 -17.252   0.160   8.730
   75   1HG   LYS  11          2HG       LYS  11 -14.828   0.319  10.234
   76   2HG   LYS  11          1HG       LYS  11 -15.071   1.801   9.309
   77   1HD   LYS  11          2HD       LYS  11 -16.386   2.412  11.026
   78   2HD   LYS  11          1HD       LYS  11 -17.575   1.336  10.291
   79   1HE   LYS  11          2HE       LYS  11 -17.595   0.280  12.261
   80   2HE   LYS  11          1HE       LYS  11 -16.037  -0.388  11.773
   81   1HZ   LYS  11          1HZ       LYS  11 -16.550   1.953  13.511
   82   2HZ   LYS  11          2HZ       LYS  11 -15.033   1.649  12.828
   83   3HZ   LYS  11          3HZ       LYS  11 -15.718   0.530  13.894
   84    H    SER  12           H        SER  12 -16.341  -0.481   6.277
   85    HA   SER  12           HA       SER  12 -17.083  -3.071   5.199
   86   1HB   SER  12          2HB       SER  12 -19.059  -1.306   6.228
   87   2HB   SER  12          1HB       SER  12 -19.220  -1.342   4.474
   88    HG   SER  12           HG       SER  12 -18.972  -3.703   6.007
   89    H    GLY  13           H        GLY  13 -15.138  -0.804   4.717
   90   1HA   GLY  13          2HA       GLY  13 -15.434  -0.806   1.834
   91   2HA   GLY  13          1HA       GLY  13 -15.563   0.778   2.583
   92    H    CYS  14           H        CYS  14 -13.562  -0.129   0.700
   93    HA   CYS  14           HA       CYS  14 -11.154  -0.301   2.330
   94   1HB   CYS  14          2HB       CYS  14 -11.462  -0.474  -0.657
   95   2HB   CYS  14          1HB       CYS  14  -9.959  -0.673   0.232
   96    H    SER  15           H        SER  15  -9.697   1.216   2.557
   97    HA   SER  15           HA       SER  15  -9.928   3.675   0.987
   98   1HB   SER  15          2HB       SER  15  -9.478   4.064   3.896
   99   2HB   SER  15          1HB       SER  15 -10.361   5.069   2.748
  100    HG   SER  15           HG       SER  15 -11.315   3.249   4.463
  101    H    VAL  16           H        VAL  16  -8.043   5.165   1.489
  102    HA   VAL  16           HA       VAL  16  -5.636   3.576   2.101
  103    HB   VAL  16           HB       VAL  16  -5.802   5.746   0.012
  104   1HG1  VAL  16          1HG1      VAL  16  -3.577   4.128  -0.420
  105   2HG1  VAL  16          2HG1      VAL  16  -3.618   4.393   1.323
  106   3HG1  VAL  16          3HG1      VAL  16  -3.594   5.767   0.223
  107   1HG2  VAL  16          1HG2      VAL  16  -6.058   2.801  -0.161
  108   2HG2  VAL  16          2HG2      VAL  16  -5.225   3.673  -1.456
  109   3HG2  VAL  16          3HG2      VAL  16  -6.904   4.067  -1.065
  110    H    ASN  17           H        ASN  17  -4.567   4.355   3.782
  111    HA   ASN  17           HA       ASN  17  -5.130   6.882   4.946
  112   1HB   ASN  17          2HB       ASN  17  -3.706   4.587   5.702
  113   2HB   ASN  17          1HB       ASN  17  -2.514   5.881   5.680
  114   1HD2  ASN  17          1HD2      ASN  17  -3.280   4.571   8.001
  115   2HD2  ASN  17          2HD2      ASN  17  -4.104   5.690   9.028
  116    H    TRP  18           H        TRP  18  -3.162   5.894   2.361
  117    HA   TRP  18           HA       TRP  18  -1.776   6.952   0.942
  118   1HB   TRP  18          2HB       TRP  18  -3.088   9.327   2.255
  119   2HB   TRP  18          1HB       TRP  18  -1.892   9.508   0.965
  120    HD1  TRP  18           HD       TRP  18  -5.508   9.111   1.413
  121    HE1  TRP  18          1HE       TRP  18  -6.640   8.392  -0.780
  122    HE3  TRP  18          3HE       TRP  18  -1.370   7.754  -1.195
  123    HZ2  TRP  18          2HZ       TRP  18  -5.866   7.370  -3.289
  124    HZ3  TRP  18          3HZ       TRP  18  -1.634   6.909  -3.494
  125    HH2  TRP  18           HH       TRP  18  -3.845   6.705  -4.503
  126    H    GLY  19           H        GLY  19  -1.479   8.830   3.994
  127   1HA   GLY  19          2HA       GLY  19   1.295   9.182   3.707
  128   2HA   GLY  19          1HA       GLY  19   0.422   9.231   5.245
  129    H    GLU  20           H        GLU  20  -0.639   6.509   4.847
  130    HA   GLU  20           HA       GLU  20   1.550   5.036   5.986
  131   1HB   GLU  20          2HB       GLU  20  -1.299   4.300   5.264
  132   2HB   GLU  20          1HB       GLU  20  -0.151   3.115   5.878
  133   1HG   GLU  20          2HG       GLU  20   0.106   5.071   7.728
  134   2HG   GLU  20          1HG       GLU  20  -1.589   5.248   7.284
  135    H    ALA  21           H        ALA  21  -0.229   5.122   2.942
  136    HA   ALA  21           HA       ALA  21   1.139   2.945   1.696
  137   1HB   ALA  21          1HB       ALA  21  -0.073   3.492  -0.190
  138   2HB   ALA  21          2HB       ALA  21  -0.038   5.220   0.168
  139   3HB   ALA  21          3HB       ALA  21  -1.099   4.152   1.085
  140    H    PHE  22           H        PHE  22   1.563   6.419   1.879
  141    HA   PHE  22           HA       PHE  22   3.569   6.754  -0.052
  142   1HB   PHE  22          2HB       PHE  22   2.320   8.599   1.096
  143   2HB   PHE  22          1HB       PHE  22   3.232   8.251   2.562
  144    HD1  PHE  22          1HD       PHE  22   5.744   8.514   2.501
  145    HD2  PHE  22          2HD       PHE  22   3.188   9.990  -0.563
  146    HE1  PHE  22          1HE       PHE  22   7.532  10.022   1.742
  147    HE2  PHE  22          2HE       PHE  22   4.971  11.501  -1.331
  148    HZ   PHE  22           HZ       PHE  22   7.148  11.519  -0.176
  149    H    SER  23           H        SER  23   3.573   5.779   3.298
  150    HA   SER  23           HA       SER  23   6.400   5.755   3.673
  151   1HB   SER  23          2HB       SER  23   4.690   5.717   5.530
  152   2HB   SER  23          1HB       SER  23   4.357   4.037   5.110
  153    HG   SER  23           HG       SER  23   5.870   3.972   6.701
  154    H    ALA  24           H        ALA  24   4.054   3.565   2.342
  155    HA   ALA  24           HA       ALA  24   5.745   1.259   2.235
  156   1HB   ALA  24          1HB       ALA  24   3.447   1.637   0.373
  157   2HB   ALA  24          2HB       ALA  24   3.125   1.489   2.102
  158   3HB   ALA  24          3HB       ALA  24   3.961   0.191   1.244
  159    H    GLY  25           H        GLY  25   4.648   3.682  -0.119
  160   1HA   GLY  25          2HA       GLY  25   6.083   2.686  -2.325
  161   2HA   GLY  25          1HA       GLY  25   5.521   4.341  -2.137
  162    H    VAL  26           H        VAL  26   7.027   4.840   0.296
  163    HA   VAL  26           HA       VAL  26   9.467   5.721  -0.876
  164    HB   VAL  26           HB       VAL  26   8.710   5.571   2.056
  165   1HG1  VAL  26          1HG1      VAL  26  10.442   7.433   2.210
  166   2HG1  VAL  26          2HG1      VAL  26  10.990   6.903   0.620
  167   3HG1  VAL  26          3HG1      VAL  26  11.051   5.792   1.989
  168   1HG2  VAL  26          1HG2      VAL  26   7.580   7.492   1.844
  169   2HG2  VAL  26          2HG2      VAL  26   7.510   7.083   0.131
  170   3HG2  VAL  26          3HG2      VAL  26   8.759   8.177   0.725
  171    H    HIS  27           H        HIS  27   8.608   2.981   1.190
  172    HA   HIS  27           HA       HIS  27  11.234   2.171   1.806
  173   1HB   HIS  27          2HB       HIS  27   8.761   0.450   1.481
  174   2HB   HIS  27          1HB       HIS  27  10.247  -0.030   2.291
  175    HD1  HIS  27          1HD       HIS  27  10.057   3.215   3.380
  176    HD2  HIS  27          2HD       HIS  27   7.740  -0.135   4.191
  177    HE1  HIS  27          1HE       HIS  27   8.919   3.698   5.553
  178    HE2  HIS  27          2HE       HIS  27   7.446   1.703   5.987
  179    H    ARG  28           H        ARG  28   9.083   1.436  -0.891
  180    HA   ARG  28           HA       ARG  28  10.882  -0.372  -2.184
  181   1HB   ARG  28          2HB       ARG  28   8.329   1.001  -2.958
  182   2HB   ARG  28          1HB       ARG  28   9.277   0.158  -4.173
  183   1HG   ARG  28          2HG       ARG  28   8.789  -1.400  -1.746
  184   2HG   ARG  28          1HG       ARG  28   7.331  -0.962  -2.639
  185   1HD   ARG  28          2HD       ARG  28   8.363  -3.150  -3.301
  186   2HD   ARG  28          1HD       ARG  28   8.135  -2.003  -4.621
  187    HE   ARG  28           HE       ARG  28  10.667  -1.513  -3.847
  188   1HH1  ARG  28          1HH1      ARG  28   8.980  -4.461  -4.652
  189   2HH1  ARG  28          2HH1      ARG  28  10.398  -5.257  -5.244
  190   1HH2  ARG  28          1HH2      ARG  28  12.532  -2.559  -4.626
  191   2HH2  ARG  28          2HH2      ARG  28  12.415  -4.178  -5.229
  192    H    LEU  29           H        LEU  29  10.015   3.035  -2.620
  193    HA   LEU  29           HA       LEU  29  11.657   3.454  -4.896
  194   1HB   LEU  29          2HB       LEU  29   9.819   4.898  -4.620
  195   2HB   LEU  29          1HB       LEU  29  10.268   5.284  -2.972
  196    HG   LEU  29           HG       LEU  29  12.147   6.604  -3.737
  197   1HD1  LEU  29          1HD1      LEU  29  12.844   6.800  -5.940
  198   2HD1  LEU  29          2HD1      LEU  29  11.326   6.176  -6.582
  199   3HD1  LEU  29          3HD1      LEU  29  12.466   5.084  -5.798
  200   1HD2  LEU  29          1HD2      LEU  29   9.577   7.230  -5.180
  201   2HD2  LEU  29          2HD2      LEU  29  10.916   8.361  -4.978
  202   3HD2  LEU  29          3HD2      LEU  29  10.048   7.760  -3.565
  203    H    ALA  30           H        ALA  30  12.032   4.217  -1.484
  204    HA   ALA  30           HA       ALA  30  14.579   5.443  -1.752
  205   1HB   ALA  30          1HB       ALA  30  13.621   4.307   0.829
  206   2HB   ALA  30          2HB       ALA  30  12.750   5.653   0.093
  207   3HB   ALA  30          3HB       ALA  30  14.457   5.828   0.507
  208    H    ASN  31           H        ASN  31  13.834   2.270  -2.177
  209    HA   ASN  31           HA       ASN  31  15.988   1.097  -0.670
  210   1HB   ASN  31          2HB       ASN  31  13.749  -0.011  -1.441
  211   2HB   ASN  31          1HB       ASN  31  14.617  -0.293  -2.948
  212   1HD2  ASN  31          1HD2      ASN  31  14.742  -0.831   0.532
  213   2HD2  ASN  31          2HD2      ASN  31  15.664  -2.291   0.456
  214    H    GLY  32           H        GLY  32  15.514   2.394  -3.858
  215   1HA   GLY  32          2HA       GLY  32  18.301   2.470  -4.386
  216   2HA   GLY  32          1HA       GLY  32  17.551   1.158  -5.285
  217    H    GLY  33           H        GLY  33  16.139   1.625  -6.981
  218   1HA   GLY  33          2HA       GLY  33  15.148   4.181  -7.613
  219   2HA   GLY  33          1HA       GLY  33  16.681   3.959  -8.447
  220    H    ASN  34           H        ASN  34  13.492   2.485  -7.973
  221    HA   ASN  34           HA       ASN  34  13.377   1.844 -10.799
  222   1HB   ASN  34          2HB       ASN  34  14.479  -0.135  -9.797
  223   2HB   ASN  34          1HB       ASN  34  13.110  -0.328  -8.706
  224   1HD2  ASN  34          1HD2      ASN  34  13.623   0.174 -12.185
  225   2HD2  ASN  34          2HD2      ASN  34  12.529  -1.062 -12.696
  226    H    GLY  35           H        GLY  35  11.909   3.721  -9.466
  227   1HA   GLY  35          2HA       GLY  35   9.219   2.599  -9.727
  228   2HA   GLY  35          1HA       GLY  35   9.621   3.359  -8.194
  229    H    PHE  36           H        PHE  36  11.056   4.652 -11.056
  230    HA   PHE  36           HA       PHE  36   9.710   7.166 -10.644
  231   1HB   PHE  36          2HB       PHE  36  11.996   6.187 -12.242
  232   2HB   PHE  36          1HB       PHE  36  11.094   7.516 -12.964
  233    HD1  PHE  36          1HD       PHE  36  13.110   6.471 -10.079
  234    HD2  PHE  36          2HD       PHE  36  11.173   9.714 -12.039
  235    HE1  PHE  36          1HE       PHE  36  14.295   8.056  -8.618
  236    HE2  PHE  36          2HE       PHE  36  12.356  11.306 -10.583
  237    HZ   PHE  36           HZ       PHE  36  13.919  10.477  -8.869
  238    H    TRP  37           H        TRP  37   9.004   8.344 -12.771
  239    HA   TRP  37           HA       TRP  37   7.267   8.575 -14.239
  240   1HB   TRP  37          2HB       TRP  37   9.108   7.388 -15.559
  241   2HB   TRP  37          1HB       TRP  37   8.168   5.916 -15.342
  242    HD1  TRP  37           HD       TRP  37   6.868   9.446 -16.288
  243    HE1  TRP  37          1HE       TRP  37   5.586   9.245 -18.511
  244    HE3  TRP  37          3HE       TRP  37   7.716   4.502 -17.272
  245    HZ2  TRP  37          2HZ       TRP  37   5.011   7.255 -20.428
  246    HZ3  TRP  37          3HZ       TRP  37   6.766   3.527 -19.321
  247    HH2  TRP  37           HH       TRP  37   5.442   4.876 -20.866
  Start of MODEL    8
    1    HA   LYS   1           HA       LYS   1  -7.035  -6.145   6.697
    2   1HB   LYS   1          2HB       LYS   1  -8.736  -7.257   5.657
    3   2HB   LYS   1          1HB       LYS   1  -9.392  -5.796   4.938
    4   1HG   LYS   1          2HG       LYS   1  -8.258  -6.070   3.020
    5   2HG   LYS   1          1HG       LYS   1  -6.813  -6.666   3.831
    6   1HD   LYS   1          2HD       LYS   1  -7.470  -8.584   2.774
    7   2HD   LYS   1          1HD       LYS   1  -8.364  -8.761   4.285
    8   1HE   LYS   1          2HE       LYS   1 -10.017  -7.239   2.626
    9   2HE   LYS   1          1HE       LYS   1  -9.345  -8.494   1.586
   10   1HZ   LYS   1          1HZ       LYS   1 -11.491  -8.950   2.934
   11   2HZ   LYS   1          2HZ       LYS   1 -10.425  -9.227   4.219
   12   3HZ   LYS   1          3HZ       LYS   1 -10.310 -10.156   2.810
   13    H    TYR   2           H        TYR   2  -5.031  -5.313   6.352
   14    HA   TYR   2           HA       TYR   2  -4.532  -3.176   4.531
   15   1HB   TYR   2          2HB       TYR   2  -3.260  -4.124   6.717
   16   2HB   TYR   2          1HB       TYR   2  -2.269  -4.821   5.433
   17    HD1  TYR   2          1HD       TYR   2  -0.808  -3.457   4.156
   18    HD2  TYR   2          2HD       TYR   2  -3.640  -1.713   6.761
   19    HE1  TYR   2          1HE       TYR   2   0.293  -1.303   3.879
   20    HE2  TYR   2          2HE       TYR   2  -2.531   0.464   6.518
   21    HH   TYR   2           HH       TYR   2   0.510   0.841   5.359
   22    H    TYR   3           H        TYR   3  -3.773  -3.283   2.494
   23    HA   TYR   3           HA       TYR   3  -3.391  -5.953   1.298
   24   1HB   TYR   3          2HB       TYR   3  -4.440  -3.352   0.268
   25   2HB   TYR   3          1HB       TYR   3  -3.652  -4.441  -0.870
   26    HD1  TYR   3          1HD       TYR   3  -6.610  -3.821   1.138
   27    HD2  TYR   3          2HD       TYR   3  -4.607  -6.701  -1.267
   28    HE1  TYR   3          1HE       TYR   3  -8.695  -5.106   0.956
   29    HE2  TYR   3          2HE       TYR   3  -6.689  -7.998  -1.455
   30    HH   TYR   3           HH       TYR   3  -9.244  -7.420  -1.278
   31    H    GLY   4           H        GLY   4  -1.308  -4.840   2.795
   32   1HA   GLY   4          2HA       GLY   4   0.891  -4.179   2.705
   33   2HA   GLY   4          1HA       GLY   4   0.926  -5.204   1.277
   34    H    ASN   5           H        ASN   5  -1.117  -2.408   1.199
   35    HA   ASN   5           HA       ASN   5   0.914  -0.740  -0.053
   36   1HB   ASN   5          2HB       ASN   5  -1.282  -2.099  -1.518
   37   2HB   ASN   5          1HB       ASN   5  -1.008  -0.405  -1.915
   38   1HD2  ASN   5          1HD2      ASN   5   0.278  -3.615  -1.995
   39   2HD2  ASN   5          2HD2      ASN   5   1.597  -3.283  -3.059
   40    H    GLY   6           H        GLY   6  -0.239  -0.255   2.361
   41   1HA   GLY   6          2HA       GLY   6  -1.506   1.275   3.534
   42   2HA   GLY   6          1HA       GLY   6  -1.223   2.317   2.159
   43    H    VAL   7           H        VAL   7  -2.920  -0.687   1.818
   44    HA   VAL   7           HA       VAL   7  -5.437   0.837   1.475
   45    HB   VAL   7           HB       VAL   7  -4.431  -1.508  -0.123
   46   1HG1  VAL   7          1HG1      VAL   7  -7.183  -0.625   0.498
   47   2HG1  VAL   7          2HG1      VAL   7  -6.576  -2.241   0.132
   48   3HG1  VAL   7          3HG1      VAL   7  -6.846  -1.083  -1.172
   49   1HG2  VAL   7          1HG2      VAL   7  -5.773   0.769  -1.385
   50   2HG2  VAL   7          2HG2      VAL   7  -4.292  -0.070  -1.848
   51   3HG2  VAL   7          3HG2      VAL   7  -4.248   1.161  -0.587
   52    H    HIS   8           H        HIS   8  -6.601   0.473   3.242
   53    HA   HIS   8           HA       HIS   8  -6.757  -2.285   4.197
   54   1HB   HIS   8          2HB       HIS   8  -7.949  -0.328   5.986
   55   2HB   HIS   8          1HB       HIS   8  -6.728  -1.551   6.320
   56    HD1  HIS   8          1HD       HIS   8  -6.801   1.489   7.323
   57    HD2  HIS   8          2HD       HIS   8  -4.425  -0.097   4.307
   58    HE1  HIS   8          1HE       HIS   8  -4.836   3.033   7.143
   59    HE2  HIS   8          2HE       HIS   8  -3.367   2.021   5.363
   60    H    CYS   9           H        CYS   9  -8.788  -3.186   4.684
   61    HA   CYS   9           HA       CYS   9 -10.991  -1.757   3.411
   62   1HB   CYS   9          2HB       CYS   9 -10.013  -4.154   2.631
   63   2HB   CYS   9          1HB       CYS   9 -11.315  -4.653   3.711
   64    H    THR  10           H        THR  10 -10.920  -0.781   5.563
   65    HA   THR  10           HA       THR  10 -12.629  -2.294   7.420
   66    HB   THR  10           HB       THR  10 -10.588  -1.994   8.569
   67    HG1  THR  10          1HG       THR  10 -11.862   0.331   9.460
   68   1HG2  THR  10          1HG2      THR  10  -9.222  -0.111   8.620
   69   2HG2  THR  10          2HG2      THR  10 -10.494   0.945   8.005
   70   3HG2  THR  10          3HG2      THR  10  -9.724  -0.223   6.935
   71    H    LYS  11           H        LYS  11 -13.803  -0.688   8.930
   72    HA   LYS  11           HA       LYS  11 -15.773   0.530   8.830
   73   1HB   LYS  11          2HB       LYS  11 -13.468   1.981   9.295
   74   2HB   LYS  11          1HB       LYS  11 -14.327   2.955   8.111
   75   1HG   LYS  11          2HG       LYS  11 -16.273   3.045   9.529
   76   2HG   LYS  11          1HG       LYS  11 -15.513   1.955  10.690
   77   1HD   LYS  11          2HD       LYS  11 -13.992   4.391  10.001
   78   2HD   LYS  11          1HD       LYS  11 -15.478   4.636  10.919
   79   1HE   LYS  11          2HE       LYS  11 -13.705   2.470  11.858
   80   2HE   LYS  11          1HE       LYS  11 -13.092   4.112  12.049
   81   1HZ   LYS  11          1HZ       LYS  11 -15.827   3.463  12.922
   82   2HZ   LYS  11          2HZ       LYS  11 -14.785   4.673  13.480
   83   3HZ   LYS  11          3HZ       LYS  11 -14.514   3.059  13.910
   84    H    SER  12           H        SER  12 -17.132   0.098   7.216
   85    HA   SER  12           HA       SER  12 -18.449   0.641   5.421
   86   1HB   SER  12          2HB       SER  12 -16.829   2.927   5.576
   87   2HB   SER  12          1HB       SER  12 -16.759   2.399   3.898
   88    HG   SER  12           HG       SER  12 -18.716   3.091   3.657
   89    H    GLY  13           H        GLY  13 -14.964   0.396   4.640
   90   1HA   GLY  13          2HA       GLY  13 -15.150  -2.003   3.284
   91   2HA   GLY  13          1HA       GLY  13 -15.449  -0.765   2.077
   92    H    CYS  14           H        CYS  14 -13.675  -0.742   0.861
   93    HA   CYS  14           HA       CYS  14 -11.040  -0.899   2.089
   94   1HB   CYS  14          2HB       CYS  14 -12.010  -1.072  -0.726
   95   2HB   CYS  14          1HB       CYS  14 -10.315  -0.801  -0.358
   96    H    SER  15           H        SER  15  -9.736   0.670   2.402
   97    HA   SER  15           HA       SER  15 -10.083   3.194   0.968
   98   1HB   SER  15          2HB       SER  15 -10.111   4.533   2.972
   99   2HB   SER  15          1HB       SER  15 -11.390   3.329   3.117
  100    HG   SER  15           HG       SER  15 -10.410   3.045   4.987
  101    H    VAL  16           H        VAL  16  -8.254   4.749   1.721
  102    HA   VAL  16           HA       VAL  16  -5.784   3.215   2.181
  103    HB   VAL  16           HB       VAL  16  -6.064   5.458   0.175
  104   1HG1  VAL  16          1HG1      VAL  16  -3.737   4.042  -0.329
  105   2HG1  VAL  16          2HG1      VAL  16  -3.795   4.168   1.425
  106   3HG1  VAL  16          3HG1      VAL  16  -3.862   5.619   0.435
  107   1HG2  VAL  16          1HG2      VAL  16  -6.164   2.519  -0.103
  108   2HG2  VAL  16          2HG2      VAL  16  -5.321   3.455  -1.347
  109   3HG2  VAL  16          3HG2      VAL  16  -7.024   3.777  -0.996
  110    H    ASN  17           H        ASN  17  -4.687   3.989   3.862
  111    HA   ASN  17           HA       ASN  17  -5.389   6.465   5.101
  112   1HB   ASN  17          2HB       ASN  17  -3.785   4.160   5.762
  113   2HB   ASN  17          1HB       ASN  17  -2.867   5.632   6.075
  114   1HD2  ASN  17          1HD2      ASN  17  -3.045   6.288   8.072
  115   2HD2  ASN  17          2HD2      ASN  17  -4.447   6.163   9.073
  116    H    TRP  18           H        TRP  18  -3.422   5.595   2.524
  117    HA   TRP  18           HA       TRP  18  -1.982   6.665   1.173
  118   1HB   TRP  18          2HB       TRP  18  -3.309   8.999   2.531
  119   2HB   TRP  18          1HB       TRP  18  -2.079   9.222   1.282
  120    HD1  TRP  18           HD       TRP  18  -5.707   8.858   1.605
  121    HE1  TRP  18          1HE       TRP  18  -6.780   8.227  -0.638
  122    HE3  TRP  18          3HE       TRP  18  -1.509   7.503  -0.921
  123    HZ2  TRP  18          2HZ       TRP  18  -5.955   7.265  -3.143
  124    HZ3  TRP  18          3HZ       TRP  18  -1.732   6.723  -3.248
  125    HH2  TRP  18           HH       TRP  18  -3.918   6.592  -4.320
  126    H    GLY  19           H        GLY  19  -1.714   8.467   4.278
  127   1HA   GLY  19          2HA       GLY  19   1.049   8.850   4.045
  128   2HA   GLY  19          1HA       GLY  19   0.171   8.792   5.576
  129    H    GLU  20           H        GLU  20  -0.825   6.071   4.978
  130    HA   GLU  20           HA       GLU  20   1.361   4.577   6.096
  131   1HB   GLU  20          2HB       GLU  20  -1.499   4.093   5.493
  132   2HB   GLU  20          1HB       GLU  20  -0.470   2.678   5.372
  133   1HG   GLU  20          2HG       GLU  20  -0.236   4.388   7.787
  134   2HG   GLU  20          1HG       GLU  20  -1.643   3.337   7.625
  135    H    ALA  21           H        ALA  21  -0.310   4.803   3.005
  136    HA   ALA  21           HA       ALA  21   1.176   2.768   1.666
  137   1HB   ALA  21          1HB       ALA  21   0.068   3.504  -0.278
  138   2HB   ALA  21          2HB       ALA  21  -0.176   5.122   0.386
  139   3HB   ALA  21          3HB       ALA  21  -1.084   3.757   1.032
  140    H    PHE  22           H        PHE  22   1.496   6.222   2.139
  141    HA   PHE  22           HA       PHE  22   3.495   6.797   0.259
  142   1HB   PHE  22          2HB       PHE  22   2.219   8.501   1.570
  143   2HB   PHE  22          1HB       PHE  22   3.108   8.013   3.009
  144    HD1  PHE  22          1HD       PHE  22   3.085  10.104   0.113
  145    HD2  PHE  22          2HD       PHE  22   5.635   8.288   2.995
  146    HE1  PHE  22          1HE       PHE  22   4.866  11.703  -0.459
  147    HE2  PHE  22          2HE       PHE  22   7.421   9.883   2.427
  148    HZ   PHE  22           HZ       PHE  22   7.036  11.593   0.697
  149    H    SER  23           H        SER  23   3.514   5.492   3.486
  150    HA   SER  23           HA       SER  23   6.337   5.501   3.879
  151   1HB   SER  23          2HB       SER  23   4.430   5.176   5.626
  152   2HB   SER  23          1HB       SER  23   4.493   3.481   5.142
  153    HG   SER  23           HG       SER  23   5.942   3.557   6.731
  154    H    ALA  24           H        ALA  24   4.035   3.357   2.390
  155    HA   ALA  24           HA       ALA  24   5.792   1.121   2.073
  156   1HB   ALA  24          1HB       ALA  24   3.426   1.642   0.316
  157   2HB   ALA  24          2HB       ALA  24   3.199   1.215   2.012
  158   3HB   ALA  24          3HB       ALA  24   4.041   0.106   0.929
  159    H    GLY  25           H        GLY  25   4.664   3.737  -0.032
  160   1HA   GLY  25          2HA       GLY  25   6.098   2.935  -2.336
  161   2HA   GLY  25          1HA       GLY  25   5.453   4.542  -2.032
  162    H    VAL  26           H        VAL  26   6.980   4.899   0.444
  163    HA   VAL  26           HA       VAL  26   9.341   6.017  -0.694
  164    HB   VAL  26           HB       VAL  26   8.620   5.568   2.220
  165   1HG1  VAL  26          1HG1      VAL  26  10.356   7.458   2.494
  166   2HG1  VAL  26          2HG1      VAL  26  10.929   6.951   0.905
  167   3HG1  VAL  26          3HG1      VAL  26  10.934   5.809   2.249
  168   1HG2  VAL  26          1HG2      VAL  26   7.427   7.264   0.444
  169   2HG2  VAL  26          2HG2      VAL  26   8.676   8.292   1.147
  170   3HG2  VAL  26          3HG2      VAL  26   7.493   7.504   2.189
  171    H    HIS  27           H        HIS  27   8.645   3.058   1.104
  172    HA   HIS  27           HA       HIS  27  11.312   2.292   1.578
  173   1HB   HIS  27          2HB       HIS  27   8.859   0.563   1.145
  174   2HB   HIS  27          1HB       HIS  27  10.392  -0.005   1.796
  175    HD1  HIS  27          1HD       HIS  27   9.870   3.233   3.138
  176    HD2  HIS  27          2HD       HIS  27   8.392  -0.554   3.982
  177    HE1  HIS  27          1HE       HIS  27   8.966   3.370   5.465
  178    HE2  HIS  27          2HE       HIS  27   7.995   1.097   5.935
  179    H    ARG  28           H        ARG  28   9.087   1.529  -1.083
  180    HA   ARG  28           HA       ARG  28  10.971   0.028  -2.587
  181   1HB   ARG  28          2HB       ARG  28   8.335   1.327  -3.224
  182   2HB   ARG  28          1HB       ARG  28   9.292   0.557  -4.482
  183   1HG   ARG  28          2HG       ARG  28   8.985  -1.160  -2.173
  184   2HG   ARG  28          1HG       ARG  28   7.429  -0.653  -2.832
  185   1HD   ARG  28          2HD       ARG  28   8.403  -2.774  -3.798
  186   2HD   ARG  28          1HD       ARG  28   7.933  -1.537  -4.964
  187    HE   ARG  28           HE       ARG  28  10.685  -1.350  -4.203
  188   1HH1  ARG  28          1HH1      ARG  28   8.443  -3.006  -6.303
  189   2HH1  ARG  28          2HH1      ARG  28   9.645  -3.393  -7.487
  190   1HH2  ARG  28          1HH2      ARG  28  12.267  -1.857  -5.760
  191   2HH2  ARG  28          2HH2      ARG  28  11.817  -2.742  -7.179
  192    H    LEU  29           H        LEU  29   9.918   3.403  -2.670
  193    HA   LEU  29           HA       LEU  29  11.419   4.116  -4.968
  194   1HB   LEU  29          2HB       LEU  29   9.521   5.423  -4.430
  195   2HB   LEU  29          1HB       LEU  29  10.095   5.710  -2.799
  196    HG   LEU  29           HG       LEU  29  11.867   7.149  -3.635
  197   1HD1  LEU  29          1HD1      LEU  29  12.052   7.717  -5.984
  198   2HD1  LEU  29          2HD1      LEU  29  10.727   6.622  -6.378
  199   3HD1  LEU  29          3HD1      LEU  29  12.251   5.979  -5.766
  200   1HD2  LEU  29          1HD2      LEU  29   9.082   7.734  -4.589
  201   2HD2  LEU  29          2HD2      LEU  29  10.391   8.910  -4.714
  202   3HD2  LEU  29          3HD2      LEU  29   9.892   8.310  -3.133
  203    H    ALA  30           H        ALA  30  11.959   4.519  -1.521
  204    HA   ALA  30           HA       ALA  30  14.403   5.931  -1.774
  205   1HB   ALA  30          1HB       ALA  30  12.791   5.915   0.183
  206   2HB   ALA  30          2HB       ALA  30  14.513   5.855   0.567
  207   3HB   ALA  30          3HB       ALA  30  13.537   4.385   0.645
  208    H    ASN  31           H        ASN  31  13.621   2.508  -1.476
  209    HA   ASN  31           HA       ASN  31  16.379   1.783  -1.022
  210   1HB   ASN  31          2HB       ASN  31  14.190   0.539  -0.246
  211   2HB   ASN  31          1HB       ASN  31  14.316  -0.228  -1.828
  212   1HD2  ASN  31          1HD2      ASN  31  14.583  -1.364   0.841
  213   2HD2  ASN  31          2HD2      ASN  31  16.147  -2.093   0.898
  214    H    GLY  32           H        GLY  32  14.295   2.239  -3.733
  215   1HA   GLY  32          2HA       GLY  32  16.516   1.596  -5.515
  216   2HA   GLY  32          1HA       GLY  32  15.031   0.685  -5.749
  217    H    GLY  33           H        GLY  33  13.580   1.500  -7.116
  218   1HA   GLY  33          2HA       GLY  33  12.408   3.014  -8.392
  219   2HA   GLY  33          1HA       GLY  33  13.018   4.281  -7.338
  220    H    ASN  34           H        ASN  34  15.460   4.722  -7.693
  221    HA   ASN  34           HA       ASN  34  16.311   4.382 -10.448
  222   1HB   ASN  34          2HB       ASN  34  15.304   6.940  -9.342
  223   2HB   ASN  34          1HB       ASN  34  16.790   7.033 -10.281
  224   1HD2  ASN  34          1HD2      ASN  34  14.260   8.161 -10.954
  225   2HD2  ASN  34          2HD2      ASN  34  13.753   7.434 -12.437
  226    H    GLY  35           H        GLY  35  18.081   3.257  -9.648
  227   1HA   GLY  35          2HA       GLY  35  19.724   4.089  -7.527
  228   2HA   GLY  35          1HA       GLY  35  20.201   2.984  -8.809
  229    H    PHE  36           H        PHE  36  22.296   3.864  -8.864
  230    HA   PHE  36           HA       PHE  36  22.566   6.104 -10.645
  231   1HB   PHE  36          2HB       PHE  36  23.574   6.330  -7.796
  232   2HB   PHE  36          1HB       PHE  36  24.073   7.395  -9.106
  233    HD1  PHE  36          1HD       PHE  36  21.431   6.540  -6.764
  234    HD2  PHE  36          2HD       PHE  36  22.494   8.989 -10.078
  235    HE1  PHE  36          1HE       PHE  36  19.492   7.986  -6.312
  236    HE2  PHE  36          2HE       PHE  36  20.557  10.439  -9.632
  237    HZ   PHE  36           HZ       PHE  36  19.053   9.938  -7.748
  238    H    TRP  37           H        TRP  37  24.724   6.332 -11.458
  239    HA   TRP  37           HA       TRP  37  26.144   3.837 -11.548
  240   1HB   TRP  37          2HB       TRP  37  25.882   6.033 -13.241
  241   2HB   TRP  37          1HB       TRP  37  27.560   6.103 -12.710
  242    HD1  TRP  37           HD       TRP  37  29.076   4.923 -14.387
  243    HE1  TRP  37          1HE       TRP  37  28.910   2.843 -15.892
  244    HE3  TRP  37          3HE       TRP  37  24.320   3.452 -13.221
  245    HZ2  TRP  37          2HZ       TRP  37  27.016   0.843 -16.505
  246    HZ3  TRP  37          3HZ       TRP  37  23.406   1.445 -14.311
  247    HH2  TRP  37           HH       TRP  37  24.728   0.169 -15.919
  Start of MODEL    9
    1    HA   LYS   1           HA       LYS   1  -7.127  -6.293   6.834
    2   1HB   LYS   1          2HB       LYS   1  -7.564  -7.323   4.649
    3   2HB   LYS   1          1HB       LYS   1  -9.032  -7.247   5.612
    4   1HG   LYS   1          2HG       LYS   1  -9.663  -5.194   4.341
    5   2HG   LYS   1          1HG       LYS   1  -8.271  -5.484   3.296
    6   1HD   LYS   1          2HD       LYS   1  -9.812  -6.598   2.065
    7   2HD   LYS   1          1HD       LYS   1  -9.404  -7.904   3.179
    8   1HE   LYS   1          2HE       LYS   1 -11.496  -7.965   3.926
    9   2HE   LYS   1          1HE       LYS   1 -11.420  -6.260   4.361
   10   1HZ   LYS   1          1HZ       LYS   1 -11.729  -6.211   1.664
   11   2HZ   LYS   1          2HZ       LYS   1 -12.964  -5.988   2.797
   12   3HZ   LYS   1          3HZ       LYS   1 -12.702  -7.517   2.124
   13    H    TYR   2           H        TYR   2  -5.111  -5.425   6.613
   14    HA   TYR   2           HA       TYR   2  -4.662  -3.226   4.819
   15   1HB   TYR   2          2HB       TYR   2  -3.421  -4.099   7.111
   16   2HB   TYR   2          1HB       TYR   2  -2.265  -4.537   5.854
   17    HD1  TYR   2          1HD       TYR   2  -0.864  -2.865   4.925
   18    HD2  TYR   2          2HD       TYR   2  -4.307  -1.784   7.123
   19    HE1  TYR   2          1HE       TYR   2  -0.168  -0.539   4.829
   20    HE2  TYR   2          2HE       TYR   2  -3.607   0.565   7.068
   21    HH   TYR   2           HH       TYR   2  -0.667   1.546   6.474
   22    H    TYR   3           H        TYR   3  -3.597  -3.280   2.874
   23    HA   TYR   3           HA       TYR   3  -3.101  -5.973   1.766
   24   1HB   TYR   3          2HB       TYR   3  -4.108  -3.417   0.595
   25   2HB   TYR   3          1HB       TYR   3  -3.233  -4.533  -0.449
   26    HD1  TYR   3          1HD       TYR   3  -6.392  -3.723   0.949
   27    HD2  TYR   3          2HD       TYR   3  -4.069  -6.987  -0.470
   28    HE1  TYR   3          1HE       TYR   3  -8.448  -5.030   0.611
   29    HE2  TYR   3          2HE       TYR   3  -6.119  -8.308  -0.804
   30    HH   TYR   3           HH       TYR   3  -9.125  -7.022  -0.922
   31    H    GLY   4           H        GLY   4  -1.156  -4.630   3.380
   32   1HA   GLY   4          2HA       GLY   4   1.038  -3.932   3.375
   33   2HA   GLY   4          1HA       GLY   4   1.191  -5.077   2.047
   34    H    ASN   5           H        ASN   5  -0.931  -2.401   1.607
   35    HA   ASN   5           HA       ASN   5   1.083  -0.755   0.297
   36   1HB   ASN   5          2HB       ASN   5  -1.236  -2.081  -1.109
   37   2HB   ASN   5          1HB       ASN   5  -0.513  -0.597  -1.723
   38   1HD2  ASN   5          1HD2      ASN   5  -0.137  -3.993  -1.284
   39   2HD2  ASN   5          2HD2      ASN   5   1.320  -4.168  -2.195
   40    H    GLY   6           H        GLY   6  -0.206  -0.197   2.644
   41   1HA   GLY   6          2HA       GLY   6  -1.637   1.268   3.699
   42   2HA   GLY   6          1HA       GLY   6  -1.204   2.328   2.371
   43    H    VAL   7           H        VAL   7  -3.173  -0.627   2.578
   44    HA   VAL   7           HA       VAL   7  -5.551   0.882   1.784
   45    HB   VAL   7           HB       VAL   7  -4.412  -1.381   0.151
   46   1HG1  VAL   7          1HG1      VAL   7  -6.667  -1.995   0.474
   47   2HG1  VAL   7          2HG1      VAL   7  -6.621  -1.173  -1.087
   48   3HG1  VAL   7          3HG1      VAL   7  -7.206  -0.322   0.348
   49   1HG2  VAL   7          1HG2      VAL   7  -5.655   0.891  -1.172
   50   2HG2  VAL   7          2HG2      VAL   7  -4.068   0.160  -1.436
   51   3HG2  VAL   7          3HG2      VAL   7  -4.290   1.352  -0.157
   52    H    HIS   8           H        HIS   8  -6.884   0.404   3.371
   53    HA   HIS   8           HA       HIS   8  -7.182  -2.419   4.110
   54   1HB   HIS   8          2HB       HIS   8  -8.140  -0.993   6.291
   55   2HB   HIS   8          1HB       HIS   8  -6.598  -1.835   6.201
   56    HD1  HIS   8          1HD       HIS   8  -7.759   1.217   7.313
   57    HD2  HIS   8          2HD       HIS   8  -4.697   0.140   4.722
   58    HE1  HIS   8          1HE       HIS   8  -6.194   3.182   7.281
   59    HE2  HIS   8          2HE       HIS   8  -4.289   2.461   5.796
   60    H    CYS   9           H        CYS   9  -9.200  -3.227   4.227
   61    HA   CYS   9           HA       CYS   9 -11.333  -1.385   3.448
   62   1HB   CYS   9          2HB       CYS   9 -11.344  -4.378   3.099
   63   2HB   CYS   9          1HB       CYS   9 -12.474  -3.215   2.418
   64    H    THR  10           H        THR  10 -12.112  -0.706   5.348
   65    HA   THR  10           HA       THR  10 -12.685  -2.651   7.451
   66    HB   THR  10           HB       THR  10 -13.050  -0.727   8.888
   67    HG1  THR  10          1HG       THR  10 -12.957   0.684   6.453
   68   1HG2  THR  10          1HG2      THR  10 -10.694   0.222   7.365
   69   2HG2  THR  10          2HG2      THR  10 -10.639  -1.397   8.060
   70   3HG2  THR  10          3HG2      THR  10 -10.912  -0.001   9.101
   71    H    LYS  11           H        LYS  11 -14.785  -1.444   8.728
   72    HA   LYS  11           HA       LYS  11 -16.981  -2.549   7.424
   73   1HB   LYS  11          2HB       LYS  11 -18.270  -1.767   9.226
   74   2HB   LYS  11          1HB       LYS  11 -16.665  -2.030   9.894
   75   1HG   LYS  11          2HG       LYS  11 -17.667   0.661   8.998
   76   2HG   LYS  11          1HG       LYS  11 -17.811   0.058  10.650
   77   1HD   LYS  11          2HD       LYS  11 -15.319  -0.262  10.645
   78   2HD   LYS  11          1HD       LYS  11 -15.281   0.595   9.102
   79   1HE   LYS  11          2HE       LYS  11 -14.789   2.155  10.858
   80   2HE   LYS  11          1HE       LYS  11 -16.386   2.522  10.209
   81   1HZ   LYS  11          1HZ       LYS  11 -15.641   1.775  12.858
   82   2HZ   LYS  11          2HZ       LYS  11 -16.855   0.764  12.254
   83   3HZ   LYS  11          3HZ       LYS  11 -17.094   2.437  12.297
   84    H    SER  12           H        SER  12 -15.454   0.463   6.916
   85    HA   SER  12           HA       SER  12 -17.821   1.628   5.660
   86   1HB   SER  12          2HB       SER  12 -15.964   3.511   5.262
   87   2HB   SER  12          1HB       SER  12 -16.828   3.359   6.793
   88    HG   SER  12           HG       SER  12 -14.952   3.056   7.662
   89    H    GLY  13           H        GLY  13 -15.583  -0.539   4.769
   90   1HA   GLY  13          2HA       GLY  13 -15.547  -1.327   2.493
   91   2HA   GLY  13          1HA       GLY  13 -15.658   0.345   1.960
   92    H    CYS  14           H        CYS  14 -13.794  -0.084   0.609
   93    HA   CYS  14           HA       CYS  14 -11.266  -0.516   1.998
   94   1HB   CYS  14          2HB       CYS  14 -11.840  -0.226  -0.940
   95   2HB   CYS  14          1HB       CYS  14 -10.270  -0.581  -0.230
   96    H    SER  15           H        SER  15  -9.842   0.945   2.447
   97    HA   SER  15           HA       SER  15 -10.086   3.606   1.234
   98   1HB   SER  15          2HB       SER  15  -9.486   3.602   4.132
   99   2HB   SER  15          1HB       SER  15 -10.458   4.726   3.182
  100    HG   SER  15           HG       SER  15 -12.021   2.914   3.083
  101    H    VAL  16           H        VAL  16  -8.168   5.023   2.119
  102    HA   VAL  16           HA       VAL  16  -5.752   3.381   2.360
  103    HB   VAL  16           HB       VAL  16  -6.080   5.605   0.344
  104   1HG1  VAL  16          1HG1      VAL  16  -3.737   4.263   1.509
  105   2HG1  VAL  16          2HG1      VAL  16  -3.884   5.854   0.775
  106   3HG1  VAL  16          3HG1      VAL  16  -3.726   4.425  -0.244
  107   1HG2  VAL  16          1HG2      VAL  16  -6.107   2.660   0.174
  108   2HG2  VAL  16          2HG2      VAL  16  -5.253   3.545  -1.098
  109   3HG2  VAL  16          3HG2      VAL  16  -6.967   3.862  -0.798
  110    H    ASN  17           H        ASN  17  -4.462   4.094   3.922
  111    HA   ASN  17           HA       ASN  17  -4.987   6.521   5.321
  112   1HB   ASN  17          2HB       ASN  17  -3.461   4.178   5.773
  113   2HB   ASN  17          1HB       ASN  17  -2.343   5.537   5.866
  114   1HD2  ASN  17          1HD2      ASN  17  -2.542   7.015   7.507
  115   2HD2  ASN  17          2HD2      ASN  17  -3.562   6.767   8.878
  116    H    TRP  18           H        TRP  18  -3.098   5.622   2.632
  117    HA   TRP  18           HA       TRP  18  -1.798   6.732   1.172
  118   1HB   TRP  18          2HB       TRP  18  -3.054   9.078   2.592
  119   2HB   TRP  18          1HB       TRP  18  -1.924   9.280   1.247
  120    HD1  TRP  18           HD       TRP  18  -5.519   8.825   1.891
  121    HE1  TRP  18          1HE       TRP  18  -6.757   8.166  -0.264
  122    HE3  TRP  18          3HE       TRP  18  -1.504   7.658  -0.987
  123    HZ2  TRP  18          2HZ       TRP  18  -6.101   7.257  -2.854
  124    HZ3  TRP  18          3HZ       TRP  18  -1.878   6.892  -3.301
  125    HH2  TRP  18           HH       TRP  18  -4.136   6.687  -4.203
  126    H    GLY  19           H        GLY  19  -1.415   8.585   4.221
  127   1HA   GLY  19          2HA       GLY  19   1.337   8.954   3.873
  128   2HA   GLY  19          1HA       GLY  19   0.515   8.953   5.437
  129    H    GLU  20           H        GLU  20  -0.514   6.210   4.947
  130    HA   GLU  20           HA       GLU  20   1.713   4.752   6.030
  131   1HB   GLU  20          2HB       GLU  20  -1.113   3.951   5.286
  132   2HB   GLU  20          1HB       GLU  20   0.076   2.794   5.886
  133   1HG   GLU  20          2HG       GLU  20   0.339   4.318   7.895
  134   2HG   GLU  20          1HG       GLU  20  -1.090   5.167   7.319
  135    H    ALA  21           H        ALA  21  -0.090   4.854   3.005
  136    HA   ALA  21           HA       ALA  21   1.334   2.741   1.713
  137   1HB   ALA  21          1HB       ALA  21  -0.908   3.530   1.027
  138   2HB   ALA  21          2HB       ALA  21   0.254   3.557  -0.300
  139   3HB   ALA  21          3HB       ALA  21  -0.184   5.054   0.524
  140    H    PHE  22           H        PHE  22   1.635   6.219   1.964
  141    HA   PHE  22           HA       PHE  22   3.582   6.682   0.002
  142   1HB   PHE  22          2HB       PHE  22   2.285   8.439   1.225
  143   2HB   PHE  22          1HB       PHE  22   3.234   8.090   2.666
  144    HD1  PHE  22          1HD       PHE  22   5.724   8.469   2.581
  145    HD2  PHE  22          2HD       PHE  22   3.067   9.922  -0.406
  146    HE1  PHE  22          1HE       PHE  22   7.433  10.078   1.852
  147    HE2  PHE  22          2HE       PHE  22   4.772  11.537  -1.141
  148    HZ   PHE  22           HZ       PHE  22   6.959  11.616  -0.013
  149    H    SER  23           H        SER  23   3.719   5.643   3.334
  150    HA   SER  23           HA       SER  23   6.568   5.697   3.595
  151   1HB   SER  23          2HB       SER  23   5.062   5.682   5.563
  152   2HB   SER  23          1HB       SER  23   4.533   4.054   5.136
  153    HG   SER  23           HG       SER  23   7.206   4.800   5.739
  154    H    ALA  24           H        ALA  24   4.228   3.452   2.355
  155    HA   ALA  24           HA       ALA  24   5.975   1.182   2.241
  156   1HB   ALA  24          1HB       ALA  24   3.371   1.285   2.241
  157   2HB   ALA  24          2HB       ALA  24   4.192   0.049   1.285
  158   3HB   ALA  24          3HB       ALA  24   3.563   1.501   0.502
  159    H    GLY  25           H        GLY  25   4.721   3.519  -0.113
  160   1HA   GLY  25          2HA       GLY  25   6.105   2.504  -2.346
  161   2HA   GLY  25          1HA       GLY  25   5.471   4.137  -2.193
  162    H    VAL  26           H        VAL  26   7.031   4.878   0.109
  163    HA   VAL  26           HA       VAL  26   9.368   5.802  -1.201
  164    HB   VAL  26           HB       VAL  26   8.767   5.696   1.776
  165   1HG1  VAL  26          1HG1      VAL  26  10.909   7.116   0.210
  166   2HG1  VAL  26          2HG1      VAL  26  11.112   5.967   1.532
  167   3HG1  VAL  26          3HG1      VAL  26  10.455   7.573   1.850
  168   1HG2  VAL  26          1HG2      VAL  26   8.671   8.251   0.321
  169   2HG2  VAL  26          2HG2      VAL  26   7.617   7.618   1.586
  170   3HG2  VAL  26          3HG2      VAL  26   7.398   7.100  -0.085
  171    H    HIS  27           H        HIS  27   8.791   3.119   1.060
  172    HA   HIS  27           HA       HIS  27  11.495   2.429   1.432
  173   1HB   HIS  27          2HB       HIS  27   9.053   0.630   1.408
  174   2HB   HIS  27          1HB       HIS  27  10.638   0.175   2.022
  175    HD1  HIS  27          1HD       HIS  27  10.117   3.558   2.962
  176    HD2  HIS  27          2HD       HIS  27   8.807  -0.114   4.393
  177    HE1  HIS  27          1HE       HIS  27   9.341   3.988   5.299
  178    HE2  HIS  27          2HE       HIS  27   8.672   1.733   6.199
  179    H    ARG  28           H        ARG  28   9.199   1.851  -1.118
  180    HA   ARG  28           HA       ARG  28  10.782  -0.058  -2.552
  181   1HB   ARG  28          2HB       ARG  28   8.321   0.051  -2.743
  182   2HB   ARG  28          1HB       ARG  28   8.459   1.635  -3.491
  183   1HG   ARG  28          2HG       ARG  28   8.295   0.411  -5.373
  184   2HG   ARG  28          1HG       ARG  28  10.038   0.263  -5.142
  185   1HD   ARG  28          2HD       ARG  28   9.269  -1.923  -5.564
  186   2HD   ARG  28          1HD       ARG  28   9.542  -1.845  -3.824
  187    HE   ARG  28           HE       ARG  28   6.854  -1.201  -4.443
  188   1HH1  ARG  28          1HH1      ARG  28   9.049  -3.905  -4.231
  189   2HH1  ARG  28          2HH1      ARG  28   7.799  -5.052  -3.882
  190   1HH2  ARG  28          1HH2      ARG  28   5.210  -2.708  -3.982
  191   2HH2  ARG  28          2HH2      ARG  28   5.620  -4.373  -3.741
  192    H    LEU  29           H        LEU  29   9.962   3.377  -3.117
  193    HA   LEU  29           HA       LEU  29  11.712   3.663  -5.332
  194   1HB   LEU  29          2HB       LEU  29  10.837   5.999  -3.714
  195   2HB   LEU  29          1HB       LEU  29  11.042   5.865  -5.448
  196    HG   LEU  29           HG       LEU  29   8.779   4.796  -3.792
  197   1HD1  LEU  29          1HD1      LEU  29   8.796   7.203  -4.388
  198   2HD1  LEU  29          2HD1      LEU  29   7.424   6.304  -5.040
  199   3HD1  LEU  29          3HD1      LEU  29   8.779   6.731  -6.087
  200   1HD2  LEU  29          1HD2      LEU  29   9.765   3.986  -6.432
  201   2HD2  LEU  29          2HD2      LEU  29   8.037   4.334  -6.346
  202   3HD2  LEU  29          3HD2      LEU  29   8.748   3.120  -5.281
  203    H    ALA  30           H        ALA  30  11.880   4.730  -2.002
  204    HA   ALA  30           HA       ALA  30  14.358   6.043  -2.188
  205   1HB   ALA  30          1HB       ALA  30  13.340   4.827   0.346
  206   2HB   ALA  30          2HB       ALA  30  12.533   6.205  -0.399
  207   3HB   ALA  30          3HB       ALA  30  14.218   6.339   0.112
  208    H    ASN  31           H        ASN  31  13.817   2.748  -2.434
  209    HA   ASN  31           HA       ASN  31  16.183   1.915  -0.999
  210   1HB   ASN  31          2HB       ASN  31  14.187   0.448  -1.166
  211   2HB   ASN  31          1HB       ASN  31  14.456   0.318  -2.902
  212   1HD2  ASN  31          1HD2      ASN  31  16.118  -0.943  -3.663
  213   2HD2  ASN  31          2HD2      ASN  31  17.007  -2.031  -2.659
  214    H    GLY  32           H        GLY  32  15.366   2.940  -4.191
  215   1HA   GLY  32          2HA       GLY  32  17.521   1.684  -5.568
  216   2HA   GLY  32          1HA       GLY  32  16.566   3.036  -6.154
  217    H    GLY  33           H        GLY  33  17.140   5.197  -5.381
  218   1HA   GLY  33          2HA       GLY  33  19.213   6.020  -3.864
  219   2HA   GLY  33          1HA       GLY  33  20.018   5.502  -5.337
  220    H    ASN  34           H        ASN  34  18.560   8.070  -3.773
  221    HA   ASN  34           HA       ASN  34  17.754   9.462  -6.198
  222   1HB   ASN  34          2HB       ASN  34  16.412   9.620  -4.090
  223   2HB   ASN  34          1HB       ASN  34  17.758  10.486  -3.352
  224   1HD2  ASN  34          1HD2      ASN  34  15.113  10.648  -5.553
  225   2HD2  ASN  34          2HD2      ASN  34  15.202  12.343  -5.871
  226    H    GLY  35           H        GLY  35  20.416   9.349  -3.964
  227   1HA   GLY  35          2HA       GLY  35  22.581  10.141  -4.500
  228   2HA   GLY  35          1HA       GLY  35  21.865  11.252  -5.659
  229    H    PHE  36           H        PHE  36  21.958  13.324  -5.083
  230    HA   PHE  36           HA       PHE  36  21.272  14.196  -2.447
  231   1HB   PHE  36          2HB       PHE  36  23.468  15.331  -2.010
  232   2HB   PHE  36          1HB       PHE  36  23.519  13.573  -1.901
  233    HD1  PHE  36          1HD       PHE  36  24.581  16.497  -3.796
  234    HD2  PHE  36          2HD       PHE  36  24.686  12.262  -3.534
  235    HE1  PHE  36          1HE       PHE  36  26.428  16.454  -5.424
  236    HE2  PHE  36          2HE       PHE  36  26.540  12.200  -5.160
  237    HZ   PHE  36           HZ       PHE  36  27.411  14.301  -6.106
  238    H    TRP  37           H        TRP  37  20.127  14.779  -4.860
  239    HA   TRP  37           HA       TRP  37  20.296  17.638  -4.885
  240   1HB   TRP  37          2HB       TRP  37  22.183  16.714  -6.445
  241   2HB   TRP  37          1HB       TRP  37  20.857  16.401  -7.559
  242    HD1  TRP  37           HD       TRP  37  22.977  19.194  -6.140
  243    HE1  TRP  37          1HE       TRP  37  22.399  21.394  -7.343
  244    HE3  TRP  37          3HE       TRP  37  18.841  17.649  -8.720
  245    HZ2  TRP  37          2HZ       TRP  37  20.450  22.349  -9.147
  246    HZ3  TRP  37          3HZ       TRP  37  17.679  19.269 -10.161
  247    HH2  TRP  37           HH       TRP  37  18.467  21.570 -10.368
  Start of MODEL   10
    1    HA   LYS   1           HA       LYS   1  -7.057  -5.892   7.358
    2   1HB   LYS   1          2HB       LYS   1  -7.433  -6.878   5.117
    3   2HB   LYS   1          1HB       LYS   1  -8.877  -6.931   6.120
    4   1HG   LYS   1          2HG       LYS   1  -9.413  -4.672   4.891
    5   2HG   LYS   1          1HG       LYS   1  -8.308  -5.329   3.682
    6   1HD   LYS   1          2HD       LYS   1 -10.770  -6.707   4.754
    7   2HD   LYS   1          1HD       LYS   1 -10.637  -5.907   3.186
    8   1HE   LYS   1          2HE       LYS   1  -9.105  -7.505   2.386
    9   2HE   LYS   1          1HE       LYS   1  -8.799  -8.138   4.003
   10   1HZ   LYS   1          1HZ       LYS   1 -11.348  -8.659   3.881
   11   2HZ   LYS   1          2HZ       LYS   1 -10.214  -9.713   3.200
   12   3HZ   LYS   1          3HZ       LYS   1 -11.064  -8.634   2.213
   13    H    TYR   2           H        TYR   2  -5.084  -4.953   7.184
   14    HA   TYR   2           HA       TYR   2  -4.659  -2.766   5.361
   15   1HB   TYR   2          2HB       TYR   2  -3.485  -3.549   7.729
   16   2HB   TYR   2          1HB       TYR   2  -2.250  -3.908   6.523
   17    HD1  TYR   2          1HD       TYR   2  -4.494  -1.305   7.751
   18    HD2  TYR   2          2HD       TYR   2  -0.976  -2.162   5.579
   19    HE1  TYR   2          1HE       TYR   2  -3.950   1.099   7.705
   20    HE2  TYR   2          2HE       TYR   2  -0.421   0.216   5.488
   21    HH   TYR   2           HH       TYR   2  -1.874   2.507   7.453
   22    H    TYR   3           H        TYR   3  -3.510  -2.825   3.457
   23    HA   TYR   3           HA       TYR   3  -2.880  -5.524   2.441
   24   1HB   TYR   3          2HB       TYR   3  -3.880  -3.015   1.183
   25   2HB   TYR   3          1HB       TYR   3  -2.858  -4.063   0.200
   26    HD1  TYR   3          1HD       TYR   3  -6.157  -3.456   1.373
   27    HD2  TYR   3          2HD       TYR   3  -3.551  -6.537   0.050
   28    HE1  TYR   3          1HE       TYR   3  -8.104  -4.872   0.882
   29    HE2  TYR   3          2HE       TYR   3  -5.486  -7.973  -0.438
   30    HH   TYR   3           HH       TYR   3  -8.491  -6.941  -0.822
   31    H    GLY   4           H        GLY   4  -1.052  -4.130   4.158
   32   1HA   GLY   4          2HA       GLY   4   1.119  -3.367   4.267
   33   2HA   GLY   4          1HA       GLY   4   1.383  -4.594   3.034
   34    H    ASN   5           H        ASN   5  -0.704  -1.922   2.323
   35    HA   ASN   5           HA       ASN   5   1.398  -0.399   0.995
   36   1HB   ASN   5          2HB       ASN   5  -0.816  -1.883  -0.386
   37   2HB   ASN   5          1HB       ASN   5  -0.274  -0.344  -1.046
   38   1HD2  ASN   5          1HD2      ASN   5  -0.071  -3.177  -1.988
   39   2HD2  ASN   5          2HD2      ASN   5   1.603  -3.396  -2.350
   40    H    GLY   6           H        GLY   6  -0.308   0.069   3.287
   41   1HA   GLY   6          2HA       GLY   6  -1.669   1.706   4.151
   42   2HA   GLY   6          1HA       GLY   6  -1.118   2.689   2.805
   43    H    VAL   7           H        VAL   7  -3.142  -0.220   3.034
   44    HA   VAL   7           HA       VAL   7  -5.445   1.249   2.010
   45    HB   VAL   7           HB       VAL   7  -4.146  -0.998   0.494
   46   1HG1  VAL   7          1HG1      VAL   7  -6.995  -0.094   0.555
   47   2HG1  VAL   7          2HG1      VAL   7  -6.368  -1.739   0.677
   48   3HG1  VAL   7          3HG1      VAL   7  -6.307  -0.883  -0.865
   49   1HG2  VAL   7          1HG2      VAL   7  -4.144   1.732   0.158
   50   2HG2  VAL   7          2HG2      VAL   7  -5.430   1.195  -0.920
   51   3HG2  VAL   7          3HG2      VAL   7  -3.798   0.543  -1.097
   52    H    HIS   8           H        HIS   8  -6.798   0.819   3.595
   53    HA   HIS   8           HA       HIS   8  -7.136  -1.985   4.391
   54   1HB   HIS   8          2HB       HIS   8  -8.364  -0.369   6.338
   55   2HB   HIS   8          1HB       HIS   8  -6.883  -1.303   6.509
   56    HD1  HIS   8          1HD       HIS   8  -7.884   1.815   7.405
   57    HD2  HIS   8          2HD       HIS   8  -4.758   0.529   4.986
   58    HE1  HIS   8          1HE       HIS   8  -6.225   3.704   7.392
   59    HE2  HIS   8          2HE       HIS   8  -4.289   2.846   6.034
   60    H    CYS   9           H        CYS   9  -9.284  -2.665   4.891
   61    HA   CYS   9           HA       CYS   9 -11.343  -1.027   3.620
   62   1HB   CYS   9          2HB       CYS   9 -11.339  -4.019   3.399
   63   2HB   CYS   9          1HB       CYS   9 -12.253  -2.848   2.459
   64    H    THR  10           H        THR  10 -11.801  -0.334   5.715
   65    HA   THR  10           HA       THR  10 -12.850  -2.328   7.576
   66    HB   THR  10           HB       THR  10 -12.535  -0.802   9.283
   67    HG1  THR  10          1HG       THR  10 -12.960   1.167   7.314
   68   1HG2  THR  10          1HG2      THR  10 -10.341  -1.204   8.241
   69   2HG2  THR  10          2HG2      THR  10 -10.456   0.370   9.031
   70   3HG2  THR  10          3HG2      THR  10 -10.564   0.255   7.275
   71    H    LYS  11           H        LYS  11 -14.870  -2.703   7.893
   72    HA   LYS  11           HA       LYS  11 -17.106  -2.295   8.220
   73   1HB   LYS  11          2HB       LYS  11 -16.796   0.244   6.613
   74   2HB   LYS  11          1HB       LYS  11 -18.213  -0.263   7.510
   75   1HG   LYS  11          2HG       LYS  11 -15.897  -0.207   9.212
   76   2HG   LYS  11          1HG       LYS  11 -16.132   1.341   8.401
   77   1HD   LYS  11          2HD       LYS  11 -17.463   1.650  10.239
   78   2HD   LYS  11          1HD       LYS  11 -18.639   0.940   9.131
   79   1HE   LYS  11          2HE       LYS  11 -18.759  -1.004  10.290
   80   2HE   LYS  11          1HE       LYS  11 -17.061  -0.951  10.761
   81   1HZ   LYS  11          1HZ       LYS  11 -19.074  -0.498  12.440
   82   2HZ   LYS  11          2HZ       LYS  11 -18.756   1.087  11.941
   83   3HZ   LYS  11          3HZ       LYS  11 -17.528   0.159  12.642
   84    H    SER  12           H        SER  12 -16.885  -0.710   5.075
   85    HA   SER  12           HA       SER  12 -17.531  -3.187   3.700
   86   1HB   SER  12          2HB       SER  12 -19.612  -2.355   2.739
   87   2HB   SER  12          1HB       SER  12 -19.721  -2.367   4.499
   88    HG   SER  12           HG       SER  12 -20.392  -0.391   3.193
   89    H    GLY  13           H        GLY  13 -15.402  -1.095   3.650
   90   1HA   GLY  13          2HA       GLY  13 -15.171  -0.923   0.801
   91   2HA   GLY  13          1HA       GLY  13 -15.529   0.639   1.522
   92    H    CYS  14           H        CYS  14 -13.171   0.028   0.084
   93    HA   CYS  14           HA       CYS  14 -11.108  -0.188   2.135
   94   1HB   CYS  14          2HB       CYS  14 -10.783  -0.095  -0.848
   95   2HB   CYS  14          1HB       CYS  14  -9.534  -0.443   0.344
   96    H    SER  15           H        SER  15  -9.705   1.305   2.647
   97    HA   SER  15           HA       SER  15  -9.912   3.937   1.345
   98   1HB   SER  15          2HB       SER  15 -11.125   3.675   3.656
   99   2HB   SER  15          1HB       SER  15  -9.491   3.745   4.313
  100    HG   SER  15           HG       SER  15 -10.587   5.809   4.124
  101    H    VAL  16           H        VAL  16  -7.991   5.359   2.210
  102    HA   VAL  16           HA       VAL  16  -5.597   3.689   2.519
  103    HB   VAL  16           HB       VAL  16  -5.864   5.939   0.520
  104   1HG1  VAL  16          1HG1      VAL  16  -3.563   4.583   1.716
  105   2HG1  VAL  16          2HG1      VAL  16  -3.665   6.137   0.898
  106   3HG1  VAL  16          3HG1      VAL  16  -3.534   4.651  -0.044
  107   1HG2  VAL  16          1HG2      VAL  16  -6.004   3.006   0.327
  108   2HG2  VAL  16          2HG2      VAL  16  -5.065   3.848  -0.914
  109   3HG2  VAL  16          3HG2      VAL  16  -6.767   4.250  -0.673
  110    H    ASN  17           H        ASN  17  -4.239   4.412   4.037
  111    HA   ASN  17           HA       ASN  17  -4.818   6.829   5.465
  112   1HB   ASN  17          2HB       ASN  17  -3.296   4.475   5.948
  113   2HB   ASN  17          1HB       ASN  17  -2.198   5.846   6.095
  114   1HD2  ASN  17          1HD2      ASN  17  -5.647   5.601   6.840
  115   2HD2  ASN  17          2HD2      ASN  17  -5.492   5.995   8.515
  116    H    TRP  18           H        TRP  18  -2.879   5.917   2.821
  117    HA   TRP  18           HA       TRP  18  -1.578   7.031   1.370
  118   1HB   TRP  18          2HB       TRP  18  -2.802   9.376   2.818
  119   2HB   TRP  18          1HB       TRP  18  -1.671   9.580   1.475
  120    HD1  TRP  18           HD       TRP  18  -5.269   9.169   2.106
  121    HE1  TRP  18          1HE       TRP  18  -6.515   8.548  -0.055
  122    HE3  TRP  18          3HE       TRP  18  -1.270   7.938  -0.772
  123    HZ2  TRP  18          2HZ       TRP  18  -5.870   7.638  -2.648
  124    HZ3  TRP  18          3HZ       TRP  18  -1.654   7.189  -3.087
  125    HH2  TRP  18           HH       TRP  18  -3.915   7.032  -3.994
  126    H    GLY  19           H        GLY  19  -1.124   8.817   4.460
  127   1HA   GLY  19          2HA       GLY  19   1.636   9.151   4.049
  128   2HA   GLY  19          1HA       GLY  19   0.843   9.167   5.628
  129    H    GLU  20           H        GLU  20  -0.257   6.476   5.239
  130    HA   GLU  20           HA       GLU  20   1.956   4.950   6.246
  131   1HB   GLU  20          2HB       GLU  20  -0.941   4.361   5.663
  132   2HB   GLU  20          1HB       GLU  20   0.173   3.048   6.033
  133   1HG   GLU  20          2HG       GLU  20   0.257   5.308   7.905
  134   2HG   GLU  20          1HG       GLU  20  -1.267   4.425   7.867
  135    H    ALA  21           H        ALA  21   0.059   5.114   3.283
  136    HA   ALA  21           HA       ALA  21   1.377   2.962   1.941
  137   1HB   ALA  21          1HB       ALA  21   0.021   5.269   0.604
  138   2HB   ALA  21          2HB       ALA  21  -0.908   4.034   1.453
  139   3HB   ALA  21          3HB       ALA  21   0.107   3.586   0.081
  140    H    PHE  22           H        PHE  22   1.837   6.411   2.259
  141    HA   PHE  22           HA       PHE  22   3.670   6.864   0.180
  142   1HB   PHE  22          2HB       PHE  22   2.523   8.624   1.569
  143   2HB   PHE  22          1HB       PHE  22   3.596   8.201   2.899
  144    HD1  PHE  22          1HD       PHE  22   6.082   8.503   2.580
  145    HD2  PHE  22          2HD       PHE  22   3.197  10.122  -0.096
  146    HE1  PHE  22          1HE       PHE  22   7.765  10.080   1.724
  147    HE2  PHE  22          2HE       PHE  22   4.874  11.702  -0.955
  148    HZ   PHE  22           HZ       PHE  22   7.162  11.683  -0.045
  149    H    SER  23           H        SER  23   3.965   5.719   3.463
  150    HA   SER  23           HA       SER  23   6.828   5.655   3.534
  151   1HB   SER  23          2HB       SER  23   6.612   4.579   5.625
  152   2HB   SER  23          1HB       SER  23   5.194   5.621   5.536
  153    HG   SER  23           HG       SER  23   4.088   3.867   5.826
  154    H    ALA  24           H        ALA  24   4.302   3.510   2.486
  155    HA   ALA  24           HA       ALA  24   5.944   1.174   2.246
  156   1HB   ALA  24          1HB       ALA  24   3.374   1.340   2.460
  157   2HB   ALA  24          2HB       ALA  24   4.055   0.120   1.381
  158   3HB   ALA  24          3HB       ALA  24   3.405   1.620   0.719
  159    H    GLY  25           H        GLY  25   4.637   3.565  -0.019
  160   1HA   GLY  25          2HA       GLY  25   5.827   2.475  -2.336
  161   2HA   GLY  25          1HA       GLY  25   5.223   4.116  -2.167
  162    H    VAL  26           H        VAL  26   6.959   4.905  -0.011
  163    HA   VAL  26           HA       VAL  26   9.202   5.748  -1.523
  164    HB   VAL  26           HB       VAL  26   8.802   5.744   1.488
  165   1HG1  VAL  26          1HG1      VAL  26  10.576   7.624   1.273
  166   2HG1  VAL  26          2HG1      VAL  26  10.990   6.825  -0.244
  167   3HG1  VAL  26          3HG1      VAL  26  11.101   5.941   1.278
  168   1HG2  VAL  26          1HG2      VAL  26   7.809   7.769   1.312
  169   2HG2  VAL  26          2HG2      VAL  26   7.374   7.154  -0.283
  170   3HG2  VAL  26          3HG2      VAL  26   8.755   8.237  -0.101
  171    H    HIS  27           H        HIS  27   8.742   3.140   0.831
  172    HA   HIS  27           HA       HIS  27  11.456   2.388   1.011
  173   1HB   HIS  27          2HB       HIS  27   8.990   0.642   1.249
  174   2HB   HIS  27          1HB       HIS  27  10.604   0.220   1.807
  175    HD1  HIS  27          1HD       HIS  27  10.360   3.601   2.639
  176    HD2  HIS  27          2HD       HIS  27   8.667   0.144   4.198
  177    HE1  HIS  27          1HE       HIS  27   9.683   4.179   4.977
  178    HE2  HIS  27          2HE       HIS  27   8.569   2.110   5.875
  179    H    ARG  28           H        ARG  28   8.871   1.617  -1.232
  180    HA   ARG  28           HA       ARG  28  10.306  -0.352  -2.706
  181   1HB   ARG  28          2HB       ARG  28   7.898  -0.337  -2.752
  182   2HB   ARG  28          1HB       ARG  28   7.870   1.311  -3.358
  183   1HG   ARG  28          2HG       ARG  28   8.144   0.666  -5.476
  184   2HG   ARG  28          1HG       ARG  28   9.356  -0.547  -5.054
  185   1HD   ARG  28          2HD       ARG  28   6.407  -0.907  -4.555
  186   2HD   ARG  28          1HD       ARG  28   7.207  -1.435  -6.034
  187    HE   ARG  28           HE       ARG  28   8.655  -2.539  -3.974
  188   1HH1  ARG  28          1HH1      ARG  28   5.346  -2.679  -5.074
  189   2HH1  ARG  28          2HH1      ARG  28   5.092  -4.292  -4.497
  190   1HH2  ARG  28          1HH2      ARG  28   8.322  -4.658  -3.214
  191   2HH2  ARG  28          2HH2      ARG  28   6.781  -5.416  -3.440
  192    H    LEU  29           H        LEU  29   9.576   3.084  -3.297
  193    HA   LEU  29           HA       LEU  29  11.020   3.262  -5.726
  194   1HB   LEU  29          2HB       LEU  29  10.381   5.519  -3.858
  195   2HB   LEU  29          1HB       LEU  29  10.687   5.619  -5.581
  196    HG   LEU  29           HG       LEU  29   8.275   4.465  -4.219
  197   1HD1  LEU  29          1HD1      LEU  29   7.177   6.174  -5.738
  198   2HD1  LEU  29          2HD1      LEU  29   8.797   6.834  -5.969
  199   3HD1  LEU  29          3HD1      LEU  29   8.087   6.788  -4.356
  200   1HD2  LEU  29          1HD2      LEU  29   7.468   4.024  -6.536
  201   2HD2  LEU  29          2HD2      LEU  29   8.785   2.980  -5.994
  202   3HD2  LEU  29          3HD2      LEU  29   9.117   4.317  -7.095
  203    H    ALA  30           H        ALA  30  11.704   4.346  -2.486
  204    HA   ALA  30           HA       ALA  30  14.235   5.445  -2.980
  205   1HB   ALA  30          1HB       ALA  30  14.385   5.791  -0.697
  206   2HB   ALA  30          2HB       ALA  30  13.474   4.329  -0.316
  207   3HB   ALA  30          3HB       ALA  30  12.644   5.735  -0.982
  208    H    ASN  31           H        ASN  31  13.330   2.108  -2.325
  209    HA   ASN  31           HA       ASN  31  16.072   1.364  -1.743
  210   1HB   ASN  31          2HB       ASN  31  13.848   0.247  -0.870
  211   2HB   ASN  31          1HB       ASN  31  13.979  -0.686  -2.359
  212   1HD2  ASN  31          1HD2      ASN  31  16.708  -1.016  -2.545
  213   2HD2  ASN  31          2HD2      ASN  31  17.265  -1.964  -1.217
  214    H    GLY  32           H        GLY  32  14.022   1.611  -4.504
  215   1HA   GLY  32          2HA       GLY  32  15.259   1.728  -6.642
  216   2HA   GLY  32          1HA       GLY  32  16.109   0.279  -6.124
  217    H    GLY  33           H        GLY  33  13.559   1.468  -7.939
  218   1HA   GLY  33          2HA       GLY  33  12.819  -1.013  -8.973
  219   2HA   GLY  33          1HA       GLY  33  11.665  -0.622  -7.704
  220    H    ASN  34           H        ASN  34  11.969  -0.594 -10.896
  221    HA   ASN  34           HA       ASN  34  10.890   2.045 -11.443
  222   1HB   ASN  34          2HB       ASN  34  11.715  -0.291 -13.143
  223   2HB   ASN  34          1HB       ASN  34  10.728   0.998 -13.826
  224   1HD2  ASN  34          1HD2      ASN  34  12.821   0.948 -15.152
  225   2HD2  ASN  34          2HD2      ASN  34  14.049   2.055 -14.651
  226    H    GLY  35           H        GLY  35   9.744  -1.173 -10.904
  227   1HA   GLY  35          2HA       GLY  35   7.358  -1.245 -10.210
  228   2HA   GLY  35          1HA       GLY  35   7.015  -0.298 -11.650
  229    H    PHE  36           H        PHE  36   9.376  -2.854 -11.757
  230    HA   PHE  36           HA       PHE  36   9.362  -4.955 -12.647
  231   1HB   PHE  36          2HB       PHE  36   6.765  -4.717 -11.655
  232   2HB   PHE  36          1HB       PHE  36   6.551  -5.243 -13.323
  233    HD1  PHE  36          1HD       PHE  36   8.781  -6.034 -10.434
  234    HD2  PHE  36          2HD       PHE  36   6.419  -7.499 -13.655
  235    HE1  PHE  36          1HE       PHE  36   9.321  -8.343  -9.775
  236    HE2  PHE  36          2HE       PHE  36   6.952  -9.810 -13.002
  237    HZ   PHE  36           HZ       PHE  36   8.405 -10.234 -11.059
  238    H    TRP  37           H        TRP  37   8.516  -2.175 -14.188
  239    HA   TRP  37           HA       TRP  37   7.793  -3.231 -16.755
  240   1HB   TRP  37          2HB       TRP  37   8.291  -0.555 -15.589
  241   2HB   TRP  37          1HB       TRP  37   8.604  -0.713 -17.314
  242    HD1  TRP  37           HD       TRP  37   5.735  -2.580 -15.572
  243    HE1  TRP  37          1HE       TRP  37   3.506  -1.710 -16.519
  244    HE3  TRP  37          3HE       TRP  37   7.514   1.257 -18.445
  245    HZ2  TRP  37          2HZ       TRP  37   2.619   0.333 -18.253
  246    HZ3  TRP  37          3HZ       TRP  37   5.909   2.620 -19.716
  247    HH2  TRP  37           HH       TRP  37   3.512   2.167 -19.623
  Start of MODEL   11
    1    HA   LYS   1           HA       LYS   1  -6.687  -5.313   7.238
    2   1HB   LYS   1          2HB       LYS   1  -8.219  -6.751   6.331
    3   2HB   LYS   1          1HB       LYS   1  -8.999  -5.489   5.388
    4   1HG   LYS   1          2HG       LYS   1  -7.650  -5.794   3.588
    5   2HG   LYS   1          1HG       LYS   1  -6.272  -6.298   4.565
    6   1HD   LYS   1          2HD       LYS   1  -6.784  -8.331   3.714
    7   2HD   LYS   1          1HD       LYS   1  -7.934  -8.351   5.053
    8   1HE   LYS   1          2HE       LYS   1  -9.739  -7.949   3.681
    9   2HE   LYS   1          1HE       LYS   1  -8.758  -7.165   2.444
   10   1HZ   LYS   1          1HZ       LYS   1  -9.402  -9.248   1.584
   11   2HZ   LYS   1          2HZ       LYS   1  -8.988 -10.066   3.004
   12   3HZ   LYS   1          3HZ       LYS   1  -7.776  -9.420   2.018
   13    H    TYR   2           H        TYR   2  -4.712  -4.683   6.579
   14    HA   TYR   2           HA       TYR   2  -4.376  -2.598   4.651
   15   1HB   TYR   2          2HB       TYR   2  -2.916  -3.471   6.768
   16   2HB   TYR   2          1HB       TYR   2  -2.022  -4.184   5.425
   17    HD1  TYR   2          1HD       TYR   2  -0.494  -2.870   4.247
   18    HD2  TYR   2          2HD       TYR   2  -3.515  -1.033   6.569
   19    HE1  TYR   2          1HE       TYR   2   0.523  -0.695   3.817
   20    HE2  TYR   2          2HE       TYR   2  -2.503   1.162   6.155
   21    HH   TYR   2           HH       TYR   2   0.526   1.615   5.159
   22    H    TYR   3           H        TYR   3  -3.701  -2.767   2.576
   23    HA   TYR   3           HA       TYR   3  -3.555  -5.487   1.451
   24   1HB   TYR   3          2HB       TYR   3  -4.621  -2.901   0.481
   25   2HB   TYR   3          1HB       TYR   3  -3.834  -3.914  -0.734
   26    HD1  TYR   3          1HD       TYR   3  -6.763  -3.426   1.313
   27    HD2  TYR   3          2HD       TYR   3  -4.686  -6.245  -1.103
   28    HE1  TYR   3          1HE       TYR   3  -8.793  -4.810   1.189
   29    HE2  TYR   3          2HE       TYR   3  -6.710  -7.632  -1.239
   30    HH   TYR   3           HH       TYR   3  -9.780  -6.524  -0.107
   31    H    GLY   4           H        GLY   4  -1.313  -4.429   2.764
   32   1HA   GLY   4          2HA       GLY   4   0.914  -3.941   2.504
   33   2HA   GLY   4          1HA       GLY   4   0.784  -5.024   1.123
   34    H    ASN   5           H        ASN   5  -1.106  -2.150   0.961
   35    HA   ASN   5           HA       ASN   5   0.957  -0.629  -0.409
   36   1HB   ASN   5          2HB       ASN   5  -0.936  -2.239  -1.835
   37   2HB   ASN   5          1HB       ASN   5  -1.322  -0.546  -2.124
   38   1HD2  ASN   5          1HD2      ASN   5   0.300   0.812  -3.017
   39   2HD2  ASN   5          2HD2      ASN   5   1.578   0.145  -3.969
   40    H    GLY   6           H        GLY   6  -0.166   0.043   1.990
   41   1HA   GLY   6          2HA       GLY   6  -1.443   1.653   3.060
   42   2HA   GLY   6          1HA       GLY   6  -1.060   2.626   1.658
   43    H    VAL   7           H        VAL   7  -3.079  -0.229   2.171
   44    HA   VAL   7           HA       VAL   7  -5.465   1.291   1.434
   45    HB   VAL   7           HB       VAL   7  -4.443  -1.073  -0.136
   46   1HG1  VAL   7          1HG1      VAL   7  -6.816  -0.760  -1.215
   47   2HG1  VAL   7          2HG1      VAL   7  -7.209  -0.141   0.393
   48   3HG1  VAL   7          3HG1      VAL   7  -6.598  -1.788   0.206
   49   1HG2  VAL   7          1HG2      VAL   7  -4.303   0.341  -1.873
   50   2HG2  VAL   7          2HG2      VAL   7  -4.306   1.596  -0.636
   51   3HG2  VAL   7          3HG2      VAL   7  -5.809   1.152  -1.446
   52    H    HIS   8           H        HIS   8  -6.452   0.940   3.344
   53    HA   HIS   8           HA       HIS   8  -6.711  -1.843   4.194
   54   1HB   HIS   8          2HB       HIS   8  -7.697  -0.104   6.217
   55   2HB   HIS   8          1HB       HIS   8  -6.292  -1.159   6.274
   56    HD1  HIS   8          1HD       HIS   8  -6.831   1.944   7.311
   57    HD2  HIS   8          2HD       HIS   8  -4.314   0.536   4.321
   58    HE1  HIS   8          1HE       HIS   8  -5.093   3.725   7.021
   59    HE2  HIS   8          2HE       HIS   8  -3.505   2.809   5.287
   60    H    CYS   9           H        CYS   9  -8.704  -2.640   4.853
   61    HA   CYS   9           HA       CYS   9 -10.991  -1.130   3.820
   62   1HB   CYS   9          2HB       CYS   9 -10.097  -3.535   2.897
   63   2HB   CYS   9          1HB       CYS   9 -11.308  -4.041   4.071
   64    H    THR  10           H        THR  10 -11.547  -0.144   5.675
   65    HA   THR  10           HA       THR  10 -11.848  -1.716   8.101
   66    HB   THR  10           HB       THR  10 -12.137   0.416   9.227
   67    HG1  THR  10          1HG       THR  10 -12.284   1.414   6.593
   68   1HG2  THR  10          1HG2      THR  10 -10.011   1.220   9.076
   69   2HG2  THR  10          2HG2      THR  10  -9.969   1.105   7.317
   70   3HG2  THR  10          3HG2      THR  10  -9.796  -0.349   8.301
   71    H    LYS  11           H        LYS  11 -13.672  -1.876   9.288
   72    HA   LYS  11           HA       LYS  11 -15.804  -2.496   9.581
   73   1HB   LYS  11          2HB       LYS  11 -17.340  -0.735   9.730
   74   2HB   LYS  11          1HB       LYS  11 -15.764  -0.023  10.026
   75   1HG   LYS  11          2HG       LYS  11 -15.744   0.803   7.700
   76   2HG   LYS  11          1HG       LYS  11 -17.373   0.163   7.492
   77   1HD   LYS  11          2HD       LYS  11 -18.232   1.621   9.191
   78   2HD   LYS  11          1HD       LYS  11 -16.606   2.169   9.605
   79   1HE   LYS  11          2HE       LYS  11 -16.467   3.549   7.810
   80   2HE   LYS  11          1HE       LYS  11 -17.444   2.497   6.787
   81   1HZ   LYS  11          1HZ       LYS  11 -18.322   4.798   7.763
   82   2HZ   LYS  11          2HZ       LYS  11 -18.822   3.771   9.010
   83   3HZ   LYS  11          3HZ       LYS  11 -19.347   3.494   7.426
   84    H    SER  12           H        SER  12 -16.112  -0.726   6.427
   85    HA   SER  12           HA       SER  12 -16.986  -3.195   5.219
   86   1HB   SER  12          2HB       SER  12 -19.064  -2.561   6.175
   87   2HB   SER  12          1HB       SER  12 -18.870  -0.908   5.612
   88    HG   SER  12           HG       SER  12 -19.288  -3.217   4.027
   89    H    GLY  13           H        GLY  13 -15.012  -0.806   4.840
   90   1HA   GLY  13          2HA       GLY  13 -15.311  -0.816   1.942
   91   2HA   GLY  13          1HA       GLY  13 -15.421   0.756   2.714
   92    H    CYS  14           H        CYS  14 -13.483  -0.249   0.782
   93    HA   CYS  14           HA       CYS  14 -10.999  -0.359   2.313
   94   1HB   CYS  14          2HB       CYS  14 -11.469  -0.605  -0.654
   95   2HB   CYS  14          1HB       CYS  14  -9.917  -0.773   0.152
   96    H    SER  15           H        SER  15  -9.611   1.230   2.499
   97    HA   SER  15           HA       SER  15  -9.937   3.614   0.822
   98   1HB   SER  15          2HB       SER  15 -11.206   4.341   2.640
   99   2HB   SER  15          1HB       SER  15 -10.197   3.495   3.811
  100    HG   SER  15           HG       SER  15  -9.764   5.943   2.516
  101    H    VAL  16           H        VAL  16  -8.122   5.277   1.568
  102    HA   VAL  16           HA       VAL  16  -5.637   3.778   2.036
  103    HB   VAL  16           HB       VAL  16  -5.928   5.950  -0.041
  104   1HG1  VAL  16          1HG1      VAL  16  -3.711   6.051   0.035
  105   2HG1  VAL  16          2HG1      VAL  16  -3.630   4.350  -0.410
  106   3HG1  VAL  16          3HG1      VAL  16  -3.672   4.815   1.286
  107   1HG2  VAL  16          1HG2      VAL  16  -5.262   3.941  -1.528
  108   2HG2  VAL  16          2HG2      VAL  16  -6.955   4.183  -1.076
  109   3HG2  VAL  16          3HG2      VAL  16  -5.969   2.990  -0.218
  110    H    ASN  17           H        ASN  17  -4.725   4.558   3.814
  111    HA   ASN  17           HA       ASN  17  -5.311   7.120   4.901
  112   1HB   ASN  17          2HB       ASN  17  -3.857   4.801   5.707
  113   2HB   ASN  17          1HB       ASN  17  -2.787   6.190   5.881
  114   1HD2  ASN  17          1HD2      ASN  17  -3.567   4.806   8.081
  115   2HD2  ASN  17          2HD2      ASN  17  -4.658   5.756   9.025
  116    H    TRP  18           H        TRP  18  -3.264   6.051   2.431
  117    HA   TRP  18           HA       TRP  18  -1.833   7.046   1.024
  118   1HB   TRP  18          2HB       TRP  18  -3.071   9.483   2.280
  119   2HB   TRP  18          1HB       TRP  18  -1.839   9.602   1.017
  120    HD1  TRP  18           HD       TRP  18  -5.489   9.288   1.406
  121    HE1  TRP  18          1HE       TRP  18  -6.594   8.624  -0.816
  122    HE3  TRP  18          3HE       TRP  18  -1.329   7.900  -1.163
  123    HZ2  TRP  18          2HZ       TRP  18  -5.797   7.627  -3.331
  124    HZ3  TRP  18          3HZ       TRP  18  -1.571   7.092  -3.474
  125    HH2  TRP  18           HH       TRP  18  -3.768   6.948  -4.528
  126    H    GLY  19           H        GLY  19  -1.451   9.128   3.932
  127   1HA   GLY  19          2HA       GLY  19   1.316   9.324   3.707
  128   2HA   GLY  19          1HA       GLY  19   0.443   9.407   5.242
  129    H    GLU  20           H        GLU  20  -0.675   6.700   4.804
  130    HA   GLU  20           HA       GLU  20   1.443   5.175   6.003
  131   1HB   GLU  20          2HB       GLU  20  -1.444   4.743   5.365
  132   2HB   GLU  20          1HB       GLU  20  -0.435   3.321   5.576
  133   1HG   GLU  20          2HG       GLU  20  -1.352   3.717   7.675
  134   2HG   GLU  20          1HG       GLU  20   0.290   4.341   7.775
  135    H    ALA  21           H        ALA  21  -0.263   5.306   2.930
  136    HA   ALA  21           HA       ALA  21   1.045   3.089   1.698
  137   1HB   ALA  21          1HB       ALA  21  -1.115   4.557   1.087
  138   2HB   ALA  21          2HB       ALA  21  -0.237   3.592  -0.102
  139   3HB   ALA  21          3HB       ALA  21   0.073   5.324   0.036
  140    H    PHE  22           H        PHE  22   1.594   6.543   1.898
  141    HA   PHE  22           HA       PHE  22   3.632   6.815  -0.010
  142   1HB   PHE  22          2HB       PHE  22   2.462   8.718   1.061
  143   2HB   PHE  22          1HB       PHE  22   3.228   8.316   2.595
  144    HD1  PHE  22          1HD       PHE  22   3.522  10.099  -0.489
  145    HD2  PHE  22          2HD       PHE  22   5.758   8.441   2.730
  146    HE1  PHE  22          1HE       PHE  22   5.433  11.530  -1.083
  147    HE2  PHE  22          2HE       PHE  22   7.672   9.868   2.140
  148    HZ   PHE  22           HZ       PHE  22   7.511  11.416   0.232
  149    H    SER  23           H        SER  23   3.576   5.852   3.347
  150    HA   SER  23           HA       SER  23   6.403   5.712   3.728
  151   1HB   SER  23          2HB       SER  23   4.940   5.795   5.670
  152   2HB   SER  23          1HB       SER  23   4.126   4.314   5.167
  153    HG   SER  23           HG       SER  23   6.173   4.481   6.747
  154    H    ALA  24           H        ALA  24   3.970   3.612   2.409
  155    HA   ALA  24           HA       ALA  24   5.568   1.236   2.344
  156   1HB   ALA  24          1HB       ALA  24   3.749   0.221   1.356
  157   2HB   ALA  24          2HB       ALA  24   3.281   1.678   0.479
  158   3HB   ALA  24          3HB       ALA  24   2.963   1.551   2.208
  159    H    GLY  25           H        GLY  25   4.571   3.656  -0.056
  160   1HA   GLY  25          2HA       GLY  25   5.974   2.558  -2.236
  161   2HA   GLY  25          1HA       GLY  25   5.456   4.231  -2.094
  162    H    VAL  26           H        VAL  26   6.979   4.780   0.316
  163    HA   VAL  26           HA       VAL  26   9.417   5.588  -0.877
  164    HB   VAL  26           HB       VAL  26   8.683   5.414   2.061
  165   1HG1  VAL  26          1HG1      VAL  26  11.018   5.524   2.044
  166   2HG1  VAL  26          2HG1      VAL  26  10.514   7.206   2.217
  167   3HG1  VAL  26          3HG1      VAL  26  11.050   6.602   0.648
  168   1HG2  VAL  26          1HG2      VAL  26   8.878   8.031   0.752
  169   2HG2  VAL  26          2HG2      VAL  26   7.682   7.410   1.891
  170   3HG2  VAL  26          3HG2      VAL  26   7.557   7.013   0.176
  171    H    HIS  27           H        HIS  27   8.580   2.883   1.271
  172    HA   HIS  27           HA       HIS  27  11.218   1.992   1.708
  173   1HB   HIS  27          2HB       HIS  27   8.733   0.264   1.552
  174   2HB   HIS  27          1HB       HIS  27  10.231  -0.113   2.392
  175    HD1  HIS  27          1HD       HIS  27  10.298   2.970   3.519
  176    HD2  HIS  27          2HD       HIS  27   7.374   0.065   4.032
  177    HE1  HIS  27          1HE       HIS  27   9.060   3.622   5.594
  178    HE2  HIS  27          2HE       HIS  27   7.253   1.890   5.860
  179    H    ARG  28           H        ARG  28   8.898   1.424  -0.863
  180    HA   ARG  28           HA       ARG  28  10.455  -0.532  -2.250
  181   1HB   ARG  28          2HB       ARG  28   8.050  -0.456  -2.548
  182   2HB   ARG  28          1HB       ARG  28   8.138   1.200  -3.130
  183   1HG   ARG  28          2HG       ARG  28   7.980   0.154  -5.123
  184   2HG   ARG  28          1HG       ARG  28   9.732   0.063  -4.931
  185   1HD   ARG  28          2HD       ARG  28   8.278  -2.143  -3.672
  186   2HD   ARG  28          1HD       ARG  28   8.081  -2.061  -5.423
  187    HE   ARG  28           HE       ARG  28  10.798  -1.775  -4.821
  188   1HH1  ARG  28          1HH1      ARG  28   8.292  -4.198  -4.663
  189   2HH1  ARG  28          2HH1      ARG  28   9.387  -5.524  -4.861
  190   1HH2  ARG  28          1HH2      ARG  28  12.241  -3.522  -5.081
  191   2HH2  ARG  28          2HH2      ARG  28  11.626  -5.142  -5.098
  192    H    LEU  29           H        LEU  29   9.851   2.934  -2.682
  193    HA   LEU  29           HA       LEU  29  11.499   3.256  -4.965
  194   1HB   LEU  29          2HB       LEU  29  10.499   5.262  -2.961
  195   2HB   LEU  29          1HB       LEU  29  11.275   5.671  -4.479
  196    HG   LEU  29           HG       LEU  29   8.586   4.421  -4.047
  197   1HD1  LEU  29          1HD1      LEU  29   9.654   7.003  -4.991
  198   2HD1  LEU  29          2HD1      LEU  29   8.180   6.642  -4.094
  199   3HD1  LEU  29          3HD1      LEU  29   8.240   6.373  -5.837
  200   1HD2  LEU  29          1HD2      LEU  29  10.095   4.650  -6.640
  201   2HD2  LEU  29          2HD2      LEU  29   8.427   4.106  -6.450
  202   3HD2  LEU  29          3HD2      LEU  29   9.751   3.154  -5.777
  203    H    ALA  30           H        ALA  30  11.873   4.354  -1.678
  204    HA   ALA  30           HA       ALA  30  14.501   5.307  -1.938
  205   1HB   ALA  30          1HB       ALA  30  13.697   4.474   0.750
  206   2HB   ALA  30          2HB       ALA  30  12.546   5.519  -0.084
  207   3HB   ALA  30          3HB       ALA  30  14.211   6.051   0.150
  208    H    ASN  31           H        ASN  31  13.581   2.084  -1.961
  209    HA   ASN  31           HA       ASN  31  15.835   1.109  -0.429
  210   1HB   ASN  31          2HB       ASN  31  13.832  -0.233  -0.381
  211   2HB   ASN  31          1HB       ASN  31  13.804  -0.343  -2.140
  212   1HD2  ASN  31          1HD2      ASN  31  14.377  -2.276  -2.806
  213   2HD2  ASN  31          2HD2      ASN  31  15.591  -3.284  -2.104
  214    H    GLY  32           H        GLY  32  17.257   2.512  -1.861
  215   1HA   GLY  32          2HA       GLY  32  18.455   0.763  -3.860
  216   2HA   GLY  32          1HA       GLY  32  17.880   2.317  -4.442
  217    H    GLY  33           H        GLY  33  18.832   4.259  -3.526
  218   1HA   GLY  33          2HA       GLY  33  21.676   3.915  -3.147
  219   2HA   GLY  33          1HA       GLY  33  20.816   5.440  -3.299
  220    H    ASN  34           H        ASN  34  21.536   6.552  -1.582
  221    HA   ASN  34           HA       ASN  34  20.675   5.681   1.040
  222   1HB   ASN  34          2HB       ASN  34  22.918   6.021   2.058
  223   2HB   ASN  34          1HB       ASN  34  22.870   4.652   0.950
  224   1HD2  ASN  34          1HD2      ASN  34  25.157   6.169   1.831
  225   2HD2  ASN  34          2HD2      ASN  34  25.884   6.837   0.413
  226    H    GLY  35           H        GLY  35  19.708   7.386   1.902
  227   1HA   GLY  35          2HA       GLY  35  19.438   9.544   2.696
  228   2HA   GLY  35          1HA       GLY  35  21.002   9.955   2.007
  229    H    PHE  36           H        PHE  36  18.444  11.422   1.959
  230    HA   PHE  36           HA       PHE  36  17.478  11.283  -0.744
  231   1HB   PHE  36          2HB       PHE  36  16.817  12.811   1.697
  232   2HB   PHE  36          1HB       PHE  36  16.503  13.639   0.177
  233    HD1  PHE  36          1HD       PHE  36  14.889  12.745  -1.420
  234    HD2  PHE  36          2HD       PHE  36  15.522  10.915   2.369
  235    HE1  PHE  36          1HE       PHE  36  12.783  11.498  -1.675
  236    HE2  PHE  36          2HE       PHE  36  13.418   9.665   2.121
  237    HZ   PHE  36           HZ       PHE  36  12.046   9.954   0.096
  238    H    TRP  37           H        TRP  37  19.484  13.550   1.118
  239    HA   TRP  37           HA       TRP  37  19.924  15.283  -1.124
  240   1HB   TRP  37          2HB       TRP  37  21.465  15.113   1.476
  241   2HB   TRP  37          1HB       TRP  37  21.498  16.448   0.330
  242    HD1  TRP  37           HD       TRP  37  19.633  15.161   3.307
  243    HE1  TRP  37          1HE       TRP  37  17.668  16.730   3.855
  244    HE3  TRP  37          3HE       TRP  37  19.673  18.026  -0.929
  245    HZ2  TRP  37          2HZ       TRP  37  16.315  18.895   2.654
  246    HZ3  TRP  37          3HZ       TRP  37  18.009  19.825  -1.150
  247    HH2  TRP  37           HH       TRP  37  16.366  20.250   0.605
  Start of MODEL   12
    1    HA   LYS   1           HA       LYS   1  -7.084  -5.857   7.922
    2   1HB   LYS   1          2HB       LYS   1  -7.486  -6.818   5.617
    3   2HB   LYS   1          1HB       LYS   1  -8.800  -7.045   6.767
    4   1HG   LYS   1          2HG       LYS   1  -9.656  -4.796   5.661
    5   2HG   LYS   1          1HG       LYS   1  -8.663  -5.376   4.321
    6   1HD   LYS   1          2HD       LYS   1 -10.026  -7.638   5.072
    7   2HD   LYS   1          1HD       LYS   1 -11.226  -6.372   5.322
    8   1HE   LYS   1          2HE       LYS   1 -10.054  -5.752   2.877
    9   2HE   LYS   1          1HE       LYS   1 -10.209  -7.508   2.859
   10   1HZ   LYS   1          1HZ       LYS   1 -12.164  -6.129   2.021
   11   2HZ   LYS   1          2HZ       LYS   1 -12.473  -5.784   3.647
   12   3HZ   LYS   1          3HZ       LYS   1 -12.502  -7.385   3.103
   13    H    TYR   2           H        TYR   2  -5.145  -4.864   7.704
   14    HA   TYR   2           HA       TYR   2  -4.775  -2.800   5.728
   15   1HB   TYR   2          2HB       TYR   2  -3.583  -3.389   8.147
   16   2HB   TYR   2          1HB       TYR   2  -2.339  -3.800   6.968
   17    HD1  TYR   2          1HD       TYR   2  -0.980  -2.103   6.140
   18    HD2  TYR   2          2HD       TYR   2  -4.752  -1.162   7.821
   19    HE1  TYR   2          1HE       TYR   2  -0.479   0.280   5.898
   20    HE2  TYR   2          2HE       TYR   2  -4.260   1.233   7.606
   21    HH   TYR   2           HH       TYR   2  -2.732   2.664   6.076
   22    H    TYR   3           H        TYR   3  -3.449  -2.918   3.916
   23    HA   TYR   3           HA       TYR   3  -2.888  -5.664   2.993
   24   1HB   TYR   3          2HB       TYR   3  -3.841  -3.187   1.675
   25   2HB   TYR   3          1HB       TYR   3  -2.749  -4.200   0.731
   26    HD1  TYR   3          1HD       TYR   3  -6.113  -3.657   1.663
   27    HD2  TYR   3          2HD       TYR   3  -3.356  -6.723   0.638
   28    HE1  TYR   3          1HE       TYR   3  -7.988  -5.128   1.058
   29    HE2  TYR   3          2HE       TYR   3  -5.221  -8.209   0.033
   30    HH   TYR   3           HH       TYR   3  -8.366  -7.662   0.911
   31    H    GLY   4           H        GLY   4  -1.055  -4.161   4.700
   32   1HA   GLY   4          2HA       GLY   4   1.148  -3.500   4.807
   33   2HA   GLY   4          1HA       GLY   4   1.386  -4.751   3.594
   34    H    ASN   5           H        ASN   5  -0.671  -2.132   2.738
   35    HA   ASN   5           HA       ASN   5   1.449  -0.564   1.517
   36   1HB   ASN   5          2HB       ASN   5  -0.318  -2.384   0.026
   37   2HB   ASN   5          1HB       ASN   5  -0.311  -0.737  -0.594
   38   1HD2  ASN   5          1HD2      ASN   5   0.782  -3.306  -1.633
   39   2HD2  ASN   5          2HD2      ASN   5   2.439  -2.970  -1.988
   40    H    GLY   6           H        GLY   6  -0.075   0.187   3.630
   41   1HA   GLY   6          2HA       GLY   6  -1.659   1.688   4.387
   42   2HA   GLY   6          1HA       GLY   6  -1.091   2.640   3.030
   43    H    VAL   7           H        VAL   7  -3.012  -0.345   3.224
   44    HA   VAL   7           HA       VAL   7  -5.327   1.042   2.104
   45    HB   VAL   7           HB       VAL   7  -3.911  -1.204   0.685
   46   1HG1  VAL   7          1HG1      VAL   7  -6.765  -0.383   0.674
   47   2HG1  VAL   7          2HG1      VAL   7  -6.062  -1.998   0.549
   48   3HG1  VAL   7          3HG1      VAL   7  -6.028  -0.909  -0.840
   49   1HG2  VAL   7          1HG2      VAL   7  -4.807   0.670  -1.121
   50   2HG2  VAL   7          2HG2      VAL   7  -3.162   0.544  -0.490
   51   3HG2  VAL   7          3HG2      VAL   7  -4.319   1.640   0.265
   52    H    HIS   8           H        HIS   8  -6.862   0.539   3.474
   53    HA   HIS   8           HA       HIS   8  -7.131  -2.267   4.291
   54   1HB   HIS   8          2HB       HIS   8  -8.463  -0.875   6.253
   55   2HB   HIS   8          1HB       HIS   8  -6.838  -1.533   6.399
   56    HD1  HIS   8          1HD       HIS   8  -8.515   1.426   7.121
   57    HD2  HIS   8          2HD       HIS   8  -4.953   0.567   5.164
   58    HE1  HIS   8          1HE       HIS   8  -7.198   3.562   7.182
   59    HE2  HIS   8          2HE       HIS   8  -5.017   3.014   6.039
   60    H    CYS   9           H        CYS   9  -9.033  -3.198   3.787
   61    HA   CYS   9           HA       CYS   9 -11.176  -1.418   2.887
   62   1HB   CYS   9          2HB       CYS   9 -10.078  -3.492   1.526
   63   2HB   CYS   9          1HB       CYS   9 -11.435  -4.296   2.309
   64    H    THR  10           H        THR  10 -12.238  -0.948   4.714
   65    HA   THR  10           HA       THR  10 -12.919  -3.052   6.601
   66    HB   THR  10           HB       THR  10 -13.618  -1.280   8.065
   67    HG1  THR  10          1HG       THR  10 -13.574   0.258   5.707
   68   1HG2  THR  10          1HG2      THR  10 -11.283  -0.027   6.681
   69   2HG2  THR  10          2HG2      THR  10 -11.110  -1.533   7.583
   70   3HG2  THR  10          3HG2      THR  10 -11.669  -0.075   8.402
   71    H    LYS  11           H        LYS  11 -15.260  -2.257   7.651
   72    HA   LYS  11           HA       LYS  11 -17.156  -3.423   5.969
   73   1HB   LYS  11          2HB       LYS  11 -18.691  -3.104   7.687
   74   2HB   LYS  11          1HB       LYS  11 -17.151  -3.145   8.533
   75   1HG   LYS  11          2HG       LYS  11 -18.631  -0.635   7.772
   76   2HG   LYS  11          1HG       LYS  11 -18.668  -1.394   9.363
   77   1HD   LYS  11          2HD       LYS  11 -16.373  -0.953   9.733
   78   2HD   LYS  11          1HD       LYS  11 -16.108  -0.528   8.041
   79   1HE   LYS  11          2HE       LYS  11 -16.161   1.483   9.363
   80   2HE   LYS  11          1HE       LYS  11 -17.592   1.424   8.335
   81   1HZ   LYS  11          1HZ       LYS  11 -17.390   1.382  11.211
   82   2HZ   LYS  11          2HZ       LYS  11 -18.452   0.224  10.586
   83   3HZ   LYS  11          3HZ       LYS  11 -18.678   1.860  10.224
   84    H    SER  12           H        SER  12 -15.974  -0.222   6.017
   85    HA   SER  12           HA       SER  12 -18.334   0.860   4.688
   86   1HB   SER  12          2HB       SER  12 -16.680   2.944   4.660
   87   2HB   SER  12          1HB       SER  12 -17.579   2.504   6.112
   88    HG   SER  12           HG       SER  12 -14.915   1.726   5.507
   89    H    GLY  13           H        GLY  13 -15.225  -0.421   3.971
   90   1HA   GLY  13          2HA       GLY  13 -15.250  -1.085   1.483
   91   2HA   GLY  13          1HA       GLY  13 -15.309   0.654   1.233
   92    H    CYS  14           H        CYS  14 -13.300   0.319   0.032
   93    HA   CYS  14           HA       CYS  14 -10.948  -0.302   1.636
   94   1HB   CYS  14          2HB       CYS  14 -11.301   0.260  -1.294
   95   2HB   CYS  14          1HB       CYS  14  -9.736   0.046  -0.529
   96    H    SER  15           H        SER  15  -9.524   1.103   2.360
   97    HA   SER  15           HA       SER  15  -9.759   3.902   1.506
   98   1HB   SER  15          2HB       SER  15  -9.964   2.820   4.296
   99   2HB   SER  15          1HB       SER  15  -9.278   4.421   4.029
  100    HG   SER  15           HG       SER  15 -11.849   3.679   4.041
  101    H    VAL  16           H        VAL  16  -7.847   5.204   2.446
  102    HA   VAL  16           HA       VAL  16  -5.434   3.560   2.634
  103    HB   VAL  16           HB       VAL  16  -5.697   5.883   0.728
  104   1HG1  VAL  16          1HG1      VAL  16  -3.475   5.965   0.770
  105   2HG1  VAL  16          2HG1      VAL  16  -3.410   4.291   0.229
  106   3HG1  VAL  16          3HG1      VAL  16  -3.429   4.659   1.951
  107   1HG2  VAL  16          1HG2      VAL  16  -6.701   4.265  -0.496
  108   2HG2  VAL  16          2HG2      VAL  16  -5.894   2.959   0.383
  109   3HG2  VAL  16          3HG2      VAL  16  -5.015   3.877  -0.850
  110    H    ASN  17           H        ASN  17  -4.215   4.208   4.287
  111    HA   ASN  17           HA       ASN  17  -4.760   6.609   5.724
  112   1HB   ASN  17          2HB       ASN  17  -3.818   4.463   6.699
  113   2HB   ASN  17          1HB       ASN  17  -2.284   4.900   5.954
  114   1HD2  ASN  17          1HD2      ASN  17  -1.466   7.103   6.529
  115   2HD2  ASN  17          2HD2      ASN  17  -1.667   7.619   8.165
  116    H    TRP  18           H        TRP  18  -2.851   5.788   3.052
  117    HA   TRP  18           HA       TRP  18  -1.524   6.915   1.644
  118   1HB   TRP  18          2HB       TRP  18  -2.720   9.225   3.158
  119   2HB   TRP  18          1HB       TRP  18  -1.561   9.467   1.845
  120    HD1  TRP  18           HD       TRP  18  -5.177   9.084   2.394
  121    HE1  TRP  18          1HE       TRP  18  -6.392   8.554   0.193
  122    HE3  TRP  18          3HE       TRP  18  -1.147   7.913  -0.469
  123    HZ2  TRP  18          2HZ       TRP  18  -5.720   7.731  -2.418
  124    HZ3  TRP  18          3HZ       TRP  18  -1.503   7.255  -2.813
  125    HH2  TRP  18           HH       TRP  18  -3.752   7.153  -3.756
  126    H    GLY  19           H        GLY  19  -1.035   8.563   4.805
  127   1HA   GLY  19          2HA       GLY  19   1.713   8.934   4.393
  128   2HA   GLY  19          1HA       GLY  19   0.941   8.836   5.980
  129    H    GLU  20           H        GLU  20  -0.121   6.165   5.457
  130    HA   GLU  20           HA       GLU  20   2.152   4.621   6.295
  131   1HB   GLU  20          2HB       GLU  20  -0.663   4.408   6.496
  132   2HB   GLU  20          1HB       GLU  20  -0.128   2.998   5.590
  133   1HG   GLU  20          2HG       GLU  20   1.349   3.705   8.062
  134   2HG   GLU  20          1HG       GLU  20  -0.263   3.014   8.225
  135    H    ALA  21           H        ALA  21   0.064   4.811   3.450
  136    HA   ALA  21           HA       ALA  21   1.332   2.734   1.968
  137   1HB   ALA  21          1HB       ALA  21  -0.126   5.077   0.795
  138   2HB   ALA  21          2HB       ALA  21  -0.984   3.774   1.613
  139   3HB   ALA  21          3HB       ALA  21  -0.023   3.429   0.175
  140    H    PHE  22           H        PHE  22   1.670   6.214   2.194
  141    HA   PHE  22           HA       PHE  22   3.427   6.676   0.072
  142   1HB   PHE  22          2HB       PHE  22   2.370   8.515   1.236
  143   2HB   PHE  22          1HB       PHE  22   3.133   8.042   2.757
  144    HD1  PHE  22          1HD       PHE  22   5.047   9.113   3.406
  145    HD2  PHE  22          2HD       PHE  22   4.047   9.023  -0.716
  146    HE1  PHE  22          1HE       PHE  22   6.954  10.590   2.915
  147    HE2  PHE  22          2HE       PHE  22   5.939  10.506  -1.218
  148    HZ   PHE  22           HZ       PHE  22   7.401  11.285   0.598
  149    H    SER  23           H        SER  23   3.894   5.613   3.359
  150    HA   SER  23           HA       SER  23   6.756   5.692   3.306
  151   1HB   SER  23          2HB       SER  23   6.692   4.647   5.423
  152   2HB   SER  23          1HB       SER  23   5.208   5.595   5.386
  153    HG   SER  23           HG       SER  23   4.337   3.739   5.878
  154    H    ALA  24           H        ALA  24   4.293   3.460   2.325
  155    HA   ALA  24           HA       ALA  24   6.000   1.180   2.004
  156   1HB   ALA  24          1HB       ALA  24   3.410   1.291   2.253
  157   2HB   ALA  24          2HB       ALA  24   4.128   0.078   1.193
  158   3HB   ALA  24          3HB       ALA  24   3.437   1.551   0.508
  159    H    GLY  25           H        GLY  25   4.582   3.616  -0.142
  160   1HA   GLY  25          2HA       GLY  25   5.651   2.678  -2.562
  161   2HA   GLY  25          1HA       GLY  25   5.182   4.344  -2.238
  162    H    VAL  26           H        VAL  26   6.927   5.083  -0.261
  163    HA   VAL  26           HA       VAL  26   9.253   5.760  -1.680
  164    HB   VAL  26           HB       VAL  26   8.834   5.646   1.319
  165   1HG1  VAL  26          1HG1      VAL  26  10.978   6.920  -0.361
  166   2HG1  VAL  26          2HG1      VAL  26  11.165   5.784   0.977
  167   3HG1  VAL  26          3HG1      VAL  26  10.627   7.435   1.289
  168   1HG2  VAL  26          1HG2      VAL  26   7.252   7.042  -0.004
  169   2HG2  VAL  26          2HG2      VAL  26   8.635   8.014  -0.519
  170   3HG2  VAL  26          3HG2      VAL  26   8.208   7.918   1.194
  171    H    HIS  27           H        HIS  27   8.689   3.170   0.703
  172    HA   HIS  27           HA       HIS  27  11.334   2.289   0.920
  173   1HB   HIS  27          2HB       HIS  27   8.725   0.778   1.169
  174   2HB   HIS  27          1HB       HIS  27  10.291   0.074   1.560
  175    HD1  HIS  27          1HD       HIS  27  10.000   3.595   2.461
  176    HD2  HIS  27          2HD       HIS  27   9.212  -0.071   4.245
  177    HE1  HIS  27          1HE       HIS  27   9.735   4.082   4.897
  178    HE2  HIS  27          2HE       HIS  27   9.221   1.860   5.967
  179    H    ARG  28           H        ARG  28   8.882   1.671  -1.495
  180    HA   ARG  28           HA       ARG  28  10.485  -0.318  -2.854
  181   1HB   ARG  28          2HB       ARG  28   7.937   1.045  -3.755
  182   2HB   ARG  28          1HB       ARG  28   8.665  -0.383  -4.479
  183   1HG   ARG  28          2HG       ARG  28   8.260  -1.649  -2.447
  184   2HG   ARG  28          1HG       ARG  28   7.589  -0.213  -1.671
  185   1HD   ARG  28          2HD       ARG  28   5.676  -1.285  -2.368
  186   2HD   ARG  28          1HD       ARG  28   5.982  -0.201  -3.724
  187    HE   ARG  28           HE       ARG  28   7.273  -2.492  -4.413
  188   1HH1  ARG  28          1HH1      ARG  28   4.002  -1.747  -3.453
  189   2HH1  ARG  28          2HH1      ARG  28   3.304  -3.031  -4.380
  190   1HH2  ARG  28          1HH2      ARG  28   6.355  -4.183  -5.634
  191   2HH2  ARG  28          2HH2      ARG  28   4.639  -4.414  -5.618
  192    H    LEU  29           H        LEU  29   9.485   3.031  -3.355
  193    HA   LEU  29           HA       LEU  29  10.779   3.346  -5.867
  194   1HB   LEU  29          2HB       LEU  29   8.872   4.671  -5.410
  195   2HB   LEU  29          1HB       LEU  29   9.558   5.270  -3.914
  196    HG   LEU  29           HG       LEU  29  11.161   6.616  -5.121
  197   1HD1  LEU  29          1HD1      LEU  29  11.408   4.949  -7.005
  198   2HD1  LEU  29          2HD1      LEU  29  11.385   6.650  -7.470
  199   3HD1  LEU  29          3HD1      LEU  29   9.948   5.655  -7.697
  200   1HD2  LEU  29          1HD2      LEU  29   8.604   7.223  -4.878
  201   2HD2  LEU  29          2HD2      LEU  29   8.664   7.158  -6.640
  202   3HD2  LEU  29          3HD2      LEU  29   9.718   8.266  -5.763
  203    H    ALA  30           H        ALA  30  11.481   4.742  -2.678
  204    HA   ALA  30           HA       ALA  30  13.897   5.959  -3.477
  205   1HB   ALA  30          1HB       ALA  30  13.117   6.998  -1.639
  206   2HB   ALA  30          2HB       ALA  30  14.169   5.844  -0.818
  207   3HB   ALA  30          3HB       ALA  30  12.440   5.520  -0.959
  208    H    ASN  31           H        ASN  31  13.200   2.739  -2.323
  209    HA   ASN  31           HA       ASN  31  15.970   2.213  -1.679
  210   1HB   ASN  31          2HB       ASN  31  13.654   1.125  -0.786
  211   2HB   ASN  31          1HB       ASN  31  14.139  -0.082  -1.975
  212   1HD2  ASN  31          1HD2      ASN  31  14.456   0.940   1.173
  213   2HD2  ASN  31          2HD2      ASN  31  15.860   0.035   1.613
  214    H    GLY  32           H        GLY  32  13.678   1.322  -4.232
  215   1HA   GLY  32          2HA       GLY  32  14.006   0.337  -6.289
  216   2HA   GLY  32          1HA       GLY  32  15.481   1.290  -6.315
  217    H    GLY  33           H        GLY  33  14.166  -1.769  -5.040
  218   1HA   GLY  33          2HA       GLY  33  16.802  -2.895  -4.754
  219   2HA   GLY  33          1HA       GLY  33  15.275  -3.718  -4.479
  220    H    ASN  34           H        ASN  34  15.643  -5.542  -5.606
  221    HA   ASN  34           HA       ASN  34  16.481  -5.327  -8.399
  222   1HB   ASN  34          2HB       ASN  34  16.448  -7.559  -6.402
  223   2HB   ASN  34          1HB       ASN  34  16.463  -7.935  -8.122
  224   1HD2  ASN  34          1HD2      ASN  34  18.413  -7.883  -5.657
  225   2HD2  ASN  34          2HD2      ASN  34  19.877  -7.308  -6.371
  226    H    GLY  35           H        GLY  35  14.168  -7.426  -6.678
  227   1HA   GLY  35          2HA       GLY  35  12.507  -7.562  -9.052
  228   2HA   GLY  35          1HA       GLY  35  12.254  -8.431  -7.546
  229    H    PHE  36           H        PHE  36  10.886  -6.231  -9.489
  230    HA   PHE  36           HA       PHE  36   9.985  -4.300  -7.554
  231   1HB   PHE  36          2HB       PHE  36   8.845  -4.850 -10.304
  232   2HB   PHE  36          1HB       PHE  36   8.656  -3.384  -9.348
  233    HD1  PHE  36          1HD       PHE  36  10.435  -4.879 -11.961
  234    HD2  PHE  36          2HD       PHE  36  10.923  -2.222  -8.673
  235    HE1  PHE  36          1HE       PHE  36  12.439  -3.932 -13.029
  236    HE2  PHE  36          2HE       PHE  36  12.927  -1.268  -9.735
  237    HZ   PHE  36           HZ       PHE  36  13.687  -2.124 -11.916
  238    H    TRP  37           H        TRP  37   9.377  -6.487  -6.281
  239    HA   TRP  37           HA       TRP  37   6.537  -6.429  -6.067
  240   1HB   TRP  37          2HB       TRP  37   6.664  -7.969  -7.957
  241   2HB   TRP  37          1HB       TRP  37   7.806  -8.985  -7.082
  242    HD1  TRP  37           HD       TRP  37   6.768 -10.975  -5.858
  243    HE1  TRP  37          1HE       TRP  37   4.408 -11.625  -5.061
  244    HE3  TRP  37          3HE       TRP  37   4.290  -6.669  -7.063
  245    HZ2  TRP  37          2HZ       TRP  37   1.837 -10.465  -4.958
  246    HZ3  TRP  37          3HZ       TRP  37   1.882  -6.520  -6.581
  247    HH2  TRP  37           HH       TRP  37   0.682  -8.379  -5.551
  Start of MODEL   13
    1    HA   LYS   1           HA       LYS   1  -7.456  -5.385   8.437
    2   1HB   LYS   1          2HB       LYS   1  -8.476  -7.300   7.515
    3   2HB   LYS   1          1HB       LYS   1  -8.850  -6.470   6.004
    4   1HG   LYS   1          2HG       LYS   1  -6.734  -6.717   5.167
    5   2HG   LYS   1          1HG       LYS   1  -5.999  -6.873   6.760
    6   1HD   LYS   1          2HD       LYS   1  -6.711  -9.103   6.996
    7   2HD   LYS   1          1HD       LYS   1  -7.883  -8.955   5.687
    8   1HE   LYS   1          2HE       LYS   1  -5.302  -8.353   4.652
    9   2HE   LYS   1          1HE       LYS   1  -5.193  -9.854   5.568
   10   1HZ   LYS   1          1HZ       LYS   1  -5.770 -10.152   3.193
   11   2HZ   LYS   1          2HZ       LYS   1  -7.229  -9.343   3.469
   12   3HZ   LYS   1          3HZ       LYS   1  -6.915 -10.810   4.250
   13    H    TYR   2           H        TYR   2  -5.359  -5.195   7.542
   14    HA   TYR   2           HA       TYR   2  -5.085  -3.014   5.638
   15   1HB   TYR   2          2HB       TYR   2  -3.589  -3.827   7.851
   16   2HB   TYR   2          1HB       TYR   2  -2.585  -4.221   6.453
   17    HD1  TYR   2          1HD       TYR   2  -1.317  -2.529   5.450
   18    HD2  TYR   2          2HD       TYR   2  -4.660  -1.540   7.851
   19    HE1  TYR   2          1HE       TYR   2  -0.764  -0.160   5.211
   20    HE2  TYR   2          2HE       TYR   2  -4.111   0.842   7.654
   21    HH   TYR   2           HH       TYR   2  -2.887   2.313   6.102
   22    H    TYR   3           H        TYR   3  -3.175  -3.427   3.989
   23    HA   TYR   3           HA       TYR   3  -3.368  -6.181   2.971
   24   1HB   TYR   3          2HB       TYR   3  -4.156  -3.667   1.602
   25   2HB   TYR   3          1HB       TYR   3  -3.307  -4.867   0.627
   26    HD1  TYR   3          1HD       TYR   3  -4.235  -7.211   0.531
   27    HD2  TYR   3          2HD       TYR   3  -6.445  -3.954   2.148
   28    HE1  TYR   3          1HE       TYR   3  -6.304  -8.517   0.313
   29    HE2  TYR   3          2HE       TYR   3  -8.521  -5.250   1.927
   30    HH   TYR   3           HH       TYR   3  -8.794  -7.986   0.079
   31    H    GLY   4           H        GLY   4  -1.534  -3.207   3.186
   32   1HA   GLY   4          2HA       GLY   4   0.917  -3.853   3.579
   33   2HA   GLY   4          1HA       GLY   4   0.777  -4.562   1.970
   34    H    ASN   5           H        ASN   5  -0.924  -2.549   0.901
   35    HA   ASN   5           HA       ASN   5   1.051  -0.407   0.522
   36   1HB   ASN   5          2HB       ASN   5  -1.176  -1.532  -1.161
   37   2HB   ASN   5          1HB       ASN   5  -0.554   0.087  -1.480
   38   1HD2  ASN   5          1HD2      ASN   5   1.752   0.283  -1.885
   39   2HD2  ASN   5          2HD2      ASN   5   2.583  -1.012  -2.671
   40    H    GLY   6           H        GLY   6  -0.208  -0.166   2.896
   41   1HA   GLY   6          2HA       GLY   6  -1.529   1.227   4.165
   42   2HA   GLY   6          1HA       GLY   6  -1.360   2.365   2.841
   43    H    VAL   7           H        VAL   7  -2.803  -0.678   2.127
   44    HA   VAL   7           HA       VAL   7  -5.391   0.692   1.814
   45    HB   VAL   7           HB       VAL   7  -4.273  -1.726   0.415
   46   1HG1  VAL   7          1HG1      VAL   7  -7.076  -0.752   0.713
   47   2HG1  VAL   7          2HG1      VAL   7  -6.462  -2.407   0.804
   48   3HG1  VAL   7          3HG1      VAL   7  -6.577  -1.588  -0.758
   49   1HG2  VAL   7          1HG2      VAL   7  -5.546   0.154  -1.273
   50   2HG2  VAL   7          2HG2      VAL   7  -3.830  -0.253  -1.190
   51   3HG2  VAL   7          3HG2      VAL   7  -4.482   1.047  -0.189
   52    H    HIS   8           H        HIS   8  -7.030   0.218   3.066
   53    HA   HIS   8           HA       HIS   8  -7.236  -2.468   4.171
   54   1HB   HIS   8          2HB       HIS   8  -8.242  -0.957   6.244
   55   2HB   HIS   8          1HB       HIS   8  -6.673  -1.757   6.221
   56    HD1  HIS   8          1HD       HIS   8  -7.992   1.344   7.079
   57    HD2  HIS   8          2HD       HIS   8  -4.750   0.121   4.797
   58    HE1  HIS   8          1HE       HIS   8  -6.478   3.342   6.970
   59    HE2  HIS   8          2HE       HIS   8  -4.613   2.645   5.425
   60    H    CYS   9           H        CYS   9  -9.241  -3.267   4.071
   61    HA   CYS   9           HA       CYS   9 -11.344  -1.405   3.251
   62   1HB   CYS   9          2HB       CYS   9 -11.359  -4.406   2.960
   63   2HB   CYS   9          1HB       CYS   9 -12.495  -3.257   2.263
   64    H    THR  10           H        THR  10 -12.348  -0.714   5.013
   65    HA   THR  10           HA       THR  10 -12.870  -2.572   7.203
   66    HB   THR  10           HB       THR  10 -13.337  -0.625   8.543
   67    HG1  THR  10          1HG       THR  10 -13.364   0.694   6.054
   68   1HG2  THR  10          1HG2      THR  10 -11.030   0.239   6.838
   69   2HG2  THR  10          2HG2      THR  10 -10.916  -1.115   7.963
   70   3HG2  THR  10          3HG2      THR  10 -11.289   0.501   8.564
   71    H    LYS  11           H        LYS  11 -15.060  -1.486   8.360
   72    HA   LYS  11           HA       LYS  11 -17.153  -2.728   6.989
   73   1HB   LYS  11          2HB       LYS  11 -18.551  -1.979   8.753
   74   2HB   LYS  11          1HB       LYS  11 -16.969  -2.290   9.458
   75   1HG   LYS  11          2HG       LYS  11 -16.472   0.076   9.477
   76   2HG   LYS  11          1HG       LYS  11 -18.004   0.426   8.675
   77   1HD   LYS  11          2HD       LYS  11 -18.592  -1.143  10.952
   78   2HD   LYS  11          1HD       LYS  11 -17.465   0.116  11.463
   79   1HE   LYS  11          2HE       LYS  11 -20.019   0.580   9.928
   80   2HE   LYS  11          1HE       LYS  11 -19.820   0.813  11.665
   81   1HZ   LYS  11          1HZ       LYS  11 -19.614   2.902  10.501
   82   2HZ   LYS  11          2HZ       LYS  11 -18.378   2.285   9.525
   83   3HZ   LYS  11          3HZ       LYS  11 -18.123   2.486  11.185
   84    H    SER  12           H        SER  12 -15.803   0.380   6.558
   85    HA   SER  12           HA       SER  12 -18.219   1.479   5.364
   86   1HB   SER  12          2HB       SER  12 -15.848   2.573   6.536
   87   2HB   SER  12          1HB       SER  12 -16.014   3.190   4.895
   88    HG   SER  12           HG       SER  12 -17.856   3.376   7.035
   89    H    GLY  13           H        GLY  13 -15.245  -0.037   4.476
   90   1HA   GLY  13          2HA       GLY  13 -15.625  -1.042   2.117
   91   2HA   GLY  13          1HA       GLY  13 -15.615   0.652   1.644
   92    H    CYS  14           H        CYS  14 -13.758   0.047   0.299
   93    HA   CYS  14           HA       CYS  14 -11.308  -0.508   1.775
   94   1HB   CYS  14          2HB       CYS  14 -11.799  -0.321  -1.192
   95   2HB   CYS  14          1HB       CYS  14 -10.250  -0.688  -0.443
   96    H    SER  15           H        SER  15  -9.875   0.928   2.301
   97    HA   SER  15           HA       SER  15  -9.889   3.528   0.927
   98   1HB   SER  15          2HB       SER  15  -9.891   3.184   3.937
   99   2HB   SER  15          1HB       SER  15  -9.700   4.714   3.083
  100    HG   SER  15           HG       SER  15 -11.800   4.762   3.243
  101    H    VAL  16           H        VAL  16  -7.955   4.875   2.052
  102    HA   VAL  16           HA       VAL  16  -5.642   3.119   2.388
  103    HB   VAL  16           HB       VAL  16  -5.695   5.411   0.427
  104   1HG1  VAL  16          1HG1      VAL  16  -3.501   5.376   1.046
  105   2HG1  VAL  16          2HG1      VAL  16  -3.459   4.112  -0.181
  106   3HG1  VAL  16          3HG1      VAL  16  -3.549   3.685   1.529
  107   1HG2  VAL  16          1HG2      VAL  16  -5.032   3.343  -1.075
  108   2HG2  VAL  16          2HG2      VAL  16  -6.711   3.835  -0.828
  109   3HG2  VAL  16          3HG2      VAL  16  -6.028   2.499   0.116
  110    H    ASN  17           H        ASN  17  -4.314   3.817   3.976
  111    HA   ASN  17           HA       ASN  17  -4.943   6.173   5.450
  112   1HB   ASN  17          2HB       ASN  17  -3.146   3.911   5.733
  113   2HB   ASN  17          1HB       ASN  17  -2.371   5.415   6.225
  114   1HD2  ASN  17          1HD2      ASN  17  -3.307   3.070   7.780
  115   2HD2  ASN  17          2HD2      ASN  17  -4.360   3.718   8.987
  116    H    TRP  18           H        TRP  18  -2.941   5.447   2.792
  117    HA   TRP  18           HA       TRP  18  -1.669   6.672   1.405
  118   1HB   TRP  18          2HB       TRP  18  -2.991   8.901   2.934
  119   2HB   TRP  18          1HB       TRP  18  -1.846   9.206   1.620
  120    HD1  TRP  18           HD       TRP  18  -5.437   8.649   2.157
  121    HE1  TRP  18          1HE       TRP  18  -6.617   8.053  -0.046
  122    HE3  TRP  18          3HE       TRP  18  -1.348   7.633  -0.667
  123    HZ2  TRP  18          2HZ       TRP  18  -5.888   7.239  -2.648
  124    HZ3  TRP  18          3HZ       TRP  18  -1.655   6.941  -3.006
  125    HH2  TRP  18           HH       TRP  18  -3.886   6.729  -3.961
  126    H    GLY  19           H        GLY  19  -1.294   8.236   4.627
  127   1HA   GLY  19          2HA       GLY  19   1.450   8.740   4.226
  128   2HA   GLY  19          1HA       GLY  19   0.666   8.610   5.805
  129    H    GLU  20           H        GLU  20  -0.301   5.882   5.130
  130    HA   GLU  20           HA       GLU  20   1.986   4.405   6.060
  131   1HB   GLU  20          2HB       GLU  20  -0.901   3.928   5.712
  132   2HB   GLU  20          1HB       GLU  20   0.100   2.517   5.381
  133   1HG   GLU  20          2HG       GLU  20   0.539   4.090   7.879
  134   2HG   GLU  20          1HG       GLU  20  -0.803   2.951   7.780
  135    H    ALA  21           H        ALA  21   0.065   4.656   3.113
  136    HA   ALA  21           HA       ALA  21   1.508   2.705   1.621
  137   1HB   ALA  21          1HB       ALA  21  -0.070   5.044   0.578
  138   2HB   ALA  21          2HB       ALA  21  -0.807   3.544   1.145
  139   3HB   ALA  21          3HB       ALA  21   0.273   3.525  -0.252
  140    H    PHE  22           H        PHE  22   1.763   6.160   2.163
  141    HA   PHE  22           HA       PHE  22   3.641   6.803   0.166
  142   1HB   PHE  22          2HB       PHE  22   2.385   8.468   1.577
  143   2HB   PHE  22          1HB       PHE  22   3.404   8.013   2.939
  144    HD1  PHE  22          1HD       PHE  22   5.892   8.404   2.765
  145    HD2  PHE  22          2HD       PHE  22   3.103  10.046   0.001
  146    HE1  PHE  22          1HE       PHE  22   7.577  10.047   2.045
  147    HE2  PHE  22          2HE       PHE  22   4.784  11.692  -0.723
  148    HZ   PHE  22           HZ       PHE  22   7.025  11.692   0.299
  149    H    SER  23           H        SER  23   3.843   5.504   3.391
  150    HA   SER  23           HA       SER  23   6.685   5.549   3.641
  151   1HB   SER  23          2HB       SER  23   4.698   5.104   5.413
  152   2HB   SER  23          1HB       SER  23   5.141   3.436   5.058
  153    HG   SER  23           HG       SER  23   6.876   3.698   6.198
  154    H    ALA  24           H        ALA  24   4.367   3.402   2.204
  155    HA   ALA  24           HA       ALA  24   6.156   1.181   1.891
  156   1HB   ALA  24          1HB       ALA  24   3.537   1.248   1.911
  157   2HB   ALA  24          2HB       ALA  24   4.388   0.083   0.896
  158   3HB   ALA  24          3HB       ALA  24   3.736   1.560   0.185
  159    H    GLY  25           H        GLY  25   4.839   3.695  -0.236
  160   1HA   GLY  25          2HA       GLY  25   6.203   2.907  -2.570
  161   2HA   GLY  25          1HA       GLY  25   5.562   4.513  -2.255
  162    H    VAL  26           H        VAL  26   7.143   5.002   0.108
  163    HA   VAL  26           HA       VAL  26   9.472   6.068  -1.117
  164    HB   VAL  26           HB       VAL  26   8.881   5.708   1.835
  165   1HG1  VAL  26          1HG1      VAL  26  10.546   7.570   2.078
  166   2HG1  VAL  26          2HG1      VAL  26  10.969   7.324   0.384
  167   3HG1  VAL  26          3HG1      VAL  26  11.229   6.030   1.553
  168   1HG2  VAL  26          1HG2      VAL  26   8.735   8.389   0.676
  169   2HG2  VAL  26          2HG2      VAL  26   7.641   7.570   1.790
  170   3HG2  VAL  26          3HG2      VAL  26   7.517   7.273   0.057
  171    H    HIS  27           H        HIS  27   8.866   3.187   0.849
  172    HA   HIS  27           HA       HIS  27  11.565   2.477   1.243
  173   1HB   HIS  27          2HB       HIS  27   9.123   0.692   1.036
  174   2HB   HIS  27          1HB       HIS  27  10.692   0.195   1.655
  175    HD1  HIS  27          1HD       HIS  27  10.335   3.455   2.873
  176    HD2  HIS  27          2HD       HIS  27   8.626  -0.190   3.892
  177    HE1  HIS  27          1HE       HIS  27   9.489   3.740   5.208
  178    HE2  HIS  27          2HE       HIS  27   8.558   1.493   5.854
  179    H    ARG  28           H        ARG  28   9.239   1.715  -1.297
  180    HA   ARG  28           HA       ARG  28  11.013   0.078  -2.818
  181   1HB   ARG  28          2HB       ARG  28   8.496   1.503  -3.696
  182   2HB   ARG  28          1HB       ARG  28   9.290   0.185  -4.545
  183   1HG   ARG  28          2HG       ARG  28   8.628  -1.393  -2.974
  184   2HG   ARG  28          1HG       ARG  28   8.313  -0.172  -1.740
  185   1HD   ARG  28          2HD       ARG  28   6.173  -0.695  -2.389
  186   2HD   ARG  28          1HD       ARG  28   6.523   0.666  -3.453
  187    HE   ARG  28           HE       ARG  28   7.273  -1.698  -4.753
  188   1HH1  ARG  28          1HH1      ARG  28   4.388  -0.060  -3.670
  189   2HH1  ARG  28          2HH1      ARG  28   3.385  -0.748  -4.901
  190   1HH2  ARG  28          1HH2      ARG  28   5.953  -2.604  -6.374
  191   2HH2  ARG  28          2HH2      ARG  28   4.272  -2.193  -6.437
  192    H    LEU  29           H        LEU  29   9.935   3.445  -3.041
  193    HA   LEU  29           HA       LEU  29  11.358   4.052  -5.417
  194   1HB   LEU  29          2HB       LEU  29   9.492   5.392  -4.922
  195   2HB   LEU  29          1HB       LEU  29  10.049   5.712  -3.291
  196    HG   LEU  29           HG       LEU  29  11.846   7.129  -4.166
  197   1HD1  LEU  29          1HD1      LEU  29  10.767   6.201  -6.794
  198   2HD1  LEU  29          2HD1      LEU  29  12.438   6.297  -6.240
  199   3HD1  LEU  29          3HD1      LEU  29  11.561   7.769  -6.658
  200   1HD2  LEU  29          1HD2      LEU  29   9.479   8.188  -5.587
  201   2HD2  LEU  29          2HD2      LEU  29  10.519   8.951  -4.384
  202   3HD2  LEU  29          3HD2      LEU  29   9.278   7.804  -3.877
  203    H    ALA  30           H        ALA  30  12.012   4.610  -2.010
  204    HA   ALA  30           HA       ALA  30  14.438   6.028  -2.416
  205   1HB   ALA  30          1HB       ALA  30  14.606   6.103  -0.085
  206   2HB   ALA  30          2HB       ALA  30  13.681   4.613   0.116
  207   3HB   ALA  30          3HB       ALA  30  12.870   6.089  -0.406
  208    H    ASN  31           H        ASN  31  13.760   2.755  -2.772
  209    HA   ASN  31           HA       ASN  31  16.275   1.776  -1.752
  210   1HB   ASN  31          2HB       ASN  31  14.163   0.409  -1.772
  211   2HB   ASN  31          1HB       ASN  31  14.310   0.319  -3.525
  212   1HD2  ASN  31          1HD2      ASN  31  15.544  -1.220  -4.379
  213   2HD2  ASN  31          2HD2      ASN  31  16.590  -2.268  -3.489
  214    H    GLY  32           H        GLY  32  15.048   2.997  -4.741
  215   1HA   GLY  32          2HA       GLY  32  16.606   3.794  -6.395
  216   2HA   GLY  32          1HA       GLY  32  17.671   2.461  -5.974
  217    H    GLY  33           H        GLY  33  14.195   2.245  -6.545
  218   1HA   GLY  33          2HA       GLY  33  12.989   1.208  -8.208
  219   2HA   GLY  33          1HA       GLY  33  14.402   1.371  -9.240
  220    H    ASN  34           H        ASN  34  12.385  -0.810  -7.788
  221    HA   ASN  34           HA       ASN  34  14.384  -2.882  -7.382
  222   1HB   ASN  34          2HB       ASN  34  12.518  -4.267  -6.623
  223   2HB   ASN  34          1HB       ASN  34  12.495  -2.705  -5.809
  224   1HD2  ASN  34          1HD2      ASN  34  10.520  -4.910  -6.929
  225   2HD2  ASN  34          2HD2      ASN  34   9.215  -3.940  -7.517
  226    H    GLY  35           H        GLY  35  12.158  -1.807  -9.795
  227   1HA   GLY  35          2HA       GLY  35  13.246  -3.552 -11.759
  228   2HA   GLY  35          1HA       GLY  35  11.655  -4.108 -11.254
  229    H    PHE  36           H        PHE  36  12.528  -3.095 -13.862
  230    HA   PHE  36           HA       PHE  36  10.330  -1.311 -14.327
  231   1HB   PHE  36          2HB       PHE  36  12.403   0.088 -13.525
  232   2HB   PHE  36          1HB       PHE  36  12.975  -0.181 -15.167
  233    HD1  PHE  36          1HD       PHE  36  10.380   1.394 -13.105
  234    HD2  PHE  36          2HD       PHE  36  11.954   0.917 -17.030
  235    HE1  PHE  36          1HE       PHE  36   9.005   3.280 -13.881
  236    HE2  PHE  36          2HE       PHE  36  10.582   2.803 -17.814
  237    HZ   PHE  36           HZ       PHE  36   9.105   3.988 -16.238
  238    H    TRP  37           H        TRP  37   9.471  -2.073 -16.127
  239    HA   TRP  37           HA       TRP  37  10.969  -3.683 -17.968
  240   1HB   TRP  37          2HB       TRP  37   8.775  -3.667 -19.257
  241   2HB   TRP  37          1HB       TRP  37   8.714  -4.335 -17.628
  242    HD1  TRP  37           HD       TRP  37   7.563  -1.299 -19.664
  243    HE1  TRP  37          1HE       TRP  37   5.710  -0.087 -18.351
  244    HE3  TRP  37          3HE       TRP  37   7.812  -3.931 -15.287
  245    HZ2  TRP  37          2HZ       TRP  37   4.513  -0.227 -15.798
  246    HZ3  TRP  37          3HZ       TRP  37   6.279  -3.328 -13.460
  247    HH2  TRP  37           HH       TRP  37   4.664  -1.513 -13.711
  Start of MODEL   14
    1    HA   LYS   1           HA       LYS   1  -7.039  -6.003   7.545
    2   1HB   LYS   1          2HB       LYS   1  -7.887  -6.748   5.286
    3   2HB   LYS   1          1HB       LYS   1  -9.026  -6.925   6.613
    4   1HG   LYS   1          2HG       LYS   1  -9.753  -4.504   5.766
    5   2HG   LYS   1          1HG       LYS   1  -9.103  -5.144   4.253
    6   1HD   LYS   1          2HD       LYS   1 -11.096  -6.644   5.936
    7   2HD   LYS   1          1HD       LYS   1 -11.578  -5.515   4.670
    8   1HE   LYS   1          2HE       LYS   1 -11.428  -7.214   3.239
    9   2HE   LYS   1          1HE       LYS   1  -9.679  -7.140   3.459
   10   1HZ   LYS   1          1HZ       LYS   1 -10.574  -9.371   3.833
   11   2HZ   LYS   1          2HZ       LYS   1 -11.532  -8.785   5.098
   12   3HZ   LYS   1          3HZ       LYS   1  -9.846  -8.750   5.230
   13    H    TYR   2           H        TYR   2  -5.058  -5.190   7.103
   14    HA   TYR   2           HA       TYR   2  -4.746  -2.998   5.245
   15   1HB   TYR   2          2HB       TYR   2  -3.286  -3.919   7.427
   16   2HB   TYR   2          1HB       TYR   2  -2.258  -4.258   6.035
   17    HD1  TYR   2          1HD       TYR   2  -4.266  -1.609   7.596
   18    HD2  TYR   2          2HD       TYR   2  -0.989  -2.521   5.085
   19    HE1  TYR   2          1HE       TYR   2  -3.628   0.770   7.573
   20    HE2  TYR   2          2HE       TYR   2  -0.350  -0.168   5.026
   21    HH   TYR   2           HH       TYR   2  -2.361   2.325   6.394
   22    H    TYR   3           H        TYR   3  -3.677  -3.096   3.253
   23    HA   TYR   3           HA       TYR   3  -3.431  -5.821   2.132
   24   1HB   TYR   3          2HB       TYR   3  -4.353  -3.218   1.004
   25   2HB   TYR   3          1HB       TYR   3  -3.545  -4.343  -0.086
   26    HD1  TYR   3          1HD       TYR   3  -6.625  -3.482   1.501
   27    HD2  TYR   3          2HD       TYR   3  -4.470  -6.728  -0.201
   28    HE1  TYR   3          1HE       TYR   3  -8.726  -4.729   1.236
   29    HE2  TYR   3          2HE       TYR   3  -6.564  -7.987  -0.465
   30    HH   TYR   3           HH       TYR   3  -9.653  -6.529  -0.006
   31    H    GLY   4           H        GLY   4  -1.314  -4.563   3.645
   32   1HA   GLY   4          2HA       GLY   4   0.921  -4.025   3.501
   33   2HA   GLY   4          1HA       GLY   4   0.921  -5.165   2.165
   34    H    ASN   5           H        ASN   5  -1.091  -2.411   1.784
   35    HA   ASN   5           HA       ASN   5   0.951  -0.840   0.419
   36   1HB   ASN   5          2HB       ASN   5  -1.357  -2.221  -0.918
   37   2HB   ASN   5          1HB       ASN   5  -0.851  -0.640  -1.506
   38   1HD2  ASN   5          1HD2      ASN   5  -0.544  -3.790  -2.082
   39   2HD2  ASN   5          2HD2      ASN   5   1.038  -3.839  -2.775
   40    H    GLY   6           H        GLY   6  -0.177  -0.172   2.779
   41   1HA   GLY   6          2HA       GLY   6  -1.586   1.295   3.883
   42   2HA   GLY   6          1HA       GLY   6  -1.122   2.357   2.569
   43    H    VAL   7           H        VAL   7  -3.247  -0.496   2.813
   44    HA   VAL   7           HA       VAL   7  -5.530   1.142   2.003
   45    HB   VAL   7           HB       VAL   7  -4.545  -1.230   0.426
   46   1HG1  VAL   7          1HG1      VAL   7  -7.266  -0.026   0.662
   47   2HG1  VAL   7          2HG1      VAL   7  -6.802  -1.730   0.648
   48   3HG1  VAL   7          3HG1      VAL   7  -6.752  -0.790  -0.845
   49   1HG2  VAL   7          1HG2      VAL   7  -4.203   1.474   0.058
   50   2HG2  VAL   7          2HG2      VAL   7  -5.591   1.101  -0.964
   51   3HG2  VAL   7          3HG2      VAL   7  -4.068   0.240  -1.192
   52    H    HIS   8           H        HIS   8  -6.847   0.776   3.659
   53    HA   HIS   8           HA       HIS   8  -7.250  -2.016   4.471
   54   1HB   HIS   8          2HB       HIS   8  -8.331  -0.341   6.474
   55   2HB   HIS   8          1HB       HIS   8  -6.916  -1.378   6.589
   56    HD1  HIS   8          1HD       HIS   8  -7.669   1.778   7.555
   57    HD2  HIS   8          2HD       HIS   8  -4.728   0.329   5.000
   58    HE1  HIS   8          1HE       HIS   8  -5.900   3.558   7.504
   59    HE2  HIS   8          2HE       HIS   8  -4.208   2.734   5.827
   60    H    CYS   9           H        CYS   9  -9.254  -2.851   4.407
   61    HA   CYS   9           HA       CYS   9 -11.384  -1.073   3.474
   62   1HB   CYS   9          2HB       CYS   9 -10.462  -3.421   2.370
   63   2HB   CYS   9          1HB       CYS   9 -11.902  -3.936   3.241
   64    H    THR  10           H        THR  10 -11.609  -0.405   5.656
   65    HA   THR  10           HA       THR  10 -12.758  -2.337   7.514
   66    HB   THR  10           HB       THR  10 -12.309  -0.799   9.225
   67    HG1  THR  10          1HG       THR  10 -12.314   1.147   7.180
   68   1HG2  THR  10          1HG2      THR  10 -10.213  -1.561   7.864
   69   2HG2  THR  10          2HG2      THR  10 -10.072  -0.337   9.126
   70   3HG2  THR  10          3HG2      THR  10 -10.133   0.148   7.431
   71    H    LYS  11           H        LYS  11 -14.759  -2.362   8.209
   72    HA   LYS  11           HA       LYS  11 -16.920  -1.759   8.600
   73   1HB   LYS  11          2HB       LYS  11 -16.456   0.691   6.894
   74   2HB   LYS  11          1HB       LYS  11 -17.838   0.374   7.927
   75   1HG   LYS  11          2HG       LYS  11 -15.894   0.175   9.739
   76   2HG   LYS  11          1HG       LYS  11 -15.126   1.284   8.604
   77   1HD   LYS  11          2HD       LYS  11 -17.795   2.153   8.953
   78   2HD   LYS  11          1HD       LYS  11 -17.136   1.825  10.557
   79   1HE   LYS  11          2HE       LYS  11 -15.447   3.399  10.323
   80   2HE   LYS  11          1HE       LYS  11 -15.552   3.393   8.563
   81   1HZ   LYS  11          1HZ       LYS  11 -17.666   4.534   8.709
   82   2HZ   LYS  11          2HZ       LYS  11 -16.477   5.416   9.525
   83   3HZ   LYS  11          3HZ       LYS  11 -17.604   4.507  10.399
   84    H    SER  12           H        SER  12 -16.804  -0.257   5.431
   85    HA   SER  12           HA       SER  12 -17.696  -2.673   4.114
   86   1HB   SER  12          2HB       SER  12 -19.611  -0.833   5.103
   87   2HB   SER  12          1HB       SER  12 -19.592  -0.684   3.349
   88    HG   SER  12           HG       SER  12 -19.700  -3.200   4.625
   89    H    GLY  13           H        GLY  13 -15.530  -0.563   3.998
   90   1HA   GLY  13          2HA       GLY  13 -15.464  -0.388   1.116
   91   2HA   GLY  13          1HA       GLY  13 -15.622   1.167   1.921
   92    H    CYS  14           H        CYS  14 -13.439   0.526   0.309
   93    HA   CYS  14           HA       CYS  14 -11.267  -0.062   2.157
   94   1HB   CYS  14          2HB       CYS  14 -11.304   0.236  -0.828
   95   2HB   CYS  14          1HB       CYS  14  -9.841   0.019   0.121
   96    H    SER  15           H        SER  15  -9.709   1.280   2.723
   97    HA   SER  15           HA       SER  15  -9.864   4.052   1.761
   98   1HB   SER  15          2HB       SER  15  -9.360   4.754   4.158
   99   2HB   SER  15          1HB       SER  15 -10.997   4.170   3.852
  100    HG   SER  15           HG       SER  15 -10.308   3.126   5.663
  101    H    VAL  16           H        VAL  16  -7.876   5.305   2.431
  102    HA   VAL  16           HA       VAL  16  -5.528   3.556   2.625
  103    HB   VAL  16           HB       VAL  16  -5.804   5.832   0.660
  104   1HG1  VAL  16          1HG1      VAL  16  -3.512   4.424   1.789
  105   2HG1  VAL  16          2HG1      VAL  16  -3.582   5.938   0.901
  106   3HG1  VAL  16          3HG1      VAL  16  -3.540   4.411   0.028
  107   1HG2  VAL  16          1HG2      VAL  16  -5.176   3.795  -0.876
  108   2HG2  VAL  16          2HG2      VAL  16  -6.857   4.140  -0.448
  109   3HG2  VAL  16          3HG2      VAL  16  -5.962   2.884   0.417
  110    H    ASN  17           H        ASN  17  -4.289   4.152   4.261
  111    HA   ASN  17           HA       ASN  17  -4.623   6.547   5.725
  112   1HB   ASN  17          2HB       ASN  17  -2.875   4.193   5.799
  113   2HB   ASN  17          1HB       ASN  17  -2.075   5.664   6.344
  114   1HD2  ASN  17          1HD2      ASN  17  -2.547   3.502   8.002
  115   2HD2  ASN  17          2HD2      ASN  17  -3.695   3.956   9.212
  116    H    TRP  18           H        TRP  18  -2.811   5.673   2.957
  117    HA   TRP  18           HA       TRP  18  -1.543   6.789   1.482
  118   1HB   TRP  18          2HB       TRP  18  -2.702   9.121   2.995
  119   2HB   TRP  18          1HB       TRP  18  -1.585   9.345   1.643
  120    HD1  TRP  18           HD       TRP  18  -5.176   8.963   2.322
  121    HE1  TRP  18          1HE       TRP  18  -6.471   8.408   0.171
  122    HE3  TRP  18          3HE       TRP  18  -1.249   7.767  -0.668
  123    HZ2  TRP  18          2HZ       TRP  18  -5.889   7.565  -2.458
  124    HZ3  TRP  18          3HZ       TRP  18  -1.689   7.087  -2.995
  125    HH2  TRP  18           HH       TRP  18  -3.967   6.978  -3.861
  126    H    GLY  19           H        GLY  19  -0.968   8.472   4.607
  127   1HA   GLY  19          2HA       GLY  19   1.761   8.843   4.135
  128   2HA   GLY  19          1HA       GLY  19   1.033   8.728   5.738
  129    H    GLU  20           H        GLU  20  -0.037   6.046   5.177
  130    HA   GLU  20           HA       GLU  20   2.246   4.498   5.983
  131   1HB   GLU  20          2HB       GLU  20  -0.638   4.182   5.961
  132   2HB   GLU  20          1HB       GLU  20   0.149   2.734   5.329
  133   1HG   GLU  20          2HG       GLU  20   1.122   3.957   7.870
  134   2HG   GLU  20          1HG       GLU  20  -0.331   2.959   7.871
  135    H    ALA  21           H        ALA  21   0.152   4.713   3.145
  136    HA   ALA  21           HA       ALA  21   1.472   2.693   1.625
  137   1HB   ALA  21          1HB       ALA  21   0.147   3.469  -0.191
  138   2HB   ALA  21          2HB       ALA  21  -0.087   5.039   0.578
  139   3HB   ALA  21          3HB       ALA  21  -0.855   3.605   1.253
  140    H    PHE  22           H        PHE  22   1.684   6.187   1.892
  141    HA   PHE  22           HA       PHE  22   3.493   6.717  -0.182
  142   1HB   PHE  22          2HB       PHE  22   2.275   8.494   0.946
  143   2HB   PHE  22          1HB       PHE  22   3.032   8.086   2.482
  144    HD1  PHE  22          1HD       PHE  22   4.192   8.839  -0.977
  145    HD2  PHE  22          2HD       PHE  22   4.586   9.557   3.185
  146    HE1  PHE  22          1HE       PHE  22   5.973  10.468  -1.440
  147    HE2  PHE  22          2HE       PHE  22   6.376  11.199   2.739
  148    HZ   PHE  22           HZ       PHE  22   7.069  11.649   0.418
  149    H    SER  23           H        SER  23   3.882   5.802   3.165
  150    HA   SER  23           HA       SER  23   6.737   5.958   3.198
  151   1HB   SER  23          2HB       SER  23   4.826   4.449   5.015
  152   2HB   SER  23          1HB       SER  23   6.548   4.671   5.324
  153    HG   SER  23           HG       SER  23   5.906   6.430   6.277
  154    H    ALA  24           H        ALA  24   4.396   3.578   2.243
  155    HA   ALA  24           HA       ALA  24   6.206   1.348   2.183
  156   1HB   ALA  24          1HB       ALA  24   4.087   0.538   2.327
  157   2HB   ALA  24          2HB       ALA  24   4.221   0.563   0.567
  158   3HB   ALA  24          3HB       ALA  24   3.402   1.880   1.408
  159    H    GLY  25           H        GLY  25   4.654   3.360  -0.293
  160   1HA   GLY  25          2HA       GLY  25   5.965   2.279  -2.514
  161   2HA   GLY  25          1HA       GLY  25   5.266   3.887  -2.441
  162    H    VAL  26           H        VAL  26   6.881   5.019  -0.433
  163    HA   VAL  26           HA       VAL  26   9.126   5.809  -1.961
  164    HB   VAL  26           HB       VAL  26   8.558   6.184   0.988
  165   1HG1  VAL  26          1HG1      VAL  26  10.217   8.132   0.629
  166   2HG1  VAL  26          2HG1      VAL  26  10.770   7.200  -0.763
  167   3HG1  VAL  26          3HG1      VAL  26  10.863   6.506   0.855
  168   1HG2  VAL  26          1HG2      VAL  26   8.221   8.009  -1.385
  169   2HG2  VAL  26          2HG2      VAL  26   7.940   8.444   0.301
  170   3HG2  VAL  26          3HG2      VAL  26   6.933   7.219  -0.474
  171    H    HIS  27           H        HIS  27   8.835   3.543   0.775
  172    HA   HIS  27           HA       HIS  27  11.600   3.121   1.086
  173   1HB   HIS  27          2HB       HIS  27   9.268   1.262   1.622
  174   2HB   HIS  27          1HB       HIS  27  10.924   0.936   2.119
  175    HD1  HIS  27          1HD       HIS  27   9.976   4.449   2.410
  176    HD2  HIS  27          2HD       HIS  27   9.819   1.054   4.796
  177    HE1  HIS  27          1HE       HIS  27   9.543   5.281   4.721
  178    HE2  HIS  27          2HE       HIS  27   9.378   3.213   6.153
  179    H    ARG  28           H        ARG  28   9.177   1.584  -0.949
  180    HA   ARG  28           HA       ARG  28  10.959  -0.305  -2.120
  181   1HB   ARG  28          2HB       ARG  28   8.657  -0.872  -2.107
  182   2HB   ARG  28          1HB       ARG  28   8.192   0.668  -2.811
  183   1HG   ARG  28          2HG       ARG  28   8.335  -0.153  -4.859
  184   2HG   ARG  28          1HG       ARG  28   9.975  -0.738  -4.572
  185   1HD   ARG  28          2HD       ARG  28   7.421  -2.165  -3.837
  186   2HD   ARG  28          1HD       ARG  28   8.486  -2.571  -5.180
  187    HE   ARG  28           HE       ARG  28  10.087  -3.370  -3.644
  188   1HH1  ARG  28          1HH1      ARG  28   7.143  -2.324  -2.070
  189   2HH1  ARG  28          2HH1      ARG  28   7.485  -3.173  -0.603
  190   1HH2  ARG  28          1HH2      ARG  28  10.531  -4.479  -1.713
  191   2HH2  ARG  28          2HH2      ARG  28   9.407  -4.393  -0.397
  192    H    LEU  29           H        LEU  29   9.647   2.830  -3.185
  193    HA   LEU  29           HA       LEU  29  10.944   2.750  -5.701
  194   1HB   LEU  29          2HB       LEU  29   9.874   4.680  -6.181
  195   2HB   LEU  29          1HB       LEU  29   8.886   4.145  -4.840
  196    HG   LEU  29           HG       LEU  29  10.522   5.655  -3.429
  197   1HD1  LEU  29          1HD1      LEU  29  12.045   6.197  -5.241
  198   2HD1  LEU  29          2HD1      LEU  29  11.207   7.649  -4.700
  199   3HD1  LEU  29          3HD1      LEU  29  10.712   6.849  -6.192
  200   1HD2  LEU  29          1HD2      LEU  29   8.971   7.532  -3.755
  201   2HD2  LEU  29          2HD2      LEU  29   8.125   5.991  -3.612
  202   3HD2  LEU  29          3HD2      LEU  29   8.332   6.738  -5.195
  203    H    ALA  30           H        ALA  30  11.674   4.379  -2.673
  204    HA   ALA  30           HA       ALA  30  14.114   5.510  -3.671
  205   1HB   ALA  30          1HB       ALA  30  13.869   5.475  -0.783
  206   2HB   ALA  30          2HB       ALA  30  12.404   6.062  -1.569
  207   3HB   ALA  30          3HB       ALA  30  13.953   6.840  -1.897
  208    H    ASN  31           H        ASN  31  13.767   3.589  -0.701
  209    HA   ASN  31           HA       ASN  31  15.239   2.155   0.296
  210   1HB   ASN  31          2HB       ASN  31  14.102   0.492  -0.914
  211   2HB   ASN  31          1HB       ASN  31  14.789   0.997  -2.450
  212   1HD2  ASN  31          1HD2      ASN  31  15.279  -1.253  -2.733
  213   2HD2  ASN  31          2HD2      ASN  31  16.690  -1.928  -2.001
  214    H    GLY  32           H        GLY  32  16.820   3.978   0.347
  215   1HA   GLY  32          2HA       GLY  32  19.377   3.344   0.160
  216   2HA   GLY  32          1HA       GLY  32  19.047   3.706  -1.528
  217    H    GLY  33           H        GLY  33  18.261   5.881  -2.042
  218   1HA   GLY  33          2HA       GLY  33  18.415   8.172  -1.913
  219   2HA   GLY  33          1HA       GLY  33  18.288   7.992  -0.168
  220    H    ASN  34           H        ASN  34  20.733   7.040  -2.571
  221    HA   ASN  34           HA       ASN  34  22.677   8.838  -1.375
  222   1HB   ASN  34          2HB       ASN  34  22.842   5.844  -1.192
  223   2HB   ASN  34          1HB       ASN  34  24.314   6.806  -1.282
  224   1HD2  ASN  34          1HD2      ASN  34  23.989   8.887   0.237
  225   2HD2  ASN  34          2HD2      ASN  34  23.586   8.469   1.864
  226    H    GLY  35           H        GLY  35  22.793   9.871  -3.355
  227   1HA   GLY  35          2HA       GLY  35  24.107  10.191  -5.288
  228   2HA   GLY  35          1HA       GLY  35  24.359   8.452  -5.379
  229    H    PHE  36           H        PHE  36  22.885  10.978  -6.867
  230    HA   PHE  36           HA       PHE  36  21.309   9.256  -8.539
  231   1HB   PHE  36          2HB       PHE  36  20.029  10.811  -6.392
  232   2HB   PHE  36          1HB       PHE  36  19.321  11.072  -7.982
  233    HD1  PHE  36          1HD       PHE  36  19.580   8.859  -5.174
  234    HD2  PHE  36          2HD       PHE  36  18.505   9.081  -9.285
  235    HE1  PHE  36          1HE       PHE  36  18.323   6.758  -4.954
  236    HE2  PHE  36          2HE       PHE  36  17.243   6.981  -9.070
  237    HZ   PHE  36           HZ       PHE  36  17.152   5.817  -6.903
  238    H    TRP  37           H        TRP  37  23.521  11.077  -8.828
  239    HA   TRP  37           HA       TRP  37  24.291  12.605 -10.326
  240   1HB   TRP  37          2HB       TRP  37  21.729  11.734 -11.487
  241   2HB   TRP  37          1HB       TRP  37  22.288  13.308 -12.044
  242    HD1  TRP  37           HD       TRP  37  24.189   9.967 -11.435
  243    HE1  TRP  37          1HE       TRP  37  25.579   9.462 -13.542
  244    HE3  TRP  37          3HE       TRP  37  22.799  13.965 -14.304
  245    HZ2  TRP  37          2HZ       TRP  37  26.028  10.607 -16.082
  246    HZ3  TRP  37          3HZ       TRP  37  23.756  14.186 -16.560
  247    HH2  TRP  37           HH       TRP  37  25.337  12.541 -17.429
  Start of MODEL   15
    1    HA   LYS   1           HA       LYS   1  -7.102  -6.170   6.507
    2   1HB   LYS   1          2HB       LYS   1  -7.416  -7.426   4.492
    3   2HB   LYS   1          1HB       LYS   1  -9.006  -7.164   5.197
    4   1HG   LYS   1          2HG       LYS   1  -9.443  -5.391   3.596
    5   2HG   LYS   1          1HG       LYS   1  -7.823  -5.577   2.922
    6   1HD   LYS   1          2HD       LYS   1  -9.450  -6.720   1.527
    7   2HD   LYS   1          1HD       LYS   1  -8.371  -7.889   2.292
    8   1HE   LYS   1          2HE       LYS   1 -10.802  -8.517   2.295
    9   2HE   LYS   1          1HE       LYS   1 -10.026  -8.508   3.877
   10   1HZ   LYS   1          1HZ       LYS   1 -12.241  -7.457   3.858
   11   2HZ   LYS   1          2HZ       LYS   1 -11.659  -6.274   2.800
   12   3HZ   LYS   1          3HZ       LYS   1 -11.021  -6.398   4.361
   13    H    TYR   2           H        TYR   2  -5.058  -5.495   6.148
   14    HA   TYR   2           HA       TYR   2  -4.604  -3.197   4.478
   15   1HB   TYR   2          2HB       TYR   2  -3.382  -4.196   6.712
   16   2HB   TYR   2          1HB       TYR   2  -2.219  -4.547   5.434
   17    HD1  TYR   2          1HD       TYR   2  -4.088  -1.975   7.152
   18    HD2  TYR   2          2HD       TYR   2  -1.090  -2.748   4.286
   19    HE1  TYR   2          1HE       TYR   2  -3.410   0.382   7.247
   20    HE2  TYR   2          2HE       TYR   2  -0.407  -0.417   4.332
   21    HH   TYR   2           HH       TYR   2  -0.522   1.449   6.013
   22    H    TYR   3           H        TYR   3  -3.727  -3.178   2.482
   23    HA   TYR   3           HA       TYR   3  -3.089  -5.786   1.274
   24   1HB   TYR   3          2HB       TYR   3  -4.257  -3.257   0.198
   25   2HB   TYR   3          1HB       TYR   3  -3.346  -4.299  -0.891
   26    HD1  TYR   3          1HD       TYR   3  -6.487  -3.775   0.771
   27    HD2  TYR   3          2HD       TYR   3  -4.072  -6.723  -1.119
   28    HE1  TYR   3          1HE       TYR   3  -8.466  -5.194   0.478
   29    HE2  TYR   3          2HE       TYR   3  -6.051  -8.155  -1.415
   30    HH   TYR   3           HH       TYR   3  -8.766  -7.530  -1.565
   31    H    GLY   4           H        GLY   4  -1.146  -4.520   2.876
   32   1HA   GLY   4          2HA       GLY   4   1.011  -3.702   2.856
   33   2HA   GLY   4          1HA       GLY   4   1.166  -4.777   1.473
   34    H    ASN   5           H        ASN   5  -0.999  -2.092   1.286
   35    HA   ASN   5           HA       ASN   5   0.953  -0.377  -0.030
   36   1HB   ASN   5          2HB       ASN   5  -1.199  -1.865  -1.409
   37   2HB   ASN   5          1HB       ASN   5  -1.097  -0.151  -1.807
   38   1HD2  ASN   5          1HD2      ASN   5  -0.538  -2.464  -3.475
   39   2HD2  ASN   5          2HD2      ASN   5   1.102  -2.300  -3.993
   40    H    GLY   6           H        GLY   6  -0.293  -0.107   2.440
   41   1HA   GLY   6          2HA       GLY   6  -1.473   1.402   3.697
   42   2HA   GLY   6          1HA       GLY   6  -1.322   2.483   2.327
   43    H    VAL   7           H        VAL   7  -2.880  -0.437   1.559
   44    HA   VAL   7           HA       VAL   7  -5.475   0.962   1.546
   45    HB   VAL   7           HB       VAL   7  -4.472  -1.335  -0.123
   46   1HG1  VAL   7          1HG1      VAL   7  -6.829  -1.164  -1.133
   47   2HG1  VAL   7          2HG1      VAL   7  -7.258  -0.356   0.380
   48   3HG1  VAL   7          3HG1      VAL   7  -6.655  -2.011   0.406
   49   1HG2  VAL   7          1HG2      VAL   7  -4.389   0.143  -1.820
   50   2HG2  VAL   7          2HG2      VAL   7  -4.357   1.357  -0.542
   51   3HG2  VAL   7          3HG2      VAL   7  -5.884   0.935  -1.323
   52    H    HIS   8           H        HIS   8  -6.898   0.438   3.026
   53    HA   HIS   8           HA       HIS   8  -7.000  -2.338   3.935
   54   1HB   HIS   8          2HB       HIS   8  -7.852  -0.868   6.142
   55   2HB   HIS   8          1HB       HIS   8  -6.338  -1.750   5.991
   56    HD1  HIS   8          1HD       HIS   8  -7.359   1.322   7.134
   57    HD2  HIS   8          2HD       HIS   8  -4.485   0.166   4.370
   58    HE1  HIS   8          1HE       HIS   8  -5.756   3.241   7.006
   59    HE2  HIS   8          2HE       HIS   8  -3.935   2.457   5.446
   60    H    CYS   9           H        CYS   9  -8.986  -3.168   4.209
   61    HA   CYS   9           HA       CYS   9 -11.197  -1.375   3.542
   62   1HB   CYS   9          2HB       CYS   9 -11.202  -4.380   3.304
   63   2HB   CYS   9          1HB       CYS   9 -12.389  -3.246   2.668
   64    H    THR  10           H        THR  10 -11.996  -0.678   5.407
   65    HA   THR  10           HA       THR  10 -12.206  -2.519   7.658
   66    HB   THR  10           HB       THR  10 -12.674  -0.539   8.999
   67    HG1  THR  10          1HG       THR  10 -12.842   0.702   6.479
   68   1HG2  THR  10          1HG2      THR  10 -10.264  -1.064   8.092
   69   2HG2  THR  10          2HG2      THR  10 -10.600   0.400   9.014
   70   3HG2  THR  10          3HG2      THR  10 -10.494   0.472   7.256
   71    H    LYS  11           H        LYS  11 -14.309  -1.498   9.036
   72    HA   LYS  11           HA       LYS  11 -16.466  -2.879   7.940
   73   1HB   LYS  11          2HB       LYS  11 -17.702  -2.141   9.818
   74   2HB   LYS  11          1HB       LYS  11 -16.038  -2.325  10.356
   75   1HG   LYS  11          2HG       LYS  11 -16.276  -0.294  11.236
   76   2HG   LYS  11          1HG       LYS  11 -16.113   0.298   9.581
   77   1HD   LYS  11          2HD       LYS  11 -18.473   0.407   9.301
   78   2HD   LYS  11          1HD       LYS  11 -18.754  -0.473  10.803
   79   1HE   LYS  11          2HE       LYS  11 -17.787   1.399  12.064
   80   2HE   LYS  11          1HE       LYS  11 -17.548   2.280  10.555
   81   1HZ   LYS  11          1HZ       LYS  11 -19.929   2.277  10.203
   82   2HZ   LYS  11          2HZ       LYS  11 -19.565   2.976  11.700
   83   3HZ   LYS  11          3HZ       LYS  11 -20.172   1.398  11.629
   84    H    SER  12           H        SER  12 -15.337   0.273   7.247
   85    HA   SER  12           HA       SER  12 -17.922   1.181   6.256
   86   1HB   SER  12          2HB       SER  12 -15.531   2.459   7.163
   87   2HB   SER  12          1HB       SER  12 -15.873   2.991   5.520
   88    HG   SER  12           HG       SER  12 -17.807   2.972   7.591
   89    H    GLY  13           H        GLY  13 -14.891  -0.099   5.130
   90   1HA   GLY  13          2HA       GLY  13 -15.452  -1.254   2.853
   91   2HA   GLY  13          1HA       GLY  13 -15.594   0.420   2.331
   92    H    CYS  14           H        CYS  14 -13.849  -0.161   0.826
   93    HA   CYS  14           HA       CYS  14 -11.235  -0.523   2.049
   94   1HB   CYS  14          2HB       CYS  14 -12.001  -0.393  -0.860
   95   2HB   CYS  14          1HB       CYS  14 -10.392  -0.729  -0.233
   96    H    SER  15           H        SER  15  -9.882   0.991   2.455
   97    HA   SER  15           HA       SER  15 -10.039   3.522   0.985
   98   1HB   SER  15          2HB       SER  15  -9.667   3.664   3.952
   99   2HB   SER  15          1HB       SER  15 -10.302   4.881   2.844
  100    HG   SER  15           HG       SER  15 -11.587   2.589   3.878
  101    H    VAL  16           H        VAL  16  -8.151   4.982   1.685
  102    HA   VAL  16           HA       VAL  16  -5.752   3.340   2.167
  103    HB   VAL  16           HB       VAL  16  -5.930   5.628   0.206
  104   1HG1  VAL  16          1HG1      VAL  16  -3.718   3.983   1.284
  105   2HG1  VAL  16          2HG1      VAL  16  -3.726   5.649   0.721
  106   3HG1  VAL  16          3HG1      VAL  16  -3.678   4.332  -0.446
  107   1HG2  VAL  16          1HG2      VAL  16  -6.969   4.036  -1.006
  108   2HG2  VAL  16          2HG2      VAL  16  -6.219   2.714  -0.102
  109   3HG2  VAL  16          3HG2      VAL  16  -5.292   3.587  -1.335
  110    H    ASN  17           H        ASN  17  -4.552   4.072   3.817
  111    HA   ASN  17           HA       ASN  17  -5.202   6.504   5.148
  112   1HB   ASN  17          2HB       ASN  17  -3.581   4.194   5.656
  113   2HB   ASN  17          1HB       ASN  17  -2.636   5.645   5.984
  114   1HD2  ASN  17          1HD2      ASN  17  -2.612   5.493   8.172
  115   2HD2  ASN  17          2HD2      ASN  17  -4.018   5.625   9.167
  116    H    TRP  18           H        TRP  18  -3.233   5.681   2.525
  117    HA   TRP  18           HA       TRP  18  -1.870   6.821   1.143
  118   1HB   TRP  18          2HB       TRP  18  -3.169   9.113   2.594
  119   2HB   TRP  18          1HB       TRP  18  -1.996   9.365   1.296
  120    HD1  TRP  18           HD       TRP  18  -5.610   8.940   1.783
  121    HE1  TRP  18          1HE       TRP  18  -6.783   8.359  -0.427
  122    HE3  TRP  18          3HE       TRP  18  -1.525   7.727  -0.977
  123    HZ2  TRP  18          2HZ       TRP  18  -6.058   7.475  -3.006
  124    HZ3  TRP  18          3HZ       TRP  18  -1.836   7.010  -3.309
  125    HH2  TRP  18           HH       TRP  18  -4.062   6.868  -4.287
  126    H    GLY  19           H        GLY  19  -1.513   8.598   4.255
  127   1HA   GLY  19          2HA       GLY  19   1.235   8.985   3.911
  128   2HA   GLY  19          1HA       GLY  19   0.427   8.928   5.480
  129    H    GLU  20           H        GLU  20  -0.559   6.162   4.803
  130    HA   GLU  20           HA       GLU  20   1.695   4.707   5.857
  131   1HB   GLU  20          2HB       GLU  20  -1.180   4.219   5.494
  132   2HB   GLU  20          1HB       GLU  20  -0.187   2.804   5.130
  133   1HG   GLU  20          2HG       GLU  20   0.429   2.514   7.277
  134   2HG   GLU  20          1HG       GLU  20   0.496   4.242   7.614
  135    H    ALA  21           H        ALA  21  -0.161   4.850   2.865
  136    HA   ALA  21           HA       ALA  21   1.307   2.864   1.459
  137   1HB   ALA  21          1HB       ALA  21  -0.984   3.722   0.903
  138   2HB   ALA  21          2HB       ALA  21   0.129   3.650  -0.463
  139   3HB   ALA  21          3HB       ALA  21  -0.212   5.195   0.321
  140    H    PHE  22           H        PHE  22   1.547   6.342   1.847
  141    HA   PHE  22           HA       PHE  22   3.484   6.894  -0.114
  142   1HB   PHE  22          2HB       PHE  22   2.174   8.619   1.144
  143   2HB   PHE  22          1HB       PHE  22   3.113   8.236   2.584
  144    HD1  PHE  22          1HD       PHE  22   5.645   8.554   2.457
  145    HD2  PHE  22          2HD       PHE  22   2.936  10.201  -0.381
  146    HE1  PHE  22          1HE       PHE  22   7.361  10.180   1.769
  147    HE2  PHE  22          2HE       PHE  22   4.645  11.830  -1.074
  148    HZ   PHE  22           HZ       PHE  22   6.861  11.819   0.000
  149    H    SER  23           H        SER  23   3.620   5.808   3.196
  150    HA   SER  23           HA       SER  23   6.475   5.869   3.447
  151   1HB   SER  23          2HB       SER  23   4.186   4.893   5.073
  152   2HB   SER  23          1HB       SER  23   5.731   4.091   5.346
  153    HG   SER  23           HG       SER  23   6.395   5.800   6.358
  154    H    ALA  24           H        ALA  24   4.116   3.590   2.283
  155    HA   ALA  24           HA       ALA  24   5.863   1.317   2.294
  156   1HB   ALA  24          1HB       ALA  24   3.486   1.522   0.499
  157   2HB   ALA  24          2HB       ALA  24   3.257   1.422   2.245
  158   3HB   ALA  24          3HB       ALA  24   4.101   0.130   1.390
  159    H    GLY  25           H        GLY  25   4.659   3.532  -0.204
  160   1HA   GLY  25          2HA       GLY  25   6.079   2.383  -2.353
  161   2HA   GLY  25          1HA       GLY  25   5.441   4.023  -2.306
  162    H    VAL  26           H        VAL  26   6.932   5.012  -0.117
  163    HA   VAL  26           HA       VAL  26   9.318   5.768  -1.439
  164    HB   VAL  26           HB       VAL  26   8.593   6.025   1.500
  165   1HG1  VAL  26          1HG1      VAL  26  10.360   8.064   0.521
  166   2HG1  VAL  26          2HG1      VAL  26  11.058   6.474   0.229
  167   3HG1  VAL  26          3HG1      VAL  26  10.584   6.941   1.862
  168   1HG2  VAL  26          1HG2      VAL  26   7.505   7.957   1.037
  169   2HG2  VAL  26          2HG2      VAL  26   7.242   7.151  -0.508
  170   3HG2  VAL  26          3HG2      VAL  26   8.533   8.340  -0.343
  171    H    HIS  27           H        HIS  27   8.675   3.385   1.103
  172    HA   HIS  27           HA       HIS  27  11.363   2.793   1.681
  173   1HB   HIS  27          2HB       HIS  27   8.882   1.065   1.870
  174   2HB   HIS  27          1HB       HIS  27  10.453   0.605   2.517
  175    HD1  HIS  27          1HD       HIS  27   9.793   4.148   2.929
  176    HD2  HIS  27          2HD       HIS  27   8.986   0.665   5.040
  177    HE1  HIS  27          1HE       HIS  27   9.173   4.890   5.233
  178    HE2  HIS  27          2HE       HIS  27   8.799   2.769   6.534
  179    H    ARG  28           H        ARG  28   9.150   1.690  -0.797
  180    HA   ARG  28           HA       ARG  28  10.887  -0.343  -1.818
  181   1HB   ARG  28          2HB       ARG  28   8.444   1.003  -2.984
  182   2HB   ARG  28          1HB       ARG  28   9.291  -0.329  -3.757
  183   1HG   ARG  28          2HG       ARG  28   8.871  -1.659  -1.655
  184   2HG   ARG  28          1HG       ARG  28   7.787  -0.358  -1.160
  185   1HD   ARG  28          2HD       ARG  28   6.160  -1.209  -2.408
  186   2HD   ARG  28          1HD       ARG  28   7.173  -1.087  -3.847
  187    HE   ARG  28           HE       ARG  28   7.960  -3.357  -2.429
  188   1HH1  ARG  28          1HH1      ARG  28   5.173  -2.194  -4.179
  189   2HH1  ARG  28          2HH1      ARG  28   4.656  -3.777  -4.655
  190   1HH2  ARG  28          1HH2      ARG  28   7.281  -5.438  -3.054
  191   2HH2  ARG  28          2HH2      ARG  28   5.853  -5.618  -4.016
  192    H    LEU  29           H        LEU  29  10.019   2.951  -2.859
  193    HA   LEU  29           HA       LEU  29  11.731   2.952  -5.121
  194   1HB   LEU  29          2HB       LEU  29  10.747   5.400  -3.712
  195   2HB   LEU  29          1HB       LEU  29  11.145   5.213  -5.409
  196    HG   LEU  29           HG       LEU  29   8.731   4.187  -3.955
  197   1HD1  LEU  29          1HD1      LEU  29   7.534   5.699  -5.155
  198   2HD1  LEU  29          2HD1      LEU  29   8.662   5.677  -6.511
  199   3HD1  LEU  29          3HD1      LEU  29   9.068   6.562  -5.041
  200   1HD2  LEU  29          1HD2      LEU  29   8.235   3.395  -6.432
  201   2HD2  LEU  29          2HD2      LEU  29   9.035   2.358  -5.250
  202   3HD2  LEU  29          3HD2      LEU  29   9.990   3.228  -6.448
  203    H    ALA  30           H        ALA  30  11.906   4.570  -2.024
  204    HA   ALA  30           HA       ALA  30  14.433   5.743  -2.417
  205   1HB   ALA  30          1HB       ALA  30  14.277   6.460  -0.181
  206   2HB   ALA  30          2HB       ALA  30  13.195   5.133   0.244
  207   3HB   ALA  30          3HB       ALA  30  12.630   6.429  -0.809
  208    H    ASN  31           H        ASN  31  13.703   2.480  -1.728
  209    HA   ASN  31           HA       ASN  31  16.147   2.021  -0.233
  210   1HB   ASN  31          2HB       ASN  31  14.150   0.693   0.297
  211   2HB   ASN  31          1HB       ASN  31  14.162   0.016  -1.331
  212   1HD2  ASN  31          1HD2      ASN  31  14.166  -1.778   0.543
  213   2HD2  ASN  31          2HD2      ASN  31  15.724  -2.482   0.794
  214    H    GLY  32           H        GLY  32  14.913   1.428  -3.487
  215   1HA   GLY  32          2HA       GLY  32  16.213   1.354  -5.436
  216   2HA   GLY  32          1HA       GLY  32  17.656   1.202  -4.445
  217    H    GLY  33           H        GLY  33  17.867  -0.930  -3.258
  218   1HA   GLY  33          2HA       GLY  33  17.151  -3.279  -3.214
  219   2HA   GLY  33          1HA       GLY  33  16.781  -3.118  -4.924
  220    H    ASN  34           H        ASN  34  19.671  -1.724  -3.550
  221    HA   ASN  34           HA       ASN  34  21.267  -3.478  -5.239
  222   1HB   ASN  34          2HB       ASN  34  21.722  -0.853  -3.893
  223   2HB   ASN  34          1HB       ASN  34  23.123  -1.858  -4.254
  224   1HD2  ASN  34          1HD2      ASN  34  23.933  -0.448  -5.778
  225   2HD2  ASN  34          2HD2      ASN  34  23.192  -0.217  -7.322
  226    H    GLY  35           H        GLY  35  21.145  -5.417  -4.063
  227   1HA   GLY  35          2HA       GLY  35  22.712  -6.741  -2.751
  228   2HA   GLY  35          1HA       GLY  35  22.796  -5.406  -1.613
  229    H    PHE  36           H        PHE  36  22.379  -7.476  -0.265
  230    HA   PHE  36           HA       PHE  36  20.998  -8.755   1.023
  231   1HB   PHE  36          2HB       PHE  36  19.521  -6.139   0.821
  232   2HB   PHE  36          1HB       PHE  36  18.927  -7.460   1.819
  233    HD1  PHE  36          1HD       PHE  36  21.001  -4.609   1.714
  234    HD2  PHE  36          2HD       PHE  36  20.611  -8.435   3.538
  235    HE1  PHE  36          1HE       PHE  36  22.480  -3.884   3.541
  236    HE2  PHE  36          2HE       PHE  36  22.089  -7.716   5.369
  237    HZ   PHE  36           HZ       PHE  36  23.026  -5.439   5.372
  238    H    TRP  37           H        TRP  37  20.779  -9.809  -1.337
  239    HA   TRP  37           HA       TRP  37  18.138  -9.718  -2.452
  240   1HB   TRP  37          2HB       TRP  37  20.673 -11.124  -3.030
  241   2HB   TRP  37          1HB       TRP  37  19.208 -11.978  -3.504
  242    HD1  TRP  37           HD       TRP  37  17.523 -10.546  -5.204
  243    HE1  TRP  37          1HE       TRP  37  18.156  -8.928  -7.102
  244    HE3  TRP  37          3HE       TRP  37  22.329  -9.491  -3.809
  245    HZ2  TRP  37          2HZ       TRP  37  20.394  -7.408  -7.905
  246    HZ3  TRP  37          3HZ       TRP  37  23.647  -7.947  -5.198
  247    HH2  TRP  37           HH       TRP  37  22.699  -6.927  -7.204
  Start of MODEL   16
    1    HA   LYS   1           HA       LYS   1  -6.919  -5.954   7.283
    2   1HB   LYS   1          2HB       LYS   1  -7.587  -6.752   4.973
    3   2HB   LYS   1          1HB       LYS   1  -8.779  -7.028   6.239
    4   1HG   LYS   1          2HG       LYS   1  -9.709  -4.716   5.406
    5   2HG   LYS   1          1HG       LYS   1  -8.843  -5.155   3.932
    6   1HD   LYS   1          2HD       LYS   1 -10.737  -7.063   5.270
    7   2HD   LYS   1          1HD       LYS   1 -11.308  -5.843   4.132
    8   1HE   LYS   1          2HE       LYS   1 -10.675  -7.078   2.400
    9   2HE   LYS   1          1HE       LYS   1  -9.041  -7.234   3.043
   10   1HZ   LYS   1          1HZ       LYS   1  -9.646  -9.395   3.108
   11   2HZ   LYS   1          2HZ       LYS   1 -11.299  -9.064   3.239
   12   3HZ   LYS   1          3HZ       LYS   1 -10.304  -8.949   4.602
   13    H    TYR   2           H        TYR   2  -4.987  -5.002   6.939
   14    HA   TYR   2           HA       TYR   2  -4.726  -2.798   5.112
   15   1HB   TYR   2          2HB       TYR   2  -3.256  -3.679   7.289
   16   2HB   TYR   2          1HB       TYR   2  -2.210  -4.011   5.909
   17    HD1  TYR   2          1HD       TYR   2  -0.994  -2.253   4.912
   18    HD2  TYR   2          2HD       TYR   2  -4.262  -1.400   7.454
   19    HE1  TYR   2          1HE       TYR   2  -0.440   0.124   4.797
   20    HE2  TYR   2          2HE       TYR   2  -3.700   0.992   7.386
   21    HH   TYR   2           HH       TYR   2  -2.502   2.571   6.164
   22    H    TYR   3           H        TYR   3  -3.867  -2.836   3.090
   23    HA   TYR   3           HA       TYR   3  -3.437  -5.508   1.928
   24   1HB   TYR   3          2HB       TYR   3  -4.423  -2.897   0.869
   25   2HB   TYR   3          1HB       TYR   3  -3.599  -3.984  -0.252
   26    HD1  TYR   3          1HD       TYR   3  -4.463  -6.451  -0.239
   27    HD2  TYR   3          2HD       TYR   3  -6.713  -3.147   1.186
   28    HE1  TYR   3          1HE       TYR   3  -6.534  -7.744  -0.525
   29    HE2  TYR   3          2HE       TYR   3  -8.793  -4.421   0.897
   30    HH   TYR   3           HH       TYR   3  -9.093  -7.044  -0.928
   31    H    GLY   4           H        GLY   4  -1.413  -4.225   3.515
   32   1HA   GLY   4          2HA       GLY   4   0.787  -3.534   3.467
   33   2HA   GLY   4          1HA       GLY   4   0.909  -4.764   2.214
   34    H    ASN   5           H        ASN   5  -1.083  -1.969   1.709
   35    HA   ASN   5           HA       ASN   5   0.991  -0.551   0.234
   36   1HB   ASN   5          2HB       ASN   5  -0.595  -2.316  -1.138
   37   2HB   ASN   5          1HB       ASN   5  -1.520  -0.824  -1.291
   38   1HD2  ASN   5          1HD2      ASN   5  -0.881   0.661  -2.711
   39   2HD2  ASN   5          2HD2      ASN   5   0.573   0.585  -3.641
   40    H    GLY   6           H        GLY   6  -0.545  -0.055   2.656
   41   1HA   GLY   6          2HA       GLY   6  -1.699   1.665   3.651
   42   2HA   GLY   6          1HA       GLY   6  -1.251   2.624   2.250
   43    H    VAL   7           H        VAL   7  -3.312  -0.255   2.530
   44    HA   VAL   7           HA       VAL   7  -5.663   1.342   1.843
   45    HB   VAL   7           HB       VAL   7  -4.636  -0.904   0.113
   46   1HG1  VAL   7          1HG1      VAL   7  -7.392   0.214   0.447
   47   2HG1  VAL   7          2HG1      VAL   7  -6.888  -1.476   0.420
   48   3HG1  VAL   7          3HG1      VAL   7  -6.881  -0.532  -1.070
   49   1HG2  VAL   7          1HG2      VAL   7  -4.255   0.673  -1.428
   50   2HG2  VAL   7          2HG2      VAL   7  -4.434   1.836  -0.117
   51   3HG2  VAL   7          3HG2      VAL   7  -5.818   1.437  -1.132
   52    H    HIS   8           H        HIS   8  -6.901   0.842   3.526
   53    HA   HIS   8           HA       HIS   8  -7.173  -1.996   4.212
   54   1HB   HIS   8          2HB       HIS   8  -8.392  -0.431   6.237
   55   2HB   HIS   8          1HB       HIS   8  -6.945  -1.420   6.364
   56    HD1  HIS   8          1HD       HIS   8  -7.787   1.612   7.496
   57    HD2  HIS   8          2HD       HIS   8  -4.819   0.462   4.828
   58    HE1  HIS   8          1HE       HIS   8  -6.100   3.472   7.538
   59    HE2  HIS   8          2HE       HIS   8  -4.396   2.832   5.794
   60    H    CYS   9           H        CYS   9  -9.205  -2.892   4.383
   61    HA   CYS   9           HA       CYS   9 -11.378  -1.204   3.376
   62   1HB   CYS   9          2HB       CYS   9 -10.355  -3.446   2.180
   63   2HB   CYS   9          1HB       CYS   9 -11.758  -4.078   3.038
   64    H    THR  10           H        THR  10 -11.698  -0.623   5.566
   65    HA   THR  10           HA       THR  10 -12.708  -2.706   7.351
   66    HB   THR  10           HB       THR  10 -12.351  -1.236   9.125
   67    HG1  THR  10          1HG       THR  10 -12.248   0.931   7.304
   68   1HG2  THR  10          1HG2      THR  10 -10.173  -0.374   8.975
   69   2HG2  THR  10          2HG2      THR  10 -10.300  -0.141   7.231
   70   3HG2  THR  10          3HG2      THR  10 -10.199  -1.771   7.897
   71    H    LYS  11           H        LYS  11 -14.556  -2.210   8.697
   72    HA   LYS  11           HA       LYS  11 -16.838  -2.156   8.747
   73   1HB   LYS  11          2HB       LYS  11 -17.633   0.053   9.002
   74   2HB   LYS  11          1HB       LYS  11 -15.953   0.058   9.522
   75   1HG   LYS  11          2HG       LYS  11 -15.243   1.175   7.597
   76   2HG   LYS  11          1HG       LYS  11 -16.748   0.847   6.745
   77   1HD   LYS  11          2HD       LYS  11 -17.949   2.353   8.198
   78   2HD   LYS  11          1HD       LYS  11 -16.514   2.586   9.200
   79   1HE   LYS  11          2HE       LYS  11 -17.009   3.527   6.391
   80   2HE   LYS  11          1HE       LYS  11 -16.635   4.490   7.820
   81   1HZ   LYS  11          1HZ       LYS  11 -14.687   4.368   6.499
   82   2HZ   LYS  11          2HZ       LYS  11 -14.803   2.689   6.338
   83   3HZ   LYS  11          3HZ       LYS  11 -14.425   3.370   7.839
   84    H    SER  12           H        SER  12 -15.929  -3.019   6.186
   85    HA   SER  12           HA       SER  12 -16.889  -3.630   4.212
   86   1HB   SER  12          2HB       SER  12 -19.098  -2.665   5.723
   87   2HB   SER  12          1HB       SER  12 -19.271  -2.083   4.071
   88    HG   SER  12           HG       SER  12 -18.740  -4.782   4.757
   89    H    GLY  13           H        GLY  13 -15.135  -1.365   4.487
   90   1HA   GLY  13          2HA       GLY  13 -15.643  -0.171   1.895
   91   2HA   GLY  13          1HA       GLY  13 -15.665   0.956   3.243
   92    H    CYS  14           H        CYS  14 -13.831   0.512   0.874
   93    HA   CYS  14           HA       CYS  14 -11.296  -0.055   2.193
   94   1HB   CYS  14          2HB       CYS  14 -12.165   0.256  -0.628
   95   2HB   CYS  14          1HB       CYS  14 -10.482   0.530  -0.213
   96    H    SER  15           H        SER  15  -9.786   1.341   2.660
   97    HA   SER  15           HA       SER  15 -10.088   4.135   1.826
   98   1HB   SER  15          2HB       SER  15  -9.747   4.945   4.120
   99   2HB   SER  15          1HB       SER  15 -11.213   3.971   4.008
  100    HG   SER  15           HG       SER  15 -10.303   2.427   5.178
  101    H    VAL  16           H        VAL  16  -8.121   5.431   2.477
  102    HA   VAL  16           HA       VAL  16  -5.720   3.746   2.593
  103    HB   VAL  16           HB       VAL  16  -6.125   6.038   0.670
  104   1HG1  VAL  16          1HG1      VAL  16  -3.738   4.587   1.621
  105   2HG1  VAL  16          2HG1      VAL  16  -3.904   6.237   1.038
  106   3HG1  VAL  16          3HG1      VAL  16  -3.832   4.901  -0.110
  107   1HG2  VAL  16          1HG2      VAL  16  -5.383   3.955  -0.839
  108   2HG2  VAL  16          2HG2      VAL  16  -7.067   4.394  -0.533
  109   3HG2  VAL  16          3HG2      VAL  16  -6.296   3.119   0.422
  110    H    ASN  17           H        ASN  17  -4.304   4.403   4.068
  111    HA   ASN  17           HA       ASN  17  -4.719   6.825   5.541
  112   1HB   ASN  17          2HB       ASN  17  -3.149   4.429   5.836
  113   2HB   ASN  17          1HB       ASN  17  -2.120   5.840   6.076
  114   1HD2  ASN  17          1HD2      ASN  17  -1.915   5.240   8.264
  115   2HD2  ASN  17          2HD2      ASN  17  -3.174   5.567   9.401
  116    H    TRP  18           H        TRP  18  -2.963   5.868   2.771
  117    HA   TRP  18           HA       TRP  18  -1.730   6.978   1.247
  118   1HB   TRP  18          2HB       TRP  18  -2.756   9.352   2.810
  119   2HB   TRP  18          1HB       TRP  18  -1.759   9.512   1.359
  120    HD1  TRP  18           HD       TRP  18  -5.301   9.113   2.388
  121    HE1  TRP  18          1HE       TRP  18  -6.769   8.570   0.348
  122    HE3  TRP  18          3HE       TRP  18  -1.629   8.070  -0.954
  123    HZ2  TRP  18          2HZ       TRP  18  -6.405   7.797  -2.342
  124    HZ3  TRP  18          3HZ       TRP  18  -2.255   7.433  -3.257
  125    HH2  TRP  18           HH       TRP  18  -4.601   7.289  -3.922
  126    H    GLY  19           H        GLY  19  -1.059   8.781   4.271
  127   1HA   GLY  19          2HA       GLY  19   1.655   9.072   3.734
  128   2HA   GLY  19          1HA       GLY  19   0.966   9.025   5.362
  129    H    GLU  20           H        GLU  20  -0.163   6.329   4.866
  130    HA   GLU  20           HA       GLU  20   2.102   4.762   5.698
  131   1HB   GLU  20          2HB       GLU  20  -0.819   4.395   5.495
  132   2HB   GLU  20          1HB       GLU  20   0.120   2.938   5.180
  133   1HG   GLU  20          2HG       GLU  20   0.784   4.552   7.584
  134   2HG   GLU  20          1HG       GLU  20  -0.683   3.574   7.601
  135    H    ALA  21           H        ALA  21   0.063   5.063   2.846
  136    HA   ALA  21           HA       ALA  21   1.271   2.954   1.355
  137   1HB   ALA  21          1HB       ALA  21  -0.017   3.754  -0.455
  138   2HB   ALA  21          2HB       ALA  21  -0.107   5.375   0.238
  139   3HB   ALA  21          3HB       ALA  21  -0.996   4.047   0.983
  140    H    PHE  22           H        PHE  22   1.679   6.423   1.629
  141    HA   PHE  22           HA       PHE  22   3.582   6.817  -0.401
  142   1HB   PHE  22          2HB       PHE  22   2.297   8.604   0.828
  143   2HB   PHE  22          1HB       PHE  22   3.329   8.320   2.225
  144    HD1  PHE  22          1HD       PHE  22   2.919  10.119  -0.808
  145    HD2  PHE  22          2HD       PHE  22   5.854   8.630   1.888
  146    HE1  PHE  22          1HE       PHE  22   4.552  11.726  -1.706
  147    HE2  PHE  22          2HE       PHE  22   7.492  10.234   0.996
  148    HZ   PHE  22           HZ       PHE  22   6.842  11.784  -0.803
  149    H    SER  23           H        SER  23   3.766   5.917   2.983
  150    HA   SER  23           HA       SER  23   6.624   5.880   3.134
  151   1HB   SER  23          2HB       SER  23   6.348   4.809   5.275
  152   2HB   SER  23          1HB       SER  23   5.097   6.042   5.136
  153    HG   SER  23           HG       SER  23   4.869   3.318   5.327
  154    H    ALA  24           H        ALA  24   4.168   3.676   2.068
  155    HA   ALA  24           HA       ALA  24   5.802   1.323   2.106
  156   1HB   ALA  24          1HB       ALA  24   3.966   0.211   1.261
  157   2HB   ALA  24          2HB       ALA  24   3.426   1.601   0.320
  158   3HB   ALA  24          3HB       ALA  24   3.193   1.576   2.067
  159    H    GLY  25           H        GLY  25   4.610   3.485  -0.456
  160   1HA   GLY  25          2HA       GLY  25   6.007   2.270  -2.571
  161   2HA   GLY  25          1HA       GLY  25   5.403   3.920  -2.561
  162    H    VAL  26           H        VAL  26   6.909   4.967  -0.439
  163    HA   VAL  26           HA       VAL  26   9.304   5.644  -1.776
  164    HB   VAL  26           HB       VAL  26   8.665   5.978   1.171
  165   1HG1  VAL  26          1HG1      VAL  26  10.294   7.867   0.999
  166   2HG1  VAL  26          2HG1      VAL  26  10.735   7.266  -0.600
  167   3HG1  VAL  26          3HG1      VAL  26  11.009   6.265   0.826
  168   1HG2  VAL  26          1HG2      VAL  26   8.474   8.266  -0.674
  169   2HG2  VAL  26          2HG2      VAL  26   7.479   7.832   0.716
  170   3HG2  VAL  26          3HG2      VAL  26   7.221   7.035  -0.836
  171    H    HIS  27           H        HIS  27   8.640   3.273   0.783
  172    HA   HIS  27           HA       HIS  27  11.339   2.736   1.393
  173   1HB   HIS  27          2HB       HIS  27   8.909   0.933   1.551
  174   2HB   HIS  27          1HB       HIS  27  10.487   0.526   2.215
  175    HD1  HIS  27          1HD       HIS  27   9.940   4.020   2.685
  176    HD2  HIS  27          2HD       HIS  27   8.753   0.562   4.653
  177    HE1  HIS  27          1HE       HIS  27   9.198   4.765   4.950
  178    HE2  HIS  27          2HE       HIS  27   8.394   2.675   6.103
  179    H    ARG  28           H        ARG  28   9.161   1.583  -1.098
  180    HA   ARG  28           HA       ARG  28  10.892  -0.416  -2.143
  181   1HB   ARG  28          2HB       ARG  28   8.379   0.918  -3.002
  182   2HB   ARG  28          1HB       ARG  28   9.339   0.138  -4.252
  183   1HG   ARG  28          2HG       ARG  28   8.691  -1.356  -1.755
  184   2HG   ARG  28          1HG       ARG  28   7.465  -1.177  -3.013
  185   1HD   ARG  28          2HD       ARG  28   9.990  -1.935  -4.166
  186   2HD   ARG  28          1HD       ARG  28   9.533  -3.064  -2.892
  187    HE   ARG  28           HE       ARG  28   8.243  -2.700  -5.443
  188   1HH1  ARG  28          1HH1      ARG  28   7.876  -3.872  -2.174
  189   2HH1  ARG  28          2HH1      ARG  28   6.588  -4.956  -2.577
  190   1HH2  ARG  28          1HH2      ARG  28   6.548  -4.123  -5.971
  191   2HH2  ARG  28          2HH2      ARG  28   5.833  -5.099  -4.731
  192    H    LEU  29           H        LEU  29  10.162   2.927  -3.165
  193    HA   LEU  29           HA       LEU  29  12.041   2.918  -5.293
  194   1HB   LEU  29          2HB       LEU  29  11.174   5.455  -4.012
  195   2HB   LEU  29          1HB       LEU  29  11.432   5.097  -5.708
  196    HG   LEU  29           HG       LEU  29   9.073   4.312  -4.021
  197   1HD1  LEU  29          1HD1      LEU  29   7.966   5.564  -6.011
  198   2HD1  LEU  29          2HD1      LEU  29   9.569   6.274  -6.200
  199   3HD1  LEU  29          3HD1      LEU  29   8.693   6.472  -4.684
  200   1HD2  LEU  29          1HD2      LEU  29   9.412   2.430  -5.375
  201   2HD2  LEU  29          2HD2      LEU  29   9.901   3.410  -6.758
  202   3HD2  LEU  29          3HD2      LEU  29   8.216   3.397  -6.238
  203    H    ALA  30           H        ALA  30  12.033   4.389  -2.119
  204    HA   ALA  30           HA       ALA  30  14.620   5.503  -2.272
  205   1HB   ALA  30          1HB       ALA  30  12.631   6.116  -0.768
  206   2HB   ALA  30          2HB       ALA  30  14.263   6.249  -0.110
  207   3HB   ALA  30          3HB       ALA  30  13.253   4.864   0.306
  208    H    ASN  31           H        ASN  31  13.792   2.246  -1.932
  209    HA   ASN  31           HA       ASN  31  15.919   1.585  -0.091
  210   1HB   ASN  31          2HB       ASN  31  13.973   0.146  -0.091
  211   2HB   ASN  31          1HB       ASN  31  14.172  -0.194  -1.810
  212   1HD2  ASN  31          1HD2      ASN  31  14.519  -2.340  -1.746
  213   2HD2  ASN  31          2HD2      ASN  31  15.833  -3.097  -0.919
  214    H    GLY  32           H        GLY  32  15.563   1.989  -3.501
  215   1HA   GLY  32          2HA       GLY  32  17.756   0.390  -4.336
  216   2HA   GLY  32          1HA       GLY  32  17.022   1.697  -5.253
  217    H    GLY  33           H        GLY  33  17.551   3.951  -4.285
  218   1HA   GLY  33          2HA       GLY  33  19.734   4.556  -2.759
  219   2HA   GLY  33          1HA       GLY  33  20.415   4.192  -4.338
  220    H    ASN  34           H        ASN  34  19.777   5.494  -6.146
  221    HA   ASN  34           HA       ASN  34  18.317   7.942  -5.619
  222   1HB   ASN  34          2HB       ASN  34  20.175   9.389  -6.413
  223   2HB   ASN  34          1HB       ASN  34  20.535   8.587  -4.887
  224   1HD2  ASN  34          1HD2      ASN  34  22.232   7.225  -4.758
  225   2HD2  ASN  34          2HD2      ASN  34  23.302   6.880  -6.069
  226    H    GLY  35           H        GLY  35  20.285   6.074  -7.903
  227   1HA   GLY  35          2HA       GLY  35  18.259   6.357  -9.932
  228   2HA   GLY  35          1HA       GLY  35  19.729   7.252 -10.292
  229    H    PHE  36           H        PHE  36  18.575   4.015  -9.405
  230    HA   PHE  36           HA       PHE  36  20.155   2.801 -11.477
  231   1HB   PHE  36          2HB       PHE  36  20.849   2.260  -8.576
  232   2HB   PHE  36          1HB       PHE  36  21.414   1.292  -9.933
  233    HD1  PHE  36          1HD       PHE  36  22.009   4.154  -7.897
  234    HD2  PHE  36          2HD       PHE  36  22.825   2.450 -11.709
  235    HE1  PHE  36          1HE       PHE  36  23.930   5.667  -8.157
  236    HE2  PHE  36          2HE       PHE  36  24.749   3.961 -11.976
  237    HZ   PHE  36           HZ       PHE  36  25.304   5.572 -10.198
  238    H    TRP  37           H        TRP  37  17.771   2.448 -11.822
  239    HA   TRP  37           HA       TRP  37  17.115  -0.236 -11.091
  240   1HB   TRP  37          2HB       TRP  37  16.394   1.018  -9.053
  241   2HB   TRP  37          1HB       TRP  37  15.283   1.943 -10.058
  242    HD1  TRP  37           HD       TRP  37  15.808  -1.879 -10.260
  243    HE1  TRP  37          1HE       TRP  37  13.563  -3.022  -9.733
  244    HE3  TRP  37          3HE       TRP  37  13.062   2.254  -9.024
  245    HZ2  TRP  37          2HZ       TRP  37  10.972  -2.272  -8.901
  246    HZ3  TRP  37          3HZ       TRP  37  10.708   1.954  -8.375
  247    HH2  TRP  37           HH       TRP  37   9.686  -0.262  -8.316
  Start of MODEL   17
    1    HA   LYS   1           HA       LYS   1  -6.834  -6.476   6.598
    2   1HB   LYS   1          2HB       LYS   1  -7.616  -7.032   4.265
    3   2HB   LYS   1          1HB       LYS   1  -8.806  -7.310   5.527
    4   1HG   LYS   1          2HG       LYS   1  -9.959  -5.272   4.940
    5   2HG   LYS   1          1HG       LYS   1  -8.715  -4.879   3.753
    6   1HD   LYS   1          2HD       LYS   1 -10.546  -5.789   2.546
    7   2HD   LYS   1          1HD       LYS   1  -9.288  -7.023   2.580
    8   1HE   LYS   1          2HE       LYS   1 -11.033  -8.342   3.171
    9   2HE   LYS   1          1HE       LYS   1 -10.639  -7.736   4.777
   10   1HZ   LYS   1          1HZ       LYS   1 -12.309  -5.864   4.086
   11   2HZ   LYS   1          2HZ       LYS   1 -12.873  -7.336   4.697
   12   3HZ   LYS   1          3HZ       LYS   1 -12.893  -7.049   3.031
   13    H    TYR   2           H        TYR   2  -4.883  -5.442   6.427
   14    HA   TYR   2           HA       TYR   2  -4.557  -3.163   4.693
   15   1HB   TYR   2          2HB       TYR   2  -3.160  -4.148   6.888
   16   2HB   TYR   2          1HB       TYR   2  -2.061  -4.374   5.531
   17    HD1  TYR   2          1HD       TYR   2  -0.903  -2.511   4.611
   18    HD2  TYR   2          2HD       TYR   2  -4.153  -1.912   7.244
   19    HE1  TYR   2          1HE       TYR   2  -0.371  -0.131   4.697
   20    HE2  TYR   2          2HE       TYR   2  -3.609   0.485   7.380
   21    HH   TYR   2           HH       TYR   2  -2.453   2.174   6.182
   22    H    TYR   3           H        TYR   3  -3.590  -3.129   2.711
   23    HA   TYR   3           HA       TYR   3  -3.054  -5.770   1.493
   24   1HB   TYR   3          2HB       TYR   3  -4.080  -3.165   0.407
   25   2HB   TYR   3          1HB       TYR   3  -3.302  -4.312  -0.676
   26    HD1  TYR   3          1HD       TYR   3  -4.194  -6.810  -0.338
   27    HD2  TYR   3          2HD       TYR   3  -6.366  -3.288   0.563
   28    HE1  TYR   3          1HE       TYR   3  -6.298  -8.071  -0.530
   29    HE2  TYR   3          2HE       TYR   3  -8.476  -4.523   0.364
   30    HH   TYR   3           HH       TYR   3  -9.161  -6.789  -0.995
   31    H    GLY   4           H        GLY   4  -1.127  -4.463   3.135
   32   1HA   GLY   4          2HA       GLY   4   1.029  -3.642   3.146
   33   2HA   GLY   4          1HA       GLY   4   1.235  -4.796   1.836
   34    H    ASN   5           H        ASN   5  -0.923  -2.111   1.481
   35    HA   ASN   5           HA       ASN   5   1.041  -0.485   0.070
   36   1HB   ASN   5          2HB       ASN   5  -0.716  -2.245  -1.298
   37   2HB   ASN   5          1HB       ASN   5  -1.342  -0.618  -1.546
   38   1HD2  ASN   5          1HD2      ASN   5  -0.248   0.781  -2.824
   39   2HD2  ASN   5          2HD2      ASN   5   1.176   0.368  -3.710
   40    H    GLY   6           H        GLY   6  -0.365  -0.136   2.534
   41   1HA   GLY   6          2HA       GLY   6  -1.653   1.409   3.644
   42   2HA   GLY   6          1HA       GLY   6  -1.285   2.478   2.301
   43    H    VAL   7           H        VAL   7  -3.183  -0.524   2.452
   44    HA   VAL   7           HA       VAL   7  -5.600   0.999   1.812
   45    HB   VAL   7           HB       VAL   7  -4.560  -1.262   0.108
   46   1HG1  VAL   7          1HG1      VAL   7  -6.719  -1.081  -1.077
   47   2HG1  VAL   7          2HG1      VAL   7  -7.274   0.023   0.187
   48   3HG1  VAL   7          3HG1      VAL   7  -6.900  -1.652   0.581
   49   1HG2  VAL   7          1HG2      VAL   7  -4.091   0.303  -1.412
   50   2HG2  VAL   7          2HG2      VAL   7  -4.334   1.490  -0.130
   51   3HG2  VAL   7          3HG2      VAL   7  -5.668   1.066  -1.197
   52    H    HIS   8           H        HIS   8  -6.813   0.502   3.474
   53    HA   HIS   8           HA       HIS   8  -7.106  -2.335   4.152
   54   1HB   HIS   8          2HB       HIS   8  -8.091  -0.867   6.328
   55   2HB   HIS   8          1HB       HIS   8  -6.603  -1.801   6.275
   56    HD1  HIS   8          1HD       HIS   8  -7.502   1.223   7.521
   57    HD2  HIS   8          2HD       HIS   8  -4.638   0.159   4.706
   58    HE1  HIS   8          1HE       HIS   8  -5.865   3.133   7.474
   59    HE2  HIS   8          2HE       HIS   8  -4.249   2.544   5.636
   60    H    CYS   9           H        CYS   9  -9.184  -3.108   4.547
   61    HA   CYS   9           HA       CYS   9 -11.285  -1.282   3.655
   62   1HB   CYS   9          2HB       CYS   9 -11.395  -4.264   3.335
   63   2HB   CYS   9          1HB       CYS   9 -12.423  -3.053   2.582
   64    H    THR  10           H        THR  10 -11.731  -0.594   5.704
   65    HA   THR  10           HA       THR  10 -12.654  -2.596   7.630
   66    HB   THR  10           HB       THR  10 -12.471  -0.927   9.309
   67    HG1  THR  10          1HG       THR  10 -12.094   0.955   7.224
   68   1HG2  THR  10          1HG2      THR  10 -10.238  -0.473   9.371
   69   2HG2  THR  10          2HG2      THR  10 -10.157  -0.077   7.654
   70   3HG2  THR  10          3HG2      THR  10 -10.274  -1.761   8.167
   71    H    LYS  11           H        LYS  11 -14.625  -2.931   8.098
   72    HA   LYS  11           HA       LYS  11 -16.896  -3.009   7.602
   73   1HB   LYS  11          2HB       LYS  11 -16.734  -0.410   9.074
   74   2HB   LYS  11          1HB       LYS  11 -17.935  -1.687   9.237
   75   1HG   LYS  11          2HG       LYS  11 -15.936  -3.127  10.018
   76   2HG   LYS  11          1HG       LYS  11 -15.133  -1.575  10.262
   77   1HD   LYS  11          2HD       LYS  11 -17.471  -1.075  11.485
   78   2HD   LYS  11          1HD       LYS  11 -17.363  -2.818  11.748
   79   1HE   LYS  11          2HE       LYS  11 -14.901  -2.227  12.451
   80   2HE   LYS  11          1HE       LYS  11 -15.593  -0.630  12.731
   81   1HZ   LYS  11          1HZ       LYS  11 -17.382  -2.116  13.975
   82   2HZ   LYS  11          2HZ       LYS  11 -15.991  -1.537  14.745
   83   3HZ   LYS  11          3HZ       LYS  11 -16.036  -3.125  14.167
   84    H    SER  12           H        SER  12 -15.916   0.408   7.136
   85    HA   SER  12           HA       SER  12 -18.205   0.899   5.468
   86   1HB   SER  12          2HB       SER  12 -17.399   3.169   5.338
   87   2HB   SER  12          1HB       SER  12 -17.196   2.610   6.998
   88    HG   SER  12           HG       SER  12 -15.361   3.704   5.666
   89    H    GLY  13           H        GLY  13 -15.488  -0.767   4.784
   90   1HA   GLY  13          2HA       GLY  13 -15.332  -1.511   2.450
   91   2HA   GLY  13          1HA       GLY  13 -15.512   0.172   1.984
   92    H    CYS  14           H        CYS  14 -13.578  -0.163   0.737
   93    HA   CYS  14           HA       CYS  14 -11.099  -0.449   2.235
   94   1HB   CYS  14          2HB       CYS  14 -11.501  -0.152  -0.729
   95   2HB   CYS  14          1HB       CYS  14 -10.003  -0.566   0.098
   96    H    SER  15           H        SER  15  -9.728   1.052   2.666
   97    HA   SER  15           HA       SER  15 -10.048   3.705   1.464
   98   1HB   SER  15          2HB       SER  15 -10.238   3.028   4.380
   99   2HB   SER  15          1HB       SER  15  -9.561   4.581   3.893
  100    HG   SER  15           HG       SER  15 -11.529   4.901   2.683
  101    H    VAL  16           H        VAL  16  -8.124   5.146   2.221
  102    HA   VAL  16           HA       VAL  16  -5.715   3.477   2.474
  103    HB   VAL  16           HB       VAL  16  -6.072   5.745   0.512
  104   1HG1  VAL  16          1HG1      VAL  16  -3.872   5.996   0.954
  105   2HG1  VAL  16          2HG1      VAL  16  -3.729   4.644  -0.166
  106   3HG1  VAL  16          3HG1      VAL  16  -3.692   4.360   1.573
  107   1HG2  VAL  16          1HG2      VAL  16  -5.248   3.691  -0.967
  108   2HG2  VAL  16          2HG2      VAL  16  -6.955   4.044  -0.677
  109   3HG2  VAL  16          3HG2      VAL  16  -6.126   2.812   0.287
  110    H    ASN  17           H        ASN  17  -4.320   4.162   3.966
  111    HA   ASN  17           HA       ASN  17  -4.829   6.560   5.449
  112   1HB   ASN  17          2HB       ASN  17  -2.989   4.276   5.637
  113   2HB   ASN  17          1HB       ASN  17  -2.288   5.802   6.172
  114   1HD2  ASN  17          1HD2      ASN  17  -2.242   4.649   8.238
  115   2HD2  ASN  17          2HD2      ASN  17  -3.646   4.704   9.245
  116    H    TRP  18           H        TRP  18  -2.993   5.685   2.703
  117    HA   TRP  18           HA       TRP  18  -1.755   6.842   1.218
  118   1HB   TRP  18          2HB       TRP  18  -2.921   9.162   2.754
  119   2HB   TRP  18          1HB       TRP  18  -1.870   9.375   1.347
  120    HD1  TRP  18           HD       TRP  18  -5.432   8.883   2.204
  121    HE1  TRP  18          1HE       TRP  18  -6.792   8.285   0.105
  122    HE3  TRP  18          3HE       TRP  18  -1.584   7.876  -0.940
  123    HZ2  TRP  18          2HZ       TRP  18  -6.279   7.483  -2.556
  124    HZ3  TRP  18          3HZ       TRP  18  -2.083   7.193  -3.258
  125    HH2  TRP  18           HH       TRP  18  -4.389   6.988  -4.036
  126    H    GLY  19           H        GLY  19  -1.261   8.454   4.375
  127   1HA   GLY  19          2HA       GLY  19   1.469   8.910   3.892
  128   2HA   GLY  19          1HA       GLY  19   0.719   8.835   5.492
  129    H    GLU  20           H        GLU  20  -0.309   6.090   4.871
  130    HA   GLU  20           HA       GLU  20   1.969   4.596   5.808
  131   1HB   GLU  20          2HB       GLU  20  -0.915   4.147   5.503
  132   2HB   GLU  20          1HB       GLU  20   0.049   2.726   5.103
  133   1HG   GLU  20          2HG       GLU  20   0.659   4.188   7.620
  134   2HG   GLU  20          1HG       GLU  20  -0.790   3.186   7.554
  135    H    ALA  21           H        ALA  21   0.049   4.842   2.877
  136    HA   ALA  21           HA       ALA  21   1.392   2.820   1.397
  137   1HB   ALA  21          1HB       ALA  21  -0.796   3.499   0.731
  138   2HB   ALA  21          2HB       ALA  21   0.319   3.990  -0.547
  139   3HB   ALA  21          3HB       ALA  21  -0.287   5.182   0.604
  140    H    PHE  22           H        PHE  22   1.737   6.282   1.804
  141    HA   PHE  22           HA       PHE  22   3.662   6.784  -0.187
  142   1HB   PHE  22          2HB       PHE  22   2.403   8.543   1.042
  143   2HB   PHE  22          1HB       PHE  22   3.287   8.140   2.511
  144    HD1  PHE  22          1HD       PHE  22   5.831   8.429   2.460
  145    HD2  PHE  22          2HD       PHE  22   3.228  10.108  -0.457
  146    HE1  PHE  22          1HE       PHE  22   7.585  10.034   1.822
  147    HE2  PHE  22          2HE       PHE  22   4.979  11.712  -1.103
  148    HZ   PHE  22           HZ       PHE  22   7.160  11.677   0.038
  149    H    SER  23           H        SER  23   3.797   5.673   3.125
  150    HA   SER  23           HA       SER  23   6.654   5.641   3.343
  151   1HB   SER  23          2HB       SER  23   4.380   4.531   4.946
  152   2HB   SER  23          1HB       SER  23   5.995   3.881   5.221
  153    HG   SER  23           HG       SER  23   4.947   6.229   6.027
  154    H    ALA  24           H        ALA  24   4.242   3.526   2.048
  155    HA   ALA  24           HA       ALA  24   5.861   1.166   1.939
  156   1HB   ALA  24          1HB       ALA  24   3.841   0.294   1.579
  157   2HB   ALA  24          2HB       ALA  24   3.834   1.046  -0.018
  158   3HB   ALA  24          3HB       ALA  24   3.157   1.905   1.363
  159    H    GLY  25           H        GLY  25   4.709   3.512  -0.447
  160   1HA   GLY  25          2HA       GLY  25   6.152   2.499  -2.639
  161   2HA   GLY  25          1HA       GLY  25   5.494   4.120  -2.513
  162    H    VAL  26           H        VAL  26   7.025   4.958  -0.225
  163    HA   VAL  26           HA       VAL  26   9.381   5.832  -1.547
  164    HB   VAL  26           HB       VAL  26   8.737   5.873   1.417
  165   1HG1  VAL  26          1HG1      VAL  26  11.126   6.071   1.033
  166   2HG1  VAL  26          2HG1      VAL  26  10.463   7.626   1.538
  167   3HG1  VAL  26          3HG1      VAL  26  10.848   7.339  -0.161
  168   1HG2  VAL  26          1HG2      VAL  26   7.253   7.130  -0.289
  169   2HG2  VAL  26          2HG2      VAL  26   8.628   8.227  -0.425
  170   3HG2  VAL  26          3HG2      VAL  26   7.843   7.984   1.136
  171    H    HIS  27           H        HIS  27   8.770   3.336   0.900
  172    HA   HIS  27           HA       HIS  27  11.449   2.648   1.376
  173   1HB   HIS  27          2HB       HIS  27   8.933   0.963   1.512
  174   2HB   HIS  27          1HB       HIS  27  10.505   0.425   2.090
  175    HD1  HIS  27          1HD       HIS  27   9.974   3.945   2.773
  176    HD2  HIS  27          2HD       HIS  27   9.052   0.344   4.624
  177    HE1  HIS  27          1HE       HIS  27   9.384   4.534   5.131
  178    HE2  HIS  27          2HE       HIS  27   8.731   2.358   6.215
  179    H    ARG  28           H        ARG  28   9.100   1.494  -0.996
  180    HA   ARG  28           HA       ARG  28  10.900  -0.374  -2.205
  181   1HB   ARG  28          2HB       ARG  28   8.583  -0.865  -2.360
  182   2HB   ARG  28          1HB       ARG  28   8.201   0.737  -2.967
  183   1HG   ARG  28          2HG       ARG  28   7.994  -0.685  -4.801
  184   2HG   ARG  28          1HG       ARG  28   9.553   0.110  -5.022
  185   1HD   ARG  28          2HD       ARG  28   9.747  -2.348  -3.473
  186   2HD   ARG  28          1HD       ARG  28   9.085  -2.609  -5.087
  187    HE   ARG  28           HE       ARG  28  11.427  -0.962  -5.079
  188   1HH1  ARG  28          1HH1      ARG  28  10.280  -4.257  -5.053
  189   2HH1  ARG  28          2HH1      ARG  28  11.708  -4.893  -5.796
  190   1HH2  ARG  28          1HH2      ARG  28  13.304  -1.795  -6.061
  191   2HH2  ARG  28          2HH2      ARG  28  13.427  -3.495  -6.369
  192    H    LEU  29           H        LEU  29   9.817   2.916  -2.970
  193    HA   LEU  29           HA       LEU  29  11.216   3.087  -5.445
  194   1HB   LEU  29          2HB       LEU  29   9.317   4.497  -5.129
  195   2HB   LEU  29          1HB       LEU  29   9.976   5.157  -3.646
  196    HG   LEU  29           HG       LEU  29  11.621   6.421  -4.838
  197   1HD1  LEU  29          1HD1      LEU  29  11.511   6.337  -7.416
  198   2HD1  LEU  29          2HD1      LEU  29  10.778   4.752  -7.176
  199   3HD1  LEU  29          3HD1      LEU  29  12.399   5.076  -6.561
  200   1HD2  LEU  29          1HD2      LEU  29  10.014   7.585  -6.572
  201   2HD2  LEU  29          2HD2      LEU  29   9.752   7.730  -4.834
  202   3HD2  LEU  29          3HD2      LEU  29   8.806   6.577  -5.776
  203    H    ALA  30           H        ALA  30  11.714   4.736  -2.364
  204    HA   ALA  30           HA       ALA  30  14.353   5.596  -3.002
  205   1HB   ALA  30          1HB       ALA  30  12.421   6.248  -1.135
  206   2HB   ALA  30          2HB       ALA  30  14.059   6.905  -1.215
  207   3HB   ALA  30          3HB       ALA  30  13.711   5.526  -0.169
  208    H    ASN  31           H        ASN  31  13.057   3.239  -0.684
  209    HA   ASN  31           HA       ASN  31  14.044   1.539   0.467
  210   1HB   ASN  31          2HB       ASN  31  14.790  -0.200  -0.941
  211   2HB   ASN  31          1HB       ASN  31  13.706   0.746  -1.945
  212   1HD2  ASN  31          1HD2      ASN  31  14.471   1.805  -3.705
  213   2HD2  ASN  31          2HD2      ASN  31  16.090   1.648  -4.286
  214    H    GLY  32           H        GLY  32  15.481   4.033   0.646
  215   1HA   GLY  32          2HA       GLY  32  17.873   3.069   1.839
  216   2HA   GLY  32          1HA       GLY  32  18.228   3.851   0.306
  217    H    GLY  33           H        GLY  33  17.699   6.096   0.055
  218   1HA   GLY  33          2HA       GLY  33  16.557   7.916   1.606
  219   2HA   GLY  33          1HA       GLY  33  17.972   7.541   2.578
  220    H    ASN  34           H        ASN  34  16.751   9.253  -0.129
  221    HA   ASN  34           HA       ASN  34  17.696  10.605  -1.705
  222   1HB   ASN  34          2HB       ASN  34  19.329  12.240  -0.786
  223   2HB   ASN  34          1HB       ASN  34  17.903  12.043   0.228
  224   1HD2  ASN  34          1HD2      ASN  34  18.106  11.218   2.253
  225   2HD2  ASN  34          2HD2      ASN  34  19.629  10.899   3.006
  226    H    GLY  35           H        GLY  35  18.449   8.741  -2.923
  227   1HA   GLY  35          2HA       GLY  35  21.101   7.758  -2.642
  228   2HA   GLY  35          1HA       GLY  35  20.050   7.509  -4.026
  229    H    PHE  36           H        PHE  36  20.822   8.280  -5.860
  230    HA   PHE  36           HA       PHE  36  21.903  10.922  -6.069
  231   1HB   PHE  36          2HB       PHE  36  23.720   8.624  -5.811
  232   2HB   PHE  36          1HB       PHE  36  24.035   9.624  -7.223
  233    HD1  PHE  36          1HD       PHE  36  24.818   9.159  -3.875
  234    HD2  PHE  36          2HD       PHE  36  23.980  12.241  -6.688
  235    HE1  PHE  36          1HE       PHE  36  26.010  10.775  -2.453
  236    HE2  PHE  36          2HE       PHE  36  25.171  13.862  -5.272
  237    HZ   PHE  36           HZ       PHE  36  26.187  13.131  -3.151
  238    H    TRP  37           H        TRP  37  22.706   8.035  -7.975
  239    HA   TRP  37           HA       TRP  37  22.241   7.440 -10.119
  240   1HB   TRP  37          2HB       TRP  37  19.756   8.586  -9.107
  241   2HB   TRP  37          1HB       TRP  37  19.910   8.767 -10.850
  242    HD1  TRP  37           HD       TRP  37  20.702   6.266 -12.083
  243    HE1  TRP  37          1HE       TRP  37  19.612   3.972 -11.665
  244    HE3  TRP  37          3HE       TRP  37  18.503   7.222  -7.568
  245    HZ2  TRP  37          2HZ       TRP  37  18.029   2.733  -9.684
  246    HZ3  TRP  37          3HZ       TRP  37  17.218   5.428  -6.479
  247    HH2  TRP  37           HH       TRP  37  16.987   3.231  -7.517
  Start of MODEL   18
    1    HA   LYS   1           HA       LYS   1  -7.306  -5.939   7.523
    2   1HB   LYS   1          2HB       LYS   1  -7.532  -7.043   5.292
    3   2HB   LYS   1          1HB       LYS   1  -9.006  -7.100   6.250
    4   1HG   LYS   1          2HG       LYS   1  -9.749  -5.052   4.949
    5   2HG   LYS   1          1HG       LYS   1  -8.407  -5.395   3.857
    6   1HD   LYS   1          2HD       LYS   1  -9.953  -6.651   2.782
    7   2HD   LYS   1          1HD       LYS   1  -9.544  -7.840   4.023
    8   1HE   LYS   1          2HE       LYS   1 -11.383  -7.005   5.412
    9   2HE   LYS   1          1HE       LYS   1 -11.799  -5.848   4.150
   10   1HZ   LYS   1          1HZ       LYS   1 -13.084  -8.030   4.253
   11   2HZ   LYS   1          2HZ       LYS   1 -11.701  -8.738   3.583
   12   3HZ   LYS   1          3HZ       LYS   1 -12.519  -7.519   2.742
   13    H    TYR   2           H        TYR   2  -5.304  -5.033   7.371
   14    HA   TYR   2           HA       TYR   2  -4.800  -2.882   5.529
   15   1HB   TYR   2          2HB       TYR   2  -3.636  -3.690   7.912
   16   2HB   TYR   2          1HB       TYR   2  -2.425  -4.121   6.702
   17    HD1  TYR   2          1HD       TYR   2  -4.517  -1.391   7.931
   18    HD2  TYR   2          2HD       TYR   2  -1.088  -2.437   5.694
   19    HE1  TYR   2          1HE       TYR   2  -3.866   0.990   7.826
   20    HE2  TYR   2          2HE       TYR   2  -0.427  -0.098   5.541
   21    HH   TYR   2           HH       TYR   2  -2.378   2.411   6.126
   22    H    TYR   3           H        TYR   3  -3.647  -3.023   3.614
   23    HA   TYR   3           HA       TYR   3  -3.080  -5.771   2.710
   24   1HB   TYR   3          2HB       TYR   3  -3.874  -3.258   1.249
   25   2HB   TYR   3          1HB       TYR   3  -3.038  -4.551   0.392
   26    HD1  TYR   3          1HD       TYR   3  -4.094  -6.935   0.680
   27    HD2  TYR   3          2HD       TYR   3  -6.175  -3.307   1.363
   28    HE1  TYR   3          1HE       TYR   3  -6.233  -8.113   0.374
   29    HE2  TYR   3          2HE       TYR   3  -8.322  -4.451   1.057
   30    HH   TYR   3           HH       TYR   3  -8.889  -6.940  -0.386
   31    H    GLY   4           H        GLY   4  -1.310  -4.324   4.430
   32   1HA   GLY   4          2HA       GLY   4   0.865  -3.594   4.616
   33   2HA   GLY   4          1HA       GLY   4   1.171  -4.862   3.434
   34    H    ASN   5           H        ASN   5  -0.840  -2.178   2.576
   35    HA   ASN   5           HA       ASN   5   1.350  -0.739   1.290
   36   1HB   ASN   5          2HB       ASN   5  -0.779  -2.288  -0.115
   37   2HB   ASN   5          1HB       ASN   5  -0.417  -0.688  -0.754
   38   1HD2  ASN   5          1HD2      ASN   5   0.290  -3.847  -1.080
   39   2HD2  ASN   5          2HD2      ASN   5   1.879  -3.735  -1.747
   40    H    GLY   6           H        GLY   6  -0.386  -0.195   3.539
   41   1HA   GLY   6          2HA       GLY   6  -1.716   1.486   4.366
   42   2HA   GLY   6          1HA       GLY   6  -1.152   2.439   3.003
   43    H    VAL   7           H        VAL   7  -3.122  -0.515   3.092
   44    HA   VAL   7           HA       VAL   7  -5.401   1.001   2.022
   45    HB   VAL   7           HB       VAL   7  -4.216  -1.447   0.703
   46   1HG1  VAL   7          1HG1      VAL   7  -6.592  -1.781   0.844
   47   2HG1  VAL   7          2HG1      VAL   7  -6.191  -1.303  -0.804
   48   3HG1  VAL   7          3HG1      VAL   7  -6.888  -0.128   0.320
   49   1HG2  VAL   7          1HG2      VAL   7  -5.098   0.989  -0.734
   50   2HG2  VAL   7          2HG2      VAL   7  -3.781  -0.127  -1.107
   51   3HG2  VAL   7          3HG2      VAL   7  -3.595   1.074   0.174
   52    H    HIS   8           H        HIS   8  -6.779   0.690   3.705
   53    HA   HIS   8           HA       HIS   8  -7.172  -2.087   4.558
   54   1HB   HIS   8          2HB       HIS   8  -8.529  -0.336   6.344
   55   2HB   HIS   8          1HB       HIS   8  -7.163  -1.388   6.679
   56    HD1  HIS   8          1HD       HIS   8  -7.881   1.696   7.629
   57    HD2  HIS   8          2HD       HIS   8  -4.840   0.321   5.161
   58    HE1  HIS   8          1HE       HIS   8  -6.083   3.444   7.748
   59    HE2  HIS   8          2HE       HIS   8  -4.338   2.688   6.102
   60    H    CYS   9           H        CYS   9  -9.139  -3.028   4.369
   61    HA   CYS   9           HA       CYS   9 -11.204  -1.391   3.104
   62   1HB   CYS   9          2HB       CYS   9 -10.092  -3.799   2.325
   63   2HB   CYS   9          1HB       CYS   9 -11.661  -4.253   2.983
   64    H    THR  10           H        THR  10 -11.764  -0.562   5.147
   65    HA   THR  10           HA       THR  10 -13.061  -2.381   7.022
   66    HB   THR  10           HB       THR  10 -12.928  -0.666   8.624
   67    HG1  THR  10          1HG       THR  10 -12.318   1.216   6.604
   68   1HG2  THR  10          1HG2      THR  10 -10.625  -1.466   7.675
   69   2HG2  THR  10          2HG2      THR  10 -10.715  -0.126   8.818
   70   3HG2  THR  10          3HG2      THR  10 -10.527   0.197   7.093
   71    H    LYS  11           H        LYS  11 -14.857  -0.747   8.194
   72    HA   LYS  11           HA       LYS  11 -17.126  -0.505   8.116
   73   1HB   LYS  11          2HB       LYS  11 -15.699   1.606   6.879
   74   2HB   LYS  11          1HB       LYS  11 -17.211   1.414   6.005
   75   1HG   LYS  11          2HG       LYS  11 -18.471   2.085   7.746
   76   2HG   LYS  11          1HG       LYS  11 -17.373   1.405   8.948
   77   1HD   LYS  11          2HD       LYS  11 -16.112   3.289   9.063
   78   2HD   LYS  11          1HD       LYS  11 -16.350   3.682   7.359
   79   1HE   LYS  11          2HE       LYS  11 -18.875   3.933   8.496
   80   2HE   LYS  11          1HE       LYS  11 -17.781   4.617   9.697
   81   1HZ   LYS  11          1HZ       LYS  11 -18.094   6.439   8.416
   82   2HZ   LYS  11          2HZ       LYS  11 -18.414   5.556   7.009
   83   3HZ   LYS  11          3HZ       LYS  11 -16.818   5.765   7.531
   84    H    SER  12           H        SER  12 -16.719   0.265   4.716
   85    HA   SER  12           HA       SER  12 -17.997  -2.214   3.898
   86   1HB   SER  12          2HB       SER  12 -19.589  -0.545   2.493
   87   2HB   SER  12          1HB       SER  12 -20.040  -1.220   4.059
   88    HG   SER  12           HG       SER  12 -19.902   1.289   3.476
   89    H    GLY  13           H        GLY  13 -15.443  -0.612   3.452
   90   1HA   GLY  13          2HA       GLY  13 -15.126  -1.291   0.714
   91   2HA   GLY  13          1HA       GLY  13 -15.316   0.446   0.890
   92    H    CYS  14           H        CYS  14 -13.077   0.062  -0.173
   93    HA   CYS  14           HA       CYS  14 -11.005  -0.413   1.823
   94   1HB   CYS  14          2HB       CYS  14 -10.982  -0.260  -1.152
   95   2HB   CYS  14          1HB       CYS  14  -9.499  -0.079  -0.225
   96    H    SER  15           H        SER  15  -9.543   0.997   2.486
   97    HA   SER  15           HA       SER  15  -9.725   3.763   1.520
   98   1HB   SER  15          2HB       SER  15  -9.614   3.156   4.476
   99   2HB   SER  15          1HB       SER  15  -9.943   4.698   3.690
  100    HG   SER  15           HG       SER  15 -11.872   3.799   4.416
  101    H    VAL  16           H        VAL  16  -7.849   5.080   2.200
  102    HA   VAL  16           HA       VAL  16  -5.487   3.413   2.752
  103    HB   VAL  16           HB       VAL  16  -5.654   5.638   0.714
  104   1HG1  VAL  16          1HG1      VAL  16  -3.465   5.826   1.107
  105   2HG1  VAL  16          2HG1      VAL  16  -3.304   4.272   0.297
  106   3HG1  VAL  16          3HG1      VAL  16  -3.417   4.349   2.053
  107   1HG2  VAL  16          1HG2      VAL  16  -6.514   3.947  -0.525
  108   2HG2  VAL  16          2HG2      VAL  16  -5.812   2.700   0.510
  109   3HG2  VAL  16          3HG2      VAL  16  -4.803   3.528  -0.677
  110    H    ASN  17           H        ASN  17  -4.219   4.126   4.337
  111    HA   ASN  17           HA       ASN  17  -4.780   6.514   5.802
  112   1HB   ASN  17          2HB       ASN  17  -2.900   4.259   5.982
  113   2HB   ASN  17          1HB       ASN  17  -2.228   5.782   6.559
  114   1HD2  ASN  17          1HD2      ASN  17  -2.620   3.621   8.228
  115   2HD2  ASN  17          2HD2      ASN  17  -3.870   3.991   9.363
  116    H    TRP  18           H        TRP  18  -2.697   5.608   3.215
  117    HA   TRP  18           HA       TRP  18  -1.471   6.757   1.731
  118   1HB   TRP  18          2HB       TRP  18  -2.680   9.133   3.152
  119   2HB   TRP  18          1HB       TRP  18  -1.580   9.292   1.777
  120    HD1  TRP  18           HD       TRP  18  -5.180   8.729   2.545
  121    HE1  TRP  18          1HE       TRP  18  -6.459   8.041   0.422
  122    HE3  TRP  18          3HE       TRP  18  -1.217   7.836  -0.509
  123    HZ2  TRP  18          2HZ       TRP  18  -5.855   7.227  -2.217
  124    HZ3  TRP  18          3HZ       TRP  18  -1.640   7.103  -2.828
  125    HH2  TRP  18           HH       TRP  18  -3.915   6.802  -3.653
  126    H    GLY  19           H        GLY  19  -0.963   8.655   4.746
  127   1HA   GLY  19          2HA       GLY  19   1.775   8.923   4.374
  128   2HA   GLY  19          1HA       GLY  19   1.000   8.871   5.960
  129    H    GLU  20           H        GLU  20  -0.099   6.175   5.436
  130    HA   GLU  20           HA       GLU  20   2.140   4.623   6.352
  131   1HB   GLU  20          2HB       GLU  20  -0.739   4.323   6.252
  132   2HB   GLU  20          1HB       GLU  20   0.038   2.867   5.627
  133   1HG   GLU  20          2HG       GLU  20   0.957   4.058   8.210
  134   2HG   GLU  20          1HG       GLU  20  -0.501   3.069   8.155
  135    H    ALA  21           H        ALA  21   0.143   4.793   3.450
  136    HA   ALA  21           HA       ALA  21   1.482   2.734   2.007
  137   1HB   ALA  21          1HB       ALA  21   0.321   3.664   0.061
  138   2HB   ALA  21          2HB       ALA  21  -0.144   5.067   1.020
  139   3HB   ALA  21          3HB       ALA  21  -0.775   3.473   1.432
  140    H    PHE  22           H        PHE  22   1.824   6.178   2.377
  141    HA   PHE  22           HA       PHE  22   3.621   6.743   0.302
  142   1HB   PHE  22          2HB       PHE  22   2.427   8.428   1.699
  143   2HB   PHE  22          1HB       PHE  22   3.451   7.986   3.062
  144    HD1  PHE  22          1HD       PHE  22   3.467   9.467  -0.316
  145    HD2  PHE  22          2HD       PHE  22   5.590   8.853   3.305
  146    HE1  PHE  22          1HE       PHE  22   5.118  11.153  -1.011
  147    HE2  PHE  22          2HE       PHE  22   7.248  10.549   2.629
  148    HZ   PHE  22           HZ       PHE  22   7.015  11.693   0.463
  149    H    SER  23           H        SER  23   4.004   5.518   3.556
  150    HA   SER  23           HA       SER  23   6.874   5.543   3.541
  151   1HB   SER  23          2HB       SER  23   4.757   4.476   5.337
  152   2HB   SER  23          1HB       SER  23   6.299   3.624   5.374
  153    HG   SER  23           HG       SER  23   6.092   6.434   5.621
  154    H    ALA  24           H        ALA  24   4.382   3.429   2.406
  155    HA   ALA  24           HA       ALA  24   6.029   1.109   2.046
  156   1HB   ALA  24          1HB       ALA  24   3.400   1.386   2.224
  157   2HB   ALA  24          2HB       ALA  24   4.132   0.067   1.310
  158   3HB   ALA  24          3HB       ALA  24   3.538   1.500   0.470
  159    H    GLY  25           H        GLY  25   4.609   3.533  -0.150
  160   1HA   GLY  25          2HA       GLY  25   5.840   2.591  -2.494
  161   2HA   GLY  25          1HA       GLY  25   5.234   4.217  -2.256
  162    H    VAL  26           H        VAL  26   6.867   5.128  -0.168
  163    HA   VAL  26           HA       VAL  26   9.143   5.952  -1.567
  164    HB   VAL  26           HB       VAL  26   8.799   5.794   1.440
  165   1HG1  VAL  26          1HG1      VAL  26  10.838   7.125  -0.301
  166   2HG1  VAL  26          2HG1      VAL  26  11.070   6.181   1.171
  167   3HG1  VAL  26          3HG1      VAL  26  10.410   7.814   1.264
  168   1HG2  VAL  26          1HG2      VAL  26   8.300   8.088  -0.434
  169   2HG2  VAL  26          2HG2      VAL  26   8.065   8.069   1.317
  170   3HG2  VAL  26          3HG2      VAL  26   7.055   7.060   0.279
  171    H    HIS  27           H        HIS  27   8.866   3.285   0.833
  172    HA   HIS  27           HA       HIS  27  11.612   2.677   0.880
  173   1HB   HIS  27          2HB       HIS  27   9.201   0.889   1.294
  174   2HB   HIS  27          1HB       HIS  27  10.859   0.364   1.560
  175    HD1  HIS  27          1HD       HIS  27   9.882   3.799   2.554
  176    HD2  HIS  27          2HD       HIS  27  10.358   0.066   4.309
  177    HE1  HIS  27          1HE       HIS  27   9.821   4.212   5.015
  178    HE2  HIS  27          2HE       HIS  27  10.061   1.934   6.075
  179    H    ARG  28           H        ARG  28   9.001   1.504  -1.183
  180    HA   ARG  28           HA       ARG  28  10.625  -0.258  -2.707
  181   1HB   ARG  28          2HB       ARG  28   8.246  -0.617  -2.559
  182   2HB   ARG  28          1HB       ARG  28   7.918   0.969  -3.234
  183   1HG   ARG  28          2HG       ARG  28   7.531  -0.666  -4.917
  184   2HG   ARG  28          1HG       ARG  28   8.983   0.238  -5.344
  185   1HD   ARG  28          2HD       ARG  28   9.230  -2.198  -5.708
  186   2HD   ARG  28          1HD       ARG  28  10.390  -1.556  -4.545
  187    HE   ARG  28           HE       ARG  28   8.246  -2.434  -3.058
  188   1HH1  ARG  28          1HH1      ARG  28  10.513  -3.866  -5.292
  189   2HH1  ARG  28          2HH1      ARG  28  10.453  -5.427  -4.542
  190   1HH2  ARG  28          1HH2      ARG  28   8.170  -4.477  -2.071
  191   2HH2  ARG  28          2HH2      ARG  28   9.122  -5.774  -2.711
  192    H    LEU  29           H        LEU  29   9.539   3.063  -3.149
  193    HA   LEU  29           HA       LEU  29  10.615   3.357  -5.765
  194   1HB   LEU  29          2HB       LEU  29   8.729   4.645  -5.251
  195   2HB   LEU  29          1HB       LEU  29   9.432   5.234  -3.759
  196    HG   LEU  29           HG       LEU  29  11.004   6.614  -5.032
  197   1HD1  LEU  29          1HD1      LEU  29   9.682   5.292  -7.378
  198   2HD1  LEU  29          2HD1      LEU  29  11.401   5.414  -7.003
  199   3HD1  LEU  29          3HD1      LEU  29  10.508   6.843  -7.523
  200   1HD2  LEU  29          1HD2      LEU  29   8.083   6.896  -5.691
  201   2HD2  LEU  29          2HD2      LEU  29   9.283   8.113  -6.128
  202   3HD2  LEU  29          3HD2      LEU  29   9.004   7.718  -4.431
  203    H    ALA  30           H        ALA  30  11.544   4.670  -2.622
  204    HA   ALA  30           HA       ALA  30  13.845   6.013  -3.543
  205   1HB   ALA  30          1HB       ALA  30  12.796   5.273  -0.846
  206   2HB   ALA  30          2HB       ALA  30  12.915   6.861  -1.601
  207   3HB   ALA  30          3HB       ALA  30  14.368   6.045  -1.026
  208    H    ASN  31           H        ASN  31  13.373   2.677  -2.658
  209    HA   ASN  31           HA       ASN  31  16.165   2.266  -2.050
  210   1HB   ASN  31          2HB       ASN  31  14.163   0.879  -1.149
  211   2HB   ASN  31          1HB       ASN  31  14.277   0.016  -2.682
  212   1HD2  ASN  31          1HD2      ASN  31  16.673  -0.581  -3.203
  213   2HD2  ASN  31          2HD2      ASN  31  17.534  -1.317  -1.899
  214    H    GLY  32           H        GLY  32  14.136   2.151  -4.850
  215   1HA   GLY  32          2HA       GLY  32  16.064   0.655  -6.421
  216   2HA   GLY  32          1HA       GLY  32  14.553   1.343  -6.999
  217    H    GLY  33           H        GLY  33  14.488   3.506  -7.672
  218   1HA   GLY  33          2HA       GLY  33  16.201   5.543  -7.492
  219   2HA   GLY  33          1HA       GLY  33  17.061   4.491  -8.607
  220    H    ASN  34           H        ASN  34  13.684   5.559  -8.194
  221    HA   ASN  34           HA       ASN  34  12.142   6.308  -9.694
  222   1HB   ASN  34          2HB       ASN  34  14.537   7.519 -11.090
  223   2HB   ASN  34          1HB       ASN  34  12.866   8.064 -11.191
  224   1HD2  ASN  34          1HD2      ASN  34  15.657   8.987 -10.034
  225   2HD2  ASN  34          2HD2      ASN  34  15.188   9.754  -8.559
  226    H    GLY  35           H        GLY  35  11.390   4.436 -10.647
  227   1HA   GLY  35          2HA       GLY  35  11.928   4.102 -13.419
  228   2HA   GLY  35          1HA       GLY  35  12.705   2.832 -12.488
  229    H    PHE  36           H        PHE  36   9.921   3.761 -14.062
  230    HA   PHE  36           HA       PHE  36   7.798   2.967 -14.217
  231   1HB   PHE  36          2HB       PHE  36   7.590   0.578 -14.291
  232   2HB   PHE  36          1HB       PHE  36   9.177   1.002 -14.920
  233    HD1  PHE  36          1HD       PHE  36  11.112   0.103 -13.991
  234    HD2  PHE  36          2HD       PHE  36   7.417  -0.220 -11.918
  235    HE1  PHE  36          1HE       PHE  36  12.160  -1.437 -12.380
  236    HE2  PHE  36          2HE       PHE  36   8.454  -1.763 -10.297
  237    HZ   PHE  36           HZ       PHE  36  10.829  -2.370 -10.529
  238    H    TRP  37           H        TRP  37   6.029   1.636 -13.053
  239    HA   TRP  37           HA       TRP  37   4.699   1.290 -11.234
  240   1HB   TRP  37          2HB       TRP  37   7.019   0.544 -10.208
  241   2HB   TRP  37          1HB       TRP  37   6.849   2.041  -9.298
  242    HD1  TRP  37           HD       TRP  37   5.216   2.034  -7.268
  243    HE1  TRP  37          1HE       TRP  37   3.706   0.251  -6.187
  244    HE3  TRP  37          3HE       TRP  37   5.517  -1.582 -10.870
  245    HZ2  TRP  37          2HZ       TRP  37   2.768  -2.343  -6.781
  246    HZ3  TRP  37          3HZ       TRP  37   4.284  -3.686 -10.535
  247    HH2  TRP  37           HH       TRP  37   2.939  -4.057  -8.533